smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC001560460074 937213331 /nfs/dbraw/zinc/21/33/31/937213331.db2.gz SHYQZZRGRXXTPU-JKSUJKDBSA-N 1 3 264.457 3.443 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[NH2+]CCCN1CCCCC1 ZINC001308186224 933068200 /nfs/dbraw/zinc/06/82/00/933068200.db2.gz TUBSKQNUMSKYPE-UHFFFAOYSA-N 1 3 285.435 3.141 20 30 CGEDHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000591570978 346928876 /nfs/dbraw/zinc/92/88/76/346928876.db2.gz NQYHZHASJANZDI-CHWSQXEVSA-N 1 3 294.402 3.132 20 30 CGEDHO CC[NH+](CC)CC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000047977809 345057916 /nfs/dbraw/zinc/05/79/16/345057916.db2.gz JUMQLAFXASIBOE-UHFFFAOYSA-N 1 3 285.435 3.112 20 30 CGEDHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606538 347201784 /nfs/dbraw/zinc/20/17/84/347201784.db2.gz IPBATKNSIYBFQP-QAPCUYQASA-N 1 3 299.462 3.260 20 30 CGEDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606538 347201788 /nfs/dbraw/zinc/20/17/88/347201788.db2.gz IPBATKNSIYBFQP-QAPCUYQASA-N 1 3 299.462 3.260 20 30 CGEDHO CC(C)[N@H+](C)CC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000609133552 348336865 /nfs/dbraw/zinc/33/68/65/348336865.db2.gz UTFYRSHNJYZEDH-UHFFFAOYSA-N 1 3 285.435 3.110 20 30 CGEDHO CC(C)[N@@H+](C)CC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000609133552 348336868 /nfs/dbraw/zinc/33/68/68/348336868.db2.gz UTFYRSHNJYZEDH-UHFFFAOYSA-N 1 3 285.435 3.110 20 30 CGEDHO CC(C)N1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755521 349282315 /nfs/dbraw/zinc/28/23/15/349282315.db2.gz KGXLQPLMMWTNHU-UHFFFAOYSA-N 1 3 291.826 3.174 20 30 CGEDHO N#CC1CCC(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000335024161 283050055 /nfs/dbraw/zinc/05/00/55/283050055.db2.gz XBJHWKYWWFZPHC-YCUKKYJWSA-N 1 3 269.392 3.051 20 30 CGEDHO C[NH+](C)CCCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000131287542 371095850 /nfs/dbraw/zinc/09/58/50/371095850.db2.gz QVJKFRQNHNHMOS-UHFFFAOYSA-N 1 3 291.464 3.174 20 30 CGEDHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000422977666 371899071 /nfs/dbraw/zinc/89/90/71/371899071.db2.gz XEOYWBDJRYDRRG-OLZOCXBDSA-N 1 3 294.402 3.132 20 30 CGEDHO C=C(CC)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449736557 373863212 /nfs/dbraw/zinc/86/32/12/373863212.db2.gz VVIOLWVWUWWRHF-UHFFFAOYSA-N 1 3 250.430 3.339 20 30 CGEDHO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000180949407 374062900 /nfs/dbraw/zinc/06/29/00/374062900.db2.gz VCCUCFSRIOEBDB-GJZGRUSLSA-N 1 3 276.424 3.242 20 30 CGEDHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185821355 374744740 /nfs/dbraw/zinc/74/47/40/374744740.db2.gz BOUUWYXAQLWJJJ-MAUKXSAKSA-N 1 3 285.435 3.310 20 30 CGEDHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185821355 374744745 /nfs/dbraw/zinc/74/47/45/374744745.db2.gz BOUUWYXAQLWJJJ-MAUKXSAKSA-N 1 3 285.435 3.310 20 30 CGEDHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CCCCC#N)CC1 ZINC000363538565 382232790 /nfs/dbraw/zinc/23/27/90/382232790.db2.gz VXWTWBHGUOCRDU-RDJZCZTQSA-N 1 3 277.456 3.313 20 30 CGEDHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCCC#N)CC1 ZINC000363538565 382232794 /nfs/dbraw/zinc/23/27/94/382232794.db2.gz VXWTWBHGUOCRDU-RDJZCZTQSA-N 1 3 277.456 3.313 20 30 CGEDHO C=CCCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426824368 393452773 /nfs/dbraw/zinc/45/27/73/393452773.db2.gz HSIZMDLASMKTMD-IRXDYDNUSA-N 1 3 294.483 3.164 20 30 CGEDHO C=CCN(CCC1CC[NH2+]CC1)Cc1ccc(OC)cc1 ZINC000359224366 393541305 /nfs/dbraw/zinc/54/13/05/393541305.db2.gz SJIHONAXJNZMES-UHFFFAOYSA-N 1 3 288.435 3.073 20 30 CGEDHO CC[NH+]1CCC(N[C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360840255 393595372 /nfs/dbraw/zinc/59/53/72/393595372.db2.gz MQTCYCVQZVIKOE-LJQANCHMSA-N 1 3 297.446 3.400 20 30 CGEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000657824386 419373390 /nfs/dbraw/zinc/37/33/90/419373390.db2.gz QHZBGBSJAJIHOK-JKSUJKDBSA-N 1 3 250.430 3.197 20 30 CGEDHO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467301 419621085 /nfs/dbraw/zinc/62/10/85/419621085.db2.gz DSRDWGZVIPRVKG-IRXDYDNUSA-N 1 3 264.457 3.443 20 30 CGEDHO C=C(C)COCCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340305515 263107851 /nfs/dbraw/zinc/10/78/51/263107851.db2.gz LHXNYXWLZSEIHF-ROUUACIJSA-N 1 3 288.435 3.004 20 30 CGEDHO C=C(C)COCCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340305515 263107852 /nfs/dbraw/zinc/10/78/52/263107852.db2.gz LHXNYXWLZSEIHF-ROUUACIJSA-N 1 3 288.435 3.004 20 30 CGEDHO C[N@H+](CCC(C)(C)C#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000119700191 263276745 /nfs/dbraw/zinc/27/67/45/263276745.db2.gz FLVBNIZMCCBJPZ-GOSISDBHSA-N 1 3 299.462 3.380 20 30 CGEDHO C[N@@H+](CCC(C)(C)C#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000119700191 263276748 /nfs/dbraw/zinc/27/67/48/263276748.db2.gz FLVBNIZMCCBJPZ-GOSISDBHSA-N 1 3 299.462 3.380 20 30 CGEDHO C=C(C)C[NH+]1CCC(NC/C=C\c2ccccc2)CC1 ZINC000519282055 265386917 /nfs/dbraw/zinc/38/69/17/265386917.db2.gz XSQZDEMXWLIALY-TWGQIWQCSA-N 1 3 270.420 3.330 20 30 CGEDHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000423292851 274241273 /nfs/dbraw/zinc/24/12/73/274241273.db2.gz ORIHJLOBRSQGHT-YJYMSZOUSA-N 1 3 291.398 3.355 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000192678925 278003599 /nfs/dbraw/zinc/00/35/99/278003599.db2.gz XZSATMDYQDJBLM-VVLHAWIVSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000192678925 278003600 /nfs/dbraw/zinc/00/36/00/278003600.db2.gz XZSATMDYQDJBLM-VVLHAWIVSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000192678925 278003601 /nfs/dbraw/zinc/00/36/01/278003601.db2.gz XZSATMDYQDJBLM-VVLHAWIVSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000423292848 278319123 /nfs/dbraw/zinc/31/91/23/278319123.db2.gz ORIHJLOBRSQGHT-BFUOFWGJSA-N 1 3 291.398 3.355 20 30 CGEDHO N#C[C@H]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000442653089 330778247 /nfs/dbraw/zinc/77/82/47/330778247.db2.gz QXFJUMQULLIYBW-OALUTQOASA-N 1 3 297.446 3.454 20 30 CGEDHO C=CCOc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1Cl ZINC000491543292 332233785 /nfs/dbraw/zinc/23/37/85/332233785.db2.gz GKZRQMQCTRQTKZ-CYBMUJFWSA-N 1 3 296.842 3.192 20 30 CGEDHO CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)CC(C)C ZINC000248903169 334321633 /nfs/dbraw/zinc/32/16/33/334321633.db2.gz UPUSYXHQZKSFIW-ZACQAIPSSA-N 1 3 279.472 3.415 20 30 CGEDHO C=C1CCC(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000925835549 619287264 /nfs/dbraw/zinc/28/72/64/619287264.db2.gz RCFRDNOYCWZKAZ-ZDUSSCGKSA-N 1 3 273.424 3.246 20 30 CGEDHO C[C@H](CC(C)(C)C#N)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000925305329 620394707 /nfs/dbraw/zinc/39/47/07/620394707.db2.gz BRBVQRLBFHNKFI-CYBMUJFWSA-N 1 3 265.445 3.167 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NC1CC[NH+](C(C)(C)C)CC1 ZINC000925305329 620394709 /nfs/dbraw/zinc/39/47/09/620394709.db2.gz BRBVQRLBFHNKFI-CYBMUJFWSA-N 1 3 265.445 3.167 20 30 CGEDHO N#CCCCN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902373399 621279129 /nfs/dbraw/zinc/27/91/29/621279129.db2.gz DDUBBRWEJOVUMF-HNNXBMFYSA-N 1 3 281.350 3.028 20 30 CGEDHO C#Cc1ccc(CNCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000809603660 630759518 /nfs/dbraw/zinc/75/95/18/630759518.db2.gz SUKBVBQZEWXLOF-UHFFFAOYSA-N 1 3 292.426 3.280 20 30 CGEDHO C#Cc1ccc(CNCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000809603660 630759521 /nfs/dbraw/zinc/75/95/21/630759521.db2.gz SUKBVBQZEWXLOF-UHFFFAOYSA-N 1 3 292.426 3.280 20 30 CGEDHO C#CCCCCCC[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000877020260 634952753 /nfs/dbraw/zinc/95/27/53/634952753.db2.gz NCAHGMNXJZSPDM-QGZVFWFLSA-N 1 3 264.457 3.280 20 30 CGEDHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000848541305 636597681 /nfs/dbraw/zinc/59/76/81/636597681.db2.gz WMMQABXARYTXOR-MSOLQXFVSA-N 1 3 299.462 3.450 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667334 638385709 /nfs/dbraw/zinc/38/57/09/638385709.db2.gz KZXPFYPFRWENOQ-RBSFLKMASA-N 1 3 265.445 3.025 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000924667334 638385715 /nfs/dbraw/zinc/38/57/15/638385715.db2.gz KZXPFYPFRWENOQ-RBSFLKMASA-N 1 3 265.445 3.025 20 30 CGEDHO CCCCCCCC[C@@H](O)C[NH2+]CC[C@@H]1CCCN1C ZINC001252134619 806019582 /nfs/dbraw/zinc/01/95/82/806019582.db2.gz SCFWCZLFMWXZBB-DLBZAZTESA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@@H](O)CNCC[C@@H]1CCC[N@@H+]1C ZINC001252134619 806019591 /nfs/dbraw/zinc/01/95/91/806019591.db2.gz SCFWCZLFMWXZBB-DLBZAZTESA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@@H](O)CNCC[C@@H]1CCC[N@H+]1C ZINC001252134619 806019601 /nfs/dbraw/zinc/01/96/01/806019601.db2.gz SCFWCZLFMWXZBB-DLBZAZTESA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN[C@H]1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001245980952 804094208 /nfs/dbraw/zinc/09/42/08/804094208.db2.gz DSPBUCMMBJMACN-FJIDUMEYSA-N 1 3 296.499 3.218 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN[C@@H](CC)C1C[NH2+]C1 ZINC001246020195 804100544 /nfs/dbraw/zinc/10/05/44/804100544.db2.gz MZXICCXUDSRGBY-MSOLQXFVSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCCCCCC[C@H](O)CN1CCC[C@@](C)(C[NH3+])C1 ZINC001246057732 804104262 /nfs/dbraw/zinc/10/42/62/804104262.db2.gz GMBWPWWEEJDJED-IRXDYDNUSA-N 1 3 284.488 3.159 20 30 CGEDHO CCCCCCCC[C@H](O)C[N@H+](C)[C@H]1CCCC[C@@H]1N ZINC001246059880 804105397 /nfs/dbraw/zinc/10/53/97/804105397.db2.gz CBNLYXVKYNJHHY-ULQDDVLXSA-N 1 3 284.488 3.300 20 30 CGEDHO CCCCCCCC[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@@H]1N ZINC001246059880 804105402 /nfs/dbraw/zinc/10/54/02/804105402.db2.gz CBNLYXVKYNJHHY-ULQDDVLXSA-N 1 3 284.488 3.300 20 30 CGEDHO CCCCCCC[C@@H](CC)[NH2+]C[C@@]1(O)CCCCNC1 ZINC001246096907 804129525 /nfs/dbraw/zinc/12/95/25/804129525.db2.gz MEGPEBNYOHZBTH-IAGOWNOFSA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCCCCC[C@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246561570 804410012 /nfs/dbraw/zinc/41/00/12/804410012.db2.gz WFFYXKZLYRPYGF-GVDBMIGSSA-N 1 3 284.488 3.300 20 30 CGEDHO CCCCCCCCCC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246561570 804410016 /nfs/dbraw/zinc/41/00/16/804410016.db2.gz WFFYXKZLYRPYGF-GVDBMIGSSA-N 1 3 284.488 3.300 20 30 CGEDHO CCCCCCCCCC[C@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246561570 804410021 /nfs/dbraw/zinc/41/00/21/804410021.db2.gz WFFYXKZLYRPYGF-GVDBMIGSSA-N 1 3 284.488 3.300 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CCC[C@]34CCCNC4)C[C@H](C1)C2 ZINC001246611608 804445246 /nfs/dbraw/zinc/44/52/46/804445246.db2.gz URSRIPZAWIMTAQ-WFFDWFOESA-N 1 3 274.452 3.339 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CCC[C@]34CCCNC4)C[C@H](C1)C2 ZINC001246611608 804445250 /nfs/dbraw/zinc/44/52/50/804445250.db2.gz URSRIPZAWIMTAQ-WFFDWFOESA-N 1 3 274.452 3.339 20 30 CGEDHO CCCCCCC[C@H](CCC)[NH+]1CC2(CNC2)C1 ZINC001246613501 804446482 /nfs/dbraw/zinc/44/64/82/804446482.db2.gz JOGJNLPYTCFOQJ-HNNXBMFYSA-N 1 3 252.446 3.421 20 30 CGEDHO C[Si](C)(C)C#CN(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170624236 807867256 /nfs/dbraw/zinc/86/72/56/807867256.db2.gz FJORDIJVQJKRJU-UHFFFAOYSA-N 1 3 290.527 3.054 20 30 CGEDHO CCc1cc(C#N)ccc1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222320190 816408275 /nfs/dbraw/zinc/40/82/75/816408275.db2.gz CPQSFYQYAXIOHU-IBGZPJMESA-N 1 3 297.446 3.229 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@]3(C2)CNCC[C@H]3F)CC1 ZINC001235411027 819089762 /nfs/dbraw/zinc/08/97/62/819089762.db2.gz ZSFUCMXGXZDUCW-KURKYZTESA-N 1 3 292.442 3.313 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(C2)CNCC[C@H]3F)CC1 ZINC001235411027 819089771 /nfs/dbraw/zinc/08/97/71/819089771.db2.gz ZSFUCMXGXZDUCW-KURKYZTESA-N 1 3 292.442 3.313 20 30 CGEDHO C=CCCCCCCC[N@@H+](C)C[C@@H]1CCCNC1 ZINC001235950344 819240166 /nfs/dbraw/zinc/24/01/66/819240166.db2.gz BIRYUNWXWIPHOE-MRXNPFEDSA-N 1 3 252.446 3.444 20 30 CGEDHO C=CCCCCCCC[N@H+](C)C[C@@H]1CCCNC1 ZINC001235950344 819240170 /nfs/dbraw/zinc/24/01/70/819240170.db2.gz BIRYUNWXWIPHOE-MRXNPFEDSA-N 1 3 252.446 3.444 20 30 CGEDHO N#CCC1CCC([NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC001173333072 928229857 /nfs/dbraw/zinc/22/98/57/928229857.db2.gz XGJSMBRXMNDZCW-UHFFFAOYSA-N 1 3 289.467 3.409 20 30 CGEDHO CCN(C[C@H]1CCCC[NH2+]C1)[C@H](C)c1ccc(C#N)cc1 ZINC001577707504 962561575 /nfs/dbraw/zinc/56/15/75/962561575.db2.gz MNUMCJHOGXZNAQ-WBVHZDCISA-N 1 3 285.435 3.331 20 30 CGEDHO C=CCCSCC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000596649744 347498643 /nfs/dbraw/zinc/49/86/43/347498643.db2.gz GNHNKLJXSHJQHC-HUUCEWRRSA-N 1 3 262.422 3.030 20 30 CGEDHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391534 348444366 /nfs/dbraw/zinc/44/43/66/348444366.db2.gz MZYBNJJLHSKAQM-VQIMIIECSA-N 1 3 297.446 3.257 20 30 CGEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC3CC3)CC1)CC2 ZINC000353410105 220066808 /nfs/dbraw/zinc/06/68/08/220066808.db2.gz GLGYBGZVOMEKLQ-LJQANCHMSA-N 1 3 295.430 3.010 20 30 CGEDHO C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)CN1CCCCC1 ZINC000449086283 373662006 /nfs/dbraw/zinc/66/20/06/373662006.db2.gz BUESIPURBIKYLW-GTPINHCMSA-N 1 3 277.456 3.170 20 30 CGEDHO CC1(C#N)CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000335582514 375331689 /nfs/dbraw/zinc/33/16/89/375331689.db2.gz URDGIMQDEOVTJR-UHFFFAOYSA-N 1 3 289.467 3.455 20 30 CGEDHO N#C[C@H]1CCC[C@@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000192932001 375804948 /nfs/dbraw/zinc/80/49/48/375804948.db2.gz IJTNNKLLHPFDLH-GOEBONIOSA-N 1 3 275.440 3.065 20 30 CGEDHO N#C[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000192932001 375804951 /nfs/dbraw/zinc/80/49/51/375804951.db2.gz IJTNNKLLHPFDLH-GOEBONIOSA-N 1 3 275.440 3.065 20 30 CGEDHO C=C(CC)C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000539106046 376295585 /nfs/dbraw/zinc/29/55/85/376295585.db2.gz XGHUGXLOJBSJJE-IRXDYDNUSA-N 1 3 294.483 3.164 20 30 CGEDHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000245949344 376942632 /nfs/dbraw/zinc/94/26/32/376942632.db2.gz WEEFCDIVKYVRKZ-WBVHZDCISA-N 1 3 285.435 3.329 20 30 CGEDHO CN1CC[C@@]2(C1)CCC[N@H+](CCC1(C#N)CCCCC1)C2 ZINC000595505845 378402492 /nfs/dbraw/zinc/40/24/92/378402492.db2.gz ZLQAJFUNABLPFL-GOSISDBHSA-N 1 3 289.467 3.268 20 30 CGEDHO CN1CC[C@@]2(C1)CCC[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC000595505845 378402493 /nfs/dbraw/zinc/40/24/93/378402493.db2.gz ZLQAJFUNABLPFL-GOSISDBHSA-N 1 3 289.467 3.268 20 30 CGEDHO C=CCOc1cccc(CN2CCC(CC[NH2+]C)CC2)c1 ZINC000346642377 378658076 /nfs/dbraw/zinc/65/80/76/378658076.db2.gz CCSDNLKKAGDZBQ-UHFFFAOYSA-N 1 3 288.435 3.073 20 30 CGEDHO CC[C@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccc(C#N)cc1 ZINC000278339074 379354382 /nfs/dbraw/zinc/35/43/82/379354382.db2.gz XFGPHKNCAQSXDB-YJBOKZPZSA-N 1 3 285.435 3.331 20 30 CGEDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353268316 380199738 /nfs/dbraw/zinc/19/97/38/380199738.db2.gz REZNSAUSJSRTPL-LZLYRXPVSA-N 1 3 283.419 3.008 20 30 CGEDHO CN(C)CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000421352442 380891631 /nfs/dbraw/zinc/89/16/31/380891631.db2.gz DHNQJFXVRPKVSV-MRXNPFEDSA-N 1 3 291.414 3.153 20 30 CGEDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417385662 393349544 /nfs/dbraw/zinc/34/95/44/393349544.db2.gz MEYRCDVRWLKVKH-OHHBCXFOSA-N 1 3 297.446 3.254 20 30 CGEDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417385662 393349551 /nfs/dbraw/zinc/34/95/51/393349551.db2.gz MEYRCDVRWLKVKH-OHHBCXFOSA-N 1 3 297.446 3.254 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000360830615 393594679 /nfs/dbraw/zinc/59/46/79/393594679.db2.gz DIHYAJUZDUPYPM-IBGZPJMESA-N 1 3 297.446 3.401 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000678698229 543549706 /nfs/dbraw/zinc/54/97/06/543549706.db2.gz NJUFRHCJAXQUPZ-HRCADAONSA-N 1 3 250.430 3.338 20 30 CGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000657531421 419299806 /nfs/dbraw/zinc/29/98/06/419299806.db2.gz YRFAFGTXAWMFGY-VQHPVUNQSA-N 1 3 262.441 3.338 20 30 CGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(CCC)C1 ZINC000657844210 419386581 /nfs/dbraw/zinc/38/65/81/419386581.db2.gz HNXVDJBCYLTRDC-BBWFWOEESA-N 1 3 264.457 3.443 20 30 CGEDHO C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000658114937 419588622 /nfs/dbraw/zinc/58/86/22/419588622.db2.gz SKTDYOFJMSABFP-GUDVDZBRSA-N 1 3 284.447 3.453 20 30 CGEDHO C=CCOc1ccccc1C[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000161498905 264286976 /nfs/dbraw/zinc/28/69/76/264286976.db2.gz QTSXYPRWUFRFSS-NVXWUHKLSA-N 1 3 288.435 3.071 20 30 CGEDHO CC[NH+]1CCC(N[C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360840254 276152085 /nfs/dbraw/zinc/15/20/85/276152085.db2.gz MQTCYCVQZVIKOE-IBGZPJMESA-N 1 3 297.446 3.400 20 30 CGEDHO C[C@H](C[C@H](C)[NH3+])N[C@H](CCCC#N)c1ccccc1 ZINC000423126881 330171571 /nfs/dbraw/zinc/17/15/71/330171571.db2.gz JFNYWGVSPIFKIW-SQWLQELKSA-N 1 3 259.397 3.137 20 30 CGEDHO C=CCC1(C[NH2+][C@H]2CCNCC[C@H]2C)CCCC1 ZINC000423168514 330174123 /nfs/dbraw/zinc/17/41/23/330174123.db2.gz YFLGZFWTPXSCQR-CABCVRRESA-N 1 3 250.430 3.101 20 30 CGEDHO C=CCC[C@@H](CC)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423500658 330208444 /nfs/dbraw/zinc/20/84/44/330208444.db2.gz CWZHFKTZFBXSFH-IXDOHACOSA-N 1 3 258.409 3.076 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CCC[C@H](C#N)C2)C1 ZINC000249052850 334325969 /nfs/dbraw/zinc/32/59/69/334325969.db2.gz XZSATMDYQDJBLM-YVSFHVDLSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCC[C@H](C#N)C2)C1 ZINC000249052850 334325970 /nfs/dbraw/zinc/32/59/70/334325970.db2.gz XZSATMDYQDJBLM-YVSFHVDLSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000249052850 334325971 /nfs/dbraw/zinc/32/59/71/334325971.db2.gz XZSATMDYQDJBLM-YVSFHVDLSA-N 1 3 277.456 3.026 20 30 CGEDHO N#CC1(CCCCN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCC1 ZINC000903739954 621801149 /nfs/dbraw/zinc/80/11/49/621801149.db2.gz BRFVZFVIHPUAMA-DLBZAZTESA-N 1 3 289.467 3.315 20 30 CGEDHO CCCCCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000760882594 626999555 /nfs/dbraw/zinc/99/95/55/626999555.db2.gz UAWOFOVJHGLCTM-UHFFFAOYSA-N 1 3 261.413 3.174 20 30 CGEDHO C#CCCCCCC[NH2+]C1CCN(CC(C)C)CC1 ZINC000876924284 634929641 /nfs/dbraw/zinc/92/96/41/634929641.db2.gz KZHTYNWJNMIYSK-UHFFFAOYSA-N 1 3 264.457 3.280 20 30 CGEDHO C#CCCCCCC[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000877073197 634972924 /nfs/dbraw/zinc/97/29/24/634972924.db2.gz FHFQYIJYLWZSKR-HZPDHXFCSA-N 1 3 250.430 3.033 20 30 CGEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000850172739 636972849 /nfs/dbraw/zinc/97/28/49/636972849.db2.gz DEIZCQZLPIMLAJ-QZTJIDSGSA-N 1 3 297.446 3.204 20 30 CGEDHO C=CCCSCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925710335 638575337 /nfs/dbraw/zinc/57/53/37/638575337.db2.gz WPUFHDYRGZIVQY-JKSUJKDBSA-N 1 3 282.497 3.054 20 30 CGEDHO CN1CCC[C@@H]1CC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612266 639469415 /nfs/dbraw/zinc/46/94/15/639469415.db2.gz YMMVIUHVEBEQDZ-LJQANCHMSA-N 1 3 297.446 3.222 20 30 CGEDHO C[N@@H+]1CCC[C@@H]1CCN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612266 639469419 /nfs/dbraw/zinc/46/94/19/639469419.db2.gz YMMVIUHVEBEQDZ-LJQANCHMSA-N 1 3 297.446 3.222 20 30 CGEDHO C[N@H+]1CCC[C@@H]1CCN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612266 639469423 /nfs/dbraw/zinc/46/94/23/639469423.db2.gz YMMVIUHVEBEQDZ-LJQANCHMSA-N 1 3 297.446 3.222 20 30 CGEDHO C#CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716719016 800178171 /nfs/dbraw/zinc/17/81/71/800178171.db2.gz PYVFALPZQOQDCT-FHWLQOOXSA-N 1 3 282.431 3.043 20 30 CGEDHO C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716713293 800179220 /nfs/dbraw/zinc/17/92/20/800179220.db2.gz NNDHVLMXBVMMSC-KSZLIROESA-N 1 3 270.420 3.205 20 30 CGEDHO CCCCCCCCCC[C@H](O)CNC[C@H]1C[NH2+][C@H](C)C1 ZINC001245995070 804094847 /nfs/dbraw/zinc/09/48/47/804094847.db2.gz SDCXQKXYPRTMGS-SQNIBIBYSA-N 1 3 298.515 3.466 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001246026101 804101016 /nfs/dbraw/zinc/10/10/16/804101016.db2.gz ZHYSXSXTEFCQCG-ROUUACIJSA-N 1 3 296.499 3.325 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001246026101 804101018 /nfs/dbraw/zinc/10/10/18/804101018.db2.gz ZHYSXSXTEFCQCG-ROUUACIJSA-N 1 3 296.499 3.325 20 30 CGEDHO CCCCCCC[C@H](CC)[NH2+][C@@H]1CNCC12CC2 ZINC001246136730 804160820 /nfs/dbraw/zinc/16/08/20/804160820.db2.gz XRJZBVLTIBGRAX-LSDHHAIUSA-N 1 3 252.446 3.467 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CCCC34CCNCC4)C[C@H](C1)C2 ZINC001246654757 804480141 /nfs/dbraw/zinc/48/01/41/804480141.db2.gz NNRHPECGDFFSQX-SJPCQFCGSA-N 1 3 274.452 3.339 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CCCC34CCNCC4)C[C@H](C1)C2 ZINC001246654757 804480143 /nfs/dbraw/zinc/48/01/43/804480143.db2.gz NNRHPECGDFFSQX-SJPCQFCGSA-N 1 3 274.452 3.339 20 30 CGEDHO N#CC1CCC([NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC001256965326 807018994 /nfs/dbraw/zinc/01/89/94/807018994.db2.gz RJWLFYXILKYJOS-UHFFFAOYSA-N 1 3 275.440 3.019 20 30 CGEDHO C=C(C)C[N@@H+](CC)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246852296 804561804 /nfs/dbraw/zinc/56/18/04/804561804.db2.gz OPNASYBRJDXQTD-ROUUACIJSA-N 1 3 272.436 3.248 20 30 CGEDHO C=C(C)C[N@H+](CC)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246852296 804561810 /nfs/dbraw/zinc/56/18/10/804561810.db2.gz OPNASYBRJDXQTD-ROUUACIJSA-N 1 3 272.436 3.248 20 30 CGEDHO C=CCCCC[N@@H+](C)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246868603 804571342 /nfs/dbraw/zinc/57/13/42/804571342.db2.gz BFNRMMKWUYVEIZ-CABCVRRESA-N 1 3 252.446 3.441 20 30 CGEDHO C=CCCCC[N@H+](C)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246868603 804571345 /nfs/dbraw/zinc/57/13/45/804571345.db2.gz BFNRMMKWUYVEIZ-CABCVRRESA-N 1 3 252.446 3.441 20 30 CGEDHO CCCCCCC[C@@H](CC)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947484 804613679 /nfs/dbraw/zinc/61/36/79/804613679.db2.gz KRROFMMTQJRCBX-WCVJEAGWSA-N 1 3 252.446 3.275 20 30 CGEDHO CC(C)[N@H+](CCCN)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170358856 807829767 /nfs/dbraw/zinc/82/97/67/807829767.db2.gz AOIIXTKLHSVMHS-UHFFFAOYSA-N 1 3 299.462 3.450 20 30 CGEDHO CC(C)[N@@H+](CCCN)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170358856 807829776 /nfs/dbraw/zinc/82/97/76/807829776.db2.gz AOIIXTKLHSVMHS-UHFFFAOYSA-N 1 3 299.462 3.450 20 30 CGEDHO CC1(C#N)CCC([NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC001173592465 808648352 /nfs/dbraw/zinc/64/83/52/808648352.db2.gz PMHVCHVWMIIYBV-UHFFFAOYSA-N 1 3 289.467 3.409 20 30 CGEDHO C[C@]1(C[NH3+])CCCN(Cc2cc(C#N)ccc2Cl)CC1 ZINC001206312052 813285399 /nfs/dbraw/zinc/28/53/99/813285399.db2.gz YQDDJRXNTCNNEU-INIZCTEOSA-N 1 3 291.826 3.163 20 30 CGEDHO CCCCCCCCCCN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492073 816455621 /nfs/dbraw/zinc/45/56/21/816455621.db2.gz NONWYVKREZTSIC-ROUUACIJSA-N 1 3 295.515 3.153 20 30 CGEDHO C=CC[C@H](C)[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC001473132246 937793813 /nfs/dbraw/zinc/79/38/13/937793813.db2.gz CYPWKLDNOQPRTP-DLBZAZTESA-N 1 3 264.457 3.395 20 30 CGEDHO C=CC[C@H](C)[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC001473132246 937793815 /nfs/dbraw/zinc/79/38/15/937793815.db2.gz CYPWKLDNOQPRTP-DLBZAZTESA-N 1 3 264.457 3.395 20 30 CGEDHO C=CC[C@H](C)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132246 937793816 /nfs/dbraw/zinc/79/38/16/937793816.db2.gz CYPWKLDNOQPRTP-DLBZAZTESA-N 1 3 264.457 3.395 20 30 CGEDHO CC(C)[NH+]1CCC(NC(C)(C)c2ccc(C#N)cc2)CC1 ZINC001257204865 960427187 /nfs/dbraw/zinc/42/71/87/960427187.db2.gz RJQHROSCPYBYFV-UHFFFAOYSA-N 1 3 285.435 3.256 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576301208 962451730 /nfs/dbraw/zinc/45/17/30/962451730.db2.gz NHPSDXIYWOXNSR-FHLIZLRMSA-N 1 3 283.419 3.070 20 30 CGEDHO C[N@@H+]1C[C@@H](CN[C@@H]2CCC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404318 346985282 /nfs/dbraw/zinc/98/52/82/346985282.db2.gz XMFXXROJZBEGEP-AITUJVMLSA-N 1 3 297.446 3.004 20 30 CGEDHO C[N@H+]1C[C@@H](CN[C@@H]2CCC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404318 346985283 /nfs/dbraw/zinc/98/52/83/346985283.db2.gz XMFXXROJZBEGEP-AITUJVMLSA-N 1 3 297.446 3.004 20 30 CGEDHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606537 347202248 /nfs/dbraw/zinc/20/22/48/347202248.db2.gz IPBATKNSIYBFQP-MAUKXSAKSA-N 1 3 299.462 3.260 20 30 CGEDHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606537 347202251 /nfs/dbraw/zinc/20/22/51/347202251.db2.gz IPBATKNSIYBFQP-MAUKXSAKSA-N 1 3 299.462 3.260 20 30 CGEDHO N#Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000596653034 347498254 /nfs/dbraw/zinc/49/82/54/347498254.db2.gz YSHPJXRVXXHJGA-GUDVDZBRSA-N 1 3 297.446 3.001 20 30 CGEDHO C[C@H](CCC#N)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000602451649 347960233 /nfs/dbraw/zinc/96/02/33/347960233.db2.gz RBKRFQKDYDDFSD-QZTJIDSGSA-N 1 3 291.483 3.370 20 30 CGEDHO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000602451649 347960235 /nfs/dbraw/zinc/96/02/35/347960235.db2.gz RBKRFQKDYDDFSD-QZTJIDSGSA-N 1 3 291.483 3.370 20 30 CGEDHO C[C@H](CCC#N)C[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000602451649 347960236 /nfs/dbraw/zinc/96/02/36/347960236.db2.gz RBKRFQKDYDDFSD-QZTJIDSGSA-N 1 3 291.483 3.370 20 30 CGEDHO CN(CCCC[NH+]1CCCCC1)Cc1ccc(CC#N)cc1 ZINC000603113065 348060124 /nfs/dbraw/zinc/06/01/24/348060124.db2.gz YOXQUQYBDIHZLU-UHFFFAOYSA-N 1 3 299.462 3.451 20 30 CGEDHO C=CCC[C@H](CC)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635006568 351624762 /nfs/dbraw/zinc/62/47/62/351624762.db2.gz LYILEXSSGFJFMR-SJORKVTESA-N 1 3 260.425 3.281 20 30 CGEDHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(C#N)c1 ZINC000178176390 189095650 /nfs/dbraw/zinc/09/56/50/189095650.db2.gz QRWOANQIHHEIEO-CQSZACIVSA-N 1 3 283.419 3.083 20 30 CGEDHO CC[NH+](CC)CCC[C@H](C)NCc1ccc(C#N)cc1F ZINC000020049173 368796114 /nfs/dbraw/zinc/79/61/14/368796114.db2.gz ISKPTVFAGOAGLH-AWEZNQCLSA-N 1 3 291.414 3.297 20 30 CGEDHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000422977665 371899853 /nfs/dbraw/zinc/89/98/53/371899853.db2.gz XEOYWBDJRYDRRG-CHWSQXEVSA-N 1 3 294.402 3.132 20 30 CGEDHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000171130624 372716675 /nfs/dbraw/zinc/71/66/75/372716675.db2.gz USJZIRLDQKPXHE-OAHLLOKOSA-N 1 3 293.414 3.471 20 30 CGEDHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430343 220078179 /nfs/dbraw/zinc/07/81/79/220078179.db2.gz WIXQGEQWKACWAD-VQIMIIECSA-N 1 3 297.446 3.256 20 30 CGEDHO CC(C)(C[NH2+][C@H]1CCc2ccc(C#N)cc21)CN1CCCC1 ZINC000353648362 220222014 /nfs/dbraw/zinc/22/20/14/220222014.db2.gz ABGSRJUWWSLPHU-SFHVURJKSA-N 1 3 297.446 3.257 20 30 CGEDHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449082487 373662047 /nfs/dbraw/zinc/66/20/47/373662047.db2.gz NPTNKULBRCCRIG-VYMRPNJYSA-N 1 3 291.483 3.416 20 30 CGEDHO CC(C)N1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449131835 373663260 /nfs/dbraw/zinc/66/32/60/373663260.db2.gz PXWLKCYEZLPVHR-KLAILNCOSA-N 1 3 277.456 3.169 20 30 CGEDHO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000180950237 374062291 /nfs/dbraw/zinc/06/22/91/374062291.db2.gz ZRFYSOFTVNGEHV-GJZGRUSLSA-N 1 3 276.424 3.242 20 30 CGEDHO Cc1cc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)ccc1C#N ZINC000349153393 379174630 /nfs/dbraw/zinc/17/46/30/379174630.db2.gz RWRNEXXWPBUGSA-LJQANCHMSA-N 1 3 297.446 3.030 20 30 CGEDHO Cc1cc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)ccc1C#N ZINC000349153393 379174635 /nfs/dbraw/zinc/17/46/35/379174635.db2.gz RWRNEXXWPBUGSA-LJQANCHMSA-N 1 3 297.446 3.030 20 30 CGEDHO C#CCCC[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000376197013 379528344 /nfs/dbraw/zinc/52/83/44/379528344.db2.gz PQUFTQXHZAMGKW-RDJZCZTQSA-N 1 3 262.441 3.033 20 30 CGEDHO C#CCCCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000376197013 379528349 /nfs/dbraw/zinc/52/83/49/379528349.db2.gz PQUFTQXHZAMGKW-RDJZCZTQSA-N 1 3 262.441 3.033 20 30 CGEDHO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000366866306 382321052 /nfs/dbraw/zinc/32/10/52/382321052.db2.gz AWLQWRKMNQJGQS-SJLPKXTDSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@@H](NCC1(CC#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366866306 382321057 /nfs/dbraw/zinc/32/10/57/382321057.db2.gz AWLQWRKMNQJGQS-SJLPKXTDSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@@H](NCC1(CC#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366866306 382321062 /nfs/dbraw/zinc/32/10/62/382321062.db2.gz AWLQWRKMNQJGQS-SJLPKXTDSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000358430425 533355270 /nfs/dbraw/zinc/35/52/70/533355270.db2.gz HQTDKWONFDOCCY-CYBMUJFWSA-N 1 3 289.398 3.080 20 30 CGEDHO CN(C)Cc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000174256849 392637982 /nfs/dbraw/zinc/63/79/82/392637982.db2.gz FMODMOMSQVEBDS-UHFFFAOYSA-N 1 3 273.424 3.168 20 30 CGEDHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCSCC#N ZINC000360948952 393621357 /nfs/dbraw/zinc/62/13/57/393621357.db2.gz XQAQQRCKQGICLR-CVEARBPZSA-N 1 3 297.512 3.123 20 30 CGEDHO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)CN1CCCCC1 ZINC000038042050 174044434 /nfs/dbraw/zinc/04/44/34/174044434.db2.gz FJSPKOVBEPTSLW-HOTGVXAUSA-N 1 3 285.435 3.331 20 30 CGEDHO C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466063 419615746 /nfs/dbraw/zinc/61/57/46/419615746.db2.gz NRBPFYFNQKIVAV-GOEBONIOSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CCC[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CC1 ZINC000663469476 419620439 /nfs/dbraw/zinc/62/04/39/419620439.db2.gz PORMNSULSPDLMV-FUHWJXTLSA-N 1 3 276.468 3.443 20 30 CGEDHO C=CCOCCC[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000658210922 419660511 /nfs/dbraw/zinc/66/05/11/419660511.db2.gz YTCZOQDZPPERQA-AEFFLSMTSA-N 1 3 294.483 3.212 20 30 CGEDHO C=CCOCCCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000658210922 419660523 /nfs/dbraw/zinc/66/05/23/419660523.db2.gz YTCZOQDZPPERQA-AEFFLSMTSA-N 1 3 294.483 3.212 20 30 CGEDHO C[N@H+](CCC(C)(C)C#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000119700054 263277005 /nfs/dbraw/zinc/27/70/05/263277005.db2.gz FLVBNIZMCCBJPZ-SFHVURJKSA-N 1 3 299.462 3.380 20 30 CGEDHO C[N@@H+](CCC(C)(C)C#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000119700054 263277008 /nfs/dbraw/zinc/27/70/08/263277008.db2.gz FLVBNIZMCCBJPZ-SFHVURJKSA-N 1 3 299.462 3.380 20 30 CGEDHO CCCCN(C(=O)C(C)C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000360119834 266685774 /nfs/dbraw/zinc/68/57/74/266685774.db2.gz RGOOHIINGUQCKP-ZDUSSCGKSA-N 1 3 293.455 3.084 20 30 CGEDHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000423292850 278232445 /nfs/dbraw/zinc/23/24/45/278232445.db2.gz ORIHJLOBRSQGHT-ORAYPTAESA-N 1 3 291.398 3.355 20 30 CGEDHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccc(C#N)cc1 ZINC000278339070 280189567 /nfs/dbraw/zinc/18/95/67/280189567.db2.gz XFGPHKNCAQSXDB-MAUKXSAKSA-N 1 3 285.435 3.331 20 30 CGEDHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867726 322094348 /nfs/dbraw/zinc/09/43/48/322094348.db2.gz YHVCLCYKMCGAQM-LPHOPBHVSA-N 1 3 297.446 3.257 20 30 CGEDHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867726 322094352 /nfs/dbraw/zinc/09/43/52/322094352.db2.gz YHVCLCYKMCGAQM-LPHOPBHVSA-N 1 3 297.446 3.257 20 30 CGEDHO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000558419136 327092724 /nfs/dbraw/zinc/09/27/24/327092724.db2.gz ORDOWSHPBFZFFX-JKSUJKDBSA-N 1 3 252.446 3.441 20 30 CGEDHO N#CC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000423095725 330169748 /nfs/dbraw/zinc/16/97/48/330169748.db2.gz FUOSVMXTQIWWOG-KWXGJIJISA-N 1 3 289.467 3.217 20 30 CGEDHO C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[C@H](C#N)C1 ZINC000424190718 330323078 /nfs/dbraw/zinc/32/30/78/330323078.db2.gz GGKSQCKCLVQRHR-ZWKOTPCHSA-N 1 3 299.462 3.426 20 30 CGEDHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[C@H](C#N)C1 ZINC000424190718 330323079 /nfs/dbraw/zinc/32/30/79/330323079.db2.gz GGKSQCKCLVQRHR-ZWKOTPCHSA-N 1 3 299.462 3.426 20 30 CGEDHO C=C(C)CC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000453307878 331114202 /nfs/dbraw/zinc/11/42/02/331114202.db2.gz CJCUQQXKYJXDJR-OAHLLOKOSA-N 1 3 276.424 3.244 20 30 CGEDHO C=C(C)CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453320551 331116272 /nfs/dbraw/zinc/11/62/72/331116272.db2.gz OWRMJSYLEZDCKI-OAHLLOKOSA-N 1 3 276.424 3.244 20 30 CGEDHO CC(C)(C)N1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000135154128 334118007 /nfs/dbraw/zinc/11/80/07/334118007.db2.gz UIYTVUUTZRVRDG-UHFFFAOYSA-N 1 3 265.445 3.169 20 30 CGEDHO C[C@H](CN(C)C)[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000895380023 619817524 /nfs/dbraw/zinc/81/75/24/619817524.db2.gz XCIBOXLKRHMLEA-CRAIPNDOSA-N 1 3 285.435 3.110 20 30 CGEDHO C[C@H](CN(C)C)[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000895380023 619817525 /nfs/dbraw/zinc/81/75/25/619817525.db2.gz XCIBOXLKRHMLEA-CRAIPNDOSA-N 1 3 285.435 3.110 20 30 CGEDHO CC(C)CN1CCC([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000924627731 620546035 /nfs/dbraw/zinc/54/60/35/620546035.db2.gz CUMBOQVMFGXQKE-AWEZNQCLSA-N 1 3 265.445 3.025 20 30 CGEDHO CC(C)C[NH+]1CCC(N[C@@H](C)CC(C)(C)C#N)CC1 ZINC000924627731 620546037 /nfs/dbraw/zinc/54/60/37/620546037.db2.gz CUMBOQVMFGXQKE-AWEZNQCLSA-N 1 3 265.445 3.025 20 30 CGEDHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C#N)c1 ZINC000768262916 627471692 /nfs/dbraw/zinc/47/16/92/627471692.db2.gz LYFXICFWPJNMEO-UHFFFAOYSA-N 1 3 293.414 3.252 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C1 ZINC000845943027 636121777 /nfs/dbraw/zinc/12/17/77/636121777.db2.gz XQXRLTXDTQWFOF-LVQVYYBASA-N 1 3 250.430 3.194 20 30 CGEDHO CCCCCCCCNC(=[NH2+])NCC1(N(C)C)CCCC1 ZINC000849056861 636735108 /nfs/dbraw/zinc/73/51/08/636735108.db2.gz YXGYMAQQINKEGY-UHFFFAOYSA-N 1 3 296.503 3.335 20 30 CGEDHO CC(C)[C@H](CN[C@H](C)CC(C)(C)C#N)[NH+]1CCCC1 ZINC000924634645 638380670 /nfs/dbraw/zinc/38/06/70/638380670.db2.gz ZTYVXXIQSXXBRG-CABCVRRESA-N 1 3 265.445 3.025 20 30 CGEDHO CC[C@H](CC#N)N(Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255161257 806559466 /nfs/dbraw/zinc/55/94/66/806559466.db2.gz XCAYASHLILOXGX-KZNAEPCWSA-N 1 3 285.435 3.451 20 30 CGEDHO CN(Cc1cccc(C#N)c1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255682922 806703650 /nfs/dbraw/zinc/70/36/50/806703650.db2.gz OOZWEHBGJSKESX-JWTNVVGKSA-N 1 3 283.419 3.005 20 30 CGEDHO CN(Cc1cccc(C#N)c1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255682922 806703652 /nfs/dbraw/zinc/70/36/52/806703652.db2.gz OOZWEHBGJSKESX-JWTNVVGKSA-N 1 3 283.419 3.005 20 30 CGEDHO CCCCCCCCCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000385106543 799421675 /nfs/dbraw/zinc/42/16/75/799421675.db2.gz RDZTYJBGHLXLHU-SFHVURJKSA-N 1 3 295.515 3.107 20 30 CGEDHO CCN(CC)CC[C@@H](C)[NH2+]CCCCCCS ZINC001255953575 806796901 /nfs/dbraw/zinc/79/69/01/806796901.db2.gz STEKTSSYQQLHST-CQSZACIVSA-N 1 3 260.491 3.187 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@@H](CC)C[NH3+] ZINC001246000872 804099021 /nfs/dbraw/zinc/09/90/21/804099021.db2.gz MLEMUBBVCOGKRC-HOTGVXAUSA-N 1 3 272.477 3.205 20 30 CGEDHO CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@@H](N)C1 ZINC001246049594 804105432 /nfs/dbraw/zinc/10/54/32/804105432.db2.gz RTGVLSZLKKMFJI-ZACQAIPSSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@@H](N)C1 ZINC001246049594 804105436 /nfs/dbraw/zinc/10/54/36/804105436.db2.gz RTGVLSZLKKMFJI-ZACQAIPSSA-N 1 3 284.488 3.157 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@@H+](CCC)C1CCNCC1 ZINC001246071635 804110393 /nfs/dbraw/zinc/11/03/93/804110393.db2.gz SDNYWQABRSXECC-SFHVURJKSA-N 1 3 296.499 3.338 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@H+](CCC)C1CCNCC1 ZINC001246071635 804110399 /nfs/dbraw/zinc/11/03/99/804110399.db2.gz SDNYWQABRSXECC-SFHVURJKSA-N 1 3 296.499 3.338 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+]C1(CCOC)CCNCC1 ZINC001246385698 804315220 /nfs/dbraw/zinc/31/52/20/804315220.db2.gz CXKUSUFSQQFWQK-INIZCTEOSA-N 1 3 284.488 3.484 20 30 CGEDHO CCCCCCC[C@H](C)N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001246473894 804350903 /nfs/dbraw/zinc/35/09/03/804350903.db2.gz LIJQMZLBUNMHEY-XUWVNRHRSA-N 1 3 250.430 3.099 20 30 CGEDHO CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246655243 804480308 /nfs/dbraw/zinc/48/03/08/804480308.db2.gz GYFQVRGEKLSXHV-OAGGEKHMSA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@@H](C)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246655243 804480310 /nfs/dbraw/zinc/48/03/10/804480310.db2.gz GYFQVRGEKLSXHV-OAGGEKHMSA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCCCC[C@H](C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246660689 804483267 /nfs/dbraw/zinc/48/32/67/804483267.db2.gz IYKJUMQSSRIWAI-JONQDZQNSA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCCCC[C@H](C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246660689 804483268 /nfs/dbraw/zinc/48/32/68/804483268.db2.gz IYKJUMQSSRIWAI-JONQDZQNSA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCC[C@@H](C)N1CCCC2(C[NH2+]C2)C1 ZINC001246789646 804513674 /nfs/dbraw/zinc/51/36/74/804513674.db2.gz DGMDKXDAKCAPMU-OAHLLOKOSA-N 1 3 252.446 3.421 20 30 CGEDHO CCCCCCC[C@@H](C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246789646 804513678 /nfs/dbraw/zinc/51/36/78/804513678.db2.gz DGMDKXDAKCAPMU-OAHLLOKOSA-N 1 3 252.446 3.421 20 30 CGEDHO CCCCCCC[C@@H](C)[N@H+]1CCCC2(CNC2)C1 ZINC001246789646 804513680 /nfs/dbraw/zinc/51/36/80/804513680.db2.gz DGMDKXDAKCAPMU-OAHLLOKOSA-N 1 3 252.446 3.421 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3C[C@H]4CCN(C)C[C@H]4C3)C[C@H](C1)C2 ZINC001257891421 807241324 /nfs/dbraw/zinc/24/13/24/807241324.db2.gz LNZPPACJISVYTR-WXCOAYGQSA-N 1 3 274.452 3.005 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3C[C@H]4CCN(C)C[C@H]4C3)C[C@H](C1)C2 ZINC001257891421 807241327 /nfs/dbraw/zinc/24/13/27/807241327.db2.gz LNZPPACJISVYTR-WXCOAYGQSA-N 1 3 274.452 3.005 20 30 CGEDHO C#C[C@](C)(CC)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001258135470 807319925 /nfs/dbraw/zinc/31/99/25/807319925.db2.gz JDIBOJKXXPVFOK-LJQANCHMSA-N 1 3 284.447 3.085 20 30 CGEDHO C=CCC[C@H](C)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001258722903 807571162 /nfs/dbraw/zinc/57/11/62/807571162.db2.gz OWELBZXVJGSVGO-AWEZNQCLSA-N 1 3 276.399 3.430 20 30 CGEDHO C=CCC[C@@H](C)N1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001258722412 807571280 /nfs/dbraw/zinc/57/12/80/807571280.db2.gz IDRTVLDOTSCOTH-CQSZACIVSA-N 1 3 276.399 3.430 20 30 CGEDHO C=CCC[C@@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258722418 807571570 /nfs/dbraw/zinc/57/15/70/807571570.db2.gz IEOAABMKZUDULB-MRXNPFEDSA-N 1 3 287.451 3.238 20 30 CGEDHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(C#N)cc1 ZINC001172100967 808172544 /nfs/dbraw/zinc/17/25/44/808172544.db2.gz VHHAQOCDEMATES-NKGKWGDASA-N 1 3 283.419 3.224 20 30 CGEDHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(C#N)cc1 ZINC001172100967 808172548 /nfs/dbraw/zinc/17/25/48/808172548.db2.gz VHHAQOCDEMATES-NKGKWGDASA-N 1 3 283.419 3.224 20 30 CGEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3c1cccc3C#N)C2 ZINC001172119369 808184425 /nfs/dbraw/zinc/18/44/25/808184425.db2.gz YXCBPGNLXZZDMJ-YYAJDYIMSA-N 1 3 295.430 3.150 20 30 CGEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3c1cccc3C#N)C2 ZINC001172119369 808184426 /nfs/dbraw/zinc/18/44/26/808184426.db2.gz YXCBPGNLXZZDMJ-YYAJDYIMSA-N 1 3 295.430 3.150 20 30 CGEDHO CCCCCCCCCN1CC2(CCN2CC[NH+](C)C)C1 ZINC001275132238 808913671 /nfs/dbraw/zinc/91/36/71/808913671.db2.gz OVNJTMIUHNFGLK-UHFFFAOYSA-N 1 3 295.515 3.059 20 30 CGEDHO N#CCCCN[C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001277943114 809107192 /nfs/dbraw/zinc/10/71/92/809107192.db2.gz NYPLSUKLXBJYEG-DLBZAZTESA-N 1 3 275.440 3.257 20 30 CGEDHO C=C(CC)CN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197588413 811432654 /nfs/dbraw/zinc/43/26/54/811432654.db2.gz GNJMODMUQMZRMZ-RBUKOAKNSA-N 1 3 284.447 3.407 20 30 CGEDHO C=C(CC)CN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197588413 811432659 /nfs/dbraw/zinc/43/26/59/811432659.db2.gz GNJMODMUQMZRMZ-RBUKOAKNSA-N 1 3 284.447 3.407 20 30 CGEDHO C=CCCC[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001209162929 813953261 /nfs/dbraw/zinc/95/32/61/813953261.db2.gz OWMAYUGIMQVXDX-JKSUJKDBSA-N 1 3 250.430 3.291 20 30 CGEDHO C=CCCC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001209162929 813953265 /nfs/dbraw/zinc/95/32/65/813953265.db2.gz OWMAYUGIMQVXDX-JKSUJKDBSA-N 1 3 250.430 3.291 20 30 CGEDHO C#CCCC[NH+]1CCC(N(CC)Cc2ccccc2)CC1 ZINC001209266381 813988283 /nfs/dbraw/zinc/98/82/83/813988283.db2.gz WHJCFOTZFUPJTF-UHFFFAOYSA-N 1 3 284.447 3.386 20 30 CGEDHO C=CCCCCCC[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222238092 816383378 /nfs/dbraw/zinc/38/33/78/816383378.db2.gz ZPFQALRYDRRMOG-MRXNPFEDSA-N 1 3 250.430 3.341 20 30 CGEDHO C=CCCCCCC[N@H+]1CCC[C@@]12CCCNC2 ZINC001222238092 816383385 /nfs/dbraw/zinc/38/33/85/816383385.db2.gz ZPFQALRYDRRMOG-MRXNPFEDSA-N 1 3 250.430 3.341 20 30 CGEDHO C=CCCCCCCCCN(C)C[C@@H]1CC[NH2+]C1 ZINC001235842359 819183034 /nfs/dbraw/zinc/18/30/34/819183034.db2.gz OICQQPGRGTYZLN-MRXNPFEDSA-N 1 3 252.446 3.444 20 30 CGEDHO C=CCCCCCCCN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235960471 819249928 /nfs/dbraw/zinc/24/99/28/819249928.db2.gz WPGULUSJJMRHMW-MUJYYYPQSA-N 1 3 250.430 3.182 20 30 CGEDHO Cc1cc(C#N)ccc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC001579554075 962638622 /nfs/dbraw/zinc/63/86/22/962638622.db2.gz MPJODGHQLJJKOF-HKUYNNGSSA-N 1 3 297.446 3.221 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1 ZINC000651706050 398271830 /nfs/dbraw/zinc/27/18/30/398271830.db2.gz QGWFMFPCKFONEL-ZACQAIPSSA-N 1 3 264.457 3.441 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCC[C@H]([NH3+])C1 ZINC000591581351 346930023 /nfs/dbraw/zinc/93/00/23/346930023.db2.gz QXWQADILVXIXJH-BQFCYCMXSA-N 1 3 283.419 3.185 20 30 CGEDHO C=CCCC[C@H](C)[NH+]1CCC(N2CCCC2)CC1 ZINC000091508794 345817661 /nfs/dbraw/zinc/81/76/61/345817661.db2.gz ZHYWUHJTGMSFRS-HNNXBMFYSA-N 1 3 250.430 3.291 20 30 CGEDHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594924651 347230877 /nfs/dbraw/zinc/23/08/77/347230877.db2.gz KHOVEHRICRNFCK-KRWDZBQOSA-N 1 3 297.446 3.063 20 30 CGEDHO C[C@H](CCC#N)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000602727643 348019256 /nfs/dbraw/zinc/01/92/56/348019256.db2.gz FWDBRJKPYPSNLX-LMMKCTJWSA-N 1 3 299.462 3.284 20 30 CGEDHO CN(CCCC[NH+]1CCCCC1)Cc1cccc(C#N)c1 ZINC000603110036 348059960 /nfs/dbraw/zinc/05/99/60/348059960.db2.gz KGLVKWQSCWQGGA-UHFFFAOYSA-N 1 3 285.435 3.256 20 30 CGEDHO C=CCOc1cccc(CN(CC)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435381654 372756372 /nfs/dbraw/zinc/75/63/72/372756372.db2.gz VDVBHWSJQJIQKA-QGZVFWFLSA-N 1 3 288.435 3.215 20 30 CGEDHO C[C@@H]1CCCCN1CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449062554 373658958 /nfs/dbraw/zinc/65/89/58/373658958.db2.gz MGGUBKGTMIAUKR-KLAILNCOSA-N 1 3 277.456 3.313 20 30 CGEDHO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCN(CCC)C1 ZINC000449094154 373661333 /nfs/dbraw/zinc/66/13/33/373661333.db2.gz QNCGACHJULKSGN-HZPDHXFCSA-N 1 3 252.446 3.443 20 30 CGEDHO C[N@@H+]1CCC[C@H]2CN(CCC3(C#N)CCCCC3)CC[C@@H]21 ZINC000334557479 374855809 /nfs/dbraw/zinc/85/58/09/374855809.db2.gz HILARIDLGOBJJP-IRXDYDNUSA-N 1 3 289.467 3.267 20 30 CGEDHO C[N@H+]1CCC[C@H]2CN(CCC3(C#N)CCCCC3)CC[C@@H]21 ZINC000334557479 374855816 /nfs/dbraw/zinc/85/58/16/374855816.db2.gz HILARIDLGOBJJP-IRXDYDNUSA-N 1 3 289.467 3.267 20 30 CGEDHO CN1CCC[C@H]2C[N@H+](CCC3(C#N)CCCCC3)CC[C@@H]21 ZINC000334557479 374855826 /nfs/dbraw/zinc/85/58/26/374855826.db2.gz HILARIDLGOBJJP-IRXDYDNUSA-N 1 3 289.467 3.267 20 30 CGEDHO CN1CCC[C@H]2C[N@@H+](CCC3(C#N)CCCCC3)CC[C@@H]21 ZINC000334557479 374855831 /nfs/dbraw/zinc/85/58/31/374855831.db2.gz HILARIDLGOBJJP-IRXDYDNUSA-N 1 3 289.467 3.267 20 30 CGEDHO N#C[C@@H]1CCC[C@@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000192932027 375805563 /nfs/dbraw/zinc/80/55/63/375805563.db2.gz IJTNNKLLHPFDLH-GDBMZVCRSA-N 1 3 275.440 3.065 20 30 CGEDHO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000192932027 375805565 /nfs/dbraw/zinc/80/55/65/375805565.db2.gz IJTNNKLLHPFDLH-GDBMZVCRSA-N 1 3 275.440 3.065 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000519595532 375848217 /nfs/dbraw/zinc/84/82/17/375848217.db2.gz JPLXFXGNSJOMGD-UHOSZYNNSA-N 1 3 297.446 3.433 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1CN ZINC000519595532 375848221 /nfs/dbraw/zinc/84/82/21/375848221.db2.gz JPLXFXGNSJOMGD-UHOSZYNNSA-N 1 3 297.446 3.433 20 30 CGEDHO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC[C@H]1CCCCN1C ZINC000247502071 377215285 /nfs/dbraw/zinc/21/52/85/377215285.db2.gz LURPHTDDLHRGHY-MAUKXSAKSA-N 1 3 285.435 3.425 20 30 CGEDHO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC[C@H]1CCCCN1C ZINC000247502071 377215292 /nfs/dbraw/zinc/21/52/92/377215292.db2.gz LURPHTDDLHRGHY-MAUKXSAKSA-N 1 3 285.435 3.425 20 30 CGEDHO Cc1cc(CNCc2cccc(C[NH+](C)C)c2)ccc1C#N ZINC000443980582 249137861 /nfs/dbraw/zinc/13/78/61/249137861.db2.gz NGNYFWZSBHOQEH-UHFFFAOYSA-N 1 3 293.414 3.218 20 30 CGEDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417385674 380615770 /nfs/dbraw/zinc/61/57/70/380615770.db2.gz MEYRCDVRWLKVKH-TUFGIGEDSA-N 1 3 297.446 3.254 20 30 CGEDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417385674 380615778 /nfs/dbraw/zinc/61/57/78/380615778.db2.gz MEYRCDVRWLKVKH-TUFGIGEDSA-N 1 3 297.446 3.254 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2cc3ccccc3[nH]2)CC1 ZINC000683926898 543954426 /nfs/dbraw/zinc/95/44/26/543954426.db2.gz JHPMRANCPGUUBZ-UHFFFAOYSA-N 1 3 283.419 3.298 20 30 CGEDHO CC(C)(C#N)CCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000174870690 329164232 /nfs/dbraw/zinc/16/42/32/329164232.db2.gz QFZQMJYJBNCKTM-MRXNPFEDSA-N 1 3 277.456 3.267 20 30 CGEDHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCCCC#N)CC2)C1 ZINC000178644925 329201711 /nfs/dbraw/zinc/20/17/11/329201711.db2.gz CVJGKCBIQOHLGU-RDJZCZTQSA-N 1 3 277.456 3.313 20 30 CGEDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185895728 329334658 /nfs/dbraw/zinc/33/46/58/329334658.db2.gz WLHWAMKJPGBLSG-YYIAUSFCSA-N 1 3 289.467 3.311 20 30 CGEDHO C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185895728 329334660 /nfs/dbraw/zinc/33/46/60/329334660.db2.gz WLHWAMKJPGBLSG-YYIAUSFCSA-N 1 3 289.467 3.311 20 30 CGEDHO C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185895728 329334662 /nfs/dbraw/zinc/33/46/62/329334662.db2.gz WLHWAMKJPGBLSG-YYIAUSFCSA-N 1 3 289.467 3.311 20 30 CGEDHO C=CCC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCCC1 ZINC000423149083 330172912 /nfs/dbraw/zinc/17/29/12/330172912.db2.gz AJHQTYKCGVRLAM-LSDHHAIUSA-N 1 3 250.430 3.230 20 30 CGEDHO C=CCC[C@H](C)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423369844 330195041 /nfs/dbraw/zinc/19/50/41/330195041.db2.gz OYGHWOGWAMYXBZ-JDFRZJQESA-N 1 3 294.389 3.355 20 30 CGEDHO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000333279880 534577423 /nfs/dbraw/zinc/57/74/23/534577423.db2.gz MGEOYRJOXUYVDB-RRENTHDGSA-N 1 3 297.446 3.250 20 30 CGEDHO C=CC[NH+]1CCC(N[C@H](C)c2ccnc(Cl)c2)CC1 ZINC000765832540 627274085 /nfs/dbraw/zinc/27/40/85/627274085.db2.gz HJQRKBFBRIYXTR-GFCCVEGCSA-N 1 3 279.815 3.036 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCCO1 ZINC000883185915 636572346 /nfs/dbraw/zinc/57/23/46/636572346.db2.gz GRCRMGSDWQHVDP-SQNIBIBYSA-N 1 3 294.483 3.210 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000926737297 638805361 /nfs/dbraw/zinc/80/53/61/638805361.db2.gz FAFPKXVULINHOL-HOCLYGCPSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737297 638805362 /nfs/dbraw/zinc/80/53/62/638805362.db2.gz FAFPKXVULINHOL-HOCLYGCPSA-N 1 3 277.456 3.026 20 30 CGEDHO C#C[C@](C)(CC)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255393810 806632834 /nfs/dbraw/zinc/63/28/34/806632834.db2.gz RKDJKZWTBUNUFK-RTBURBONSA-N 1 3 284.447 3.433 20 30 CGEDHO C#C[C@](C)(CC)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393810 806632838 /nfs/dbraw/zinc/63/28/38/806632838.db2.gz RKDJKZWTBUNUFK-RTBURBONSA-N 1 3 284.447 3.433 20 30 CGEDHO C=C(C)C[NH+]1CCC(Nc2c(C)cnc3ccccc32)CC1 ZINC001116269215 802321596 /nfs/dbraw/zinc/32/15/96/802321596.db2.gz GEPYTFLNXKEYOG-UHFFFAOYSA-N 1 3 295.430 3.418 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@H]1CCCC[NH2+]C1 ZINC001245980418 804093976 /nfs/dbraw/zinc/09/39/76/804093976.db2.gz DSEFCBZIAJRFKJ-IRXDYDNUSA-N 1 3 284.488 3.077 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC12CCNCC2 ZINC001246034320 804103093 /nfs/dbraw/zinc/10/30/93/804103093.db2.gz PEXUOLUCPBDGSY-KRWDZBQOSA-N 1 3 294.483 3.092 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@H+]1CCCC12CCNCC2 ZINC001246034320 804103097 /nfs/dbraw/zinc/10/30/97/804103097.db2.gz PEXUOLUCPBDGSY-KRWDZBQOSA-N 1 3 294.483 3.092 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN1CC[C@@H](C[NH2+]C)C1 ZINC001246048854 804104656 /nfs/dbraw/zinc/10/46/56/804104656.db2.gz NZXKEMXXJYRRFT-ZWKOTPCHSA-N 1 3 298.515 3.419 20 30 CGEDHO C#CC(CC)(CC)[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246073264 804110055 /nfs/dbraw/zinc/11/00/55/804110055.db2.gz WGPHNZCYCGKIHJ-ROUUACIJSA-N 1 3 284.447 3.131 20 30 CGEDHO CCCCCCC[C@@H](CC)[NH2+][C@@H]1CNCC12CC2 ZINC001246136726 804160582 /nfs/dbraw/zinc/16/05/82/804160582.db2.gz XRJZBVLTIBGRAX-HUUCEWRRSA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665173 804486783 /nfs/dbraw/zinc/48/67/83/804486783.db2.gz SZPSLEYJGMNFFW-LVQVYYBASA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665173 804486787 /nfs/dbraw/zinc/48/67/87/804486787.db2.gz SZPSLEYJGMNFFW-LVQVYYBASA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCCC[N@H+](C)C1C[C@@H]2C=C[C@H](C1)N2 ZINC001246768978 804502219 /nfs/dbraw/zinc/50/22/19/804502219.db2.gz HLZQHRMKFZRKDO-XYPWUTKMSA-N 1 3 250.430 3.338 20 30 CGEDHO CCCCCCCC[N@@H+](C)C1C[C@@H]2C=C[C@H](C1)N2 ZINC001246768978 804502224 /nfs/dbraw/zinc/50/22/24/804502224.db2.gz HLZQHRMKFZRKDO-XYPWUTKMSA-N 1 3 250.430 3.338 20 30 CGEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001258721288 807570125 /nfs/dbraw/zinc/57/01/25/807570125.db2.gz RGLVGWUKLPQPFA-CQSZACIVSA-N 1 3 250.430 3.338 20 30 CGEDHO C=CCC[C@@H](C)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001258724443 807572315 /nfs/dbraw/zinc/57/23/15/807572315.db2.gz WPKOXRPFYROGNH-OAHLLOKOSA-N 1 3 258.409 3.291 20 30 CGEDHO C=CCC[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC001258725005 807573374 /nfs/dbraw/zinc/57/33/74/807573374.db2.gz DNLJSEHPHZIVLK-OAHLLOKOSA-N 1 3 250.430 3.291 20 30 CGEDHO C=CCC[C@@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC001258725005 807573377 /nfs/dbraw/zinc/57/33/77/807573377.db2.gz DNLJSEHPHZIVLK-OAHLLOKOSA-N 1 3 250.430 3.291 20 30 CGEDHO C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2ccc([C@@H](C)N)n2)cc1 ZINC001169237178 807611638 /nfs/dbraw/zinc/61/16/38/807611638.db2.gz LXHQDAKRMUIZRR-RDTXWAMCSA-N 1 3 296.418 3.215 20 30 CGEDHO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2ccc([C@@H](C)N)n2)cc1 ZINC001169237178 807611643 /nfs/dbraw/zinc/61/16/43/807611643.db2.gz LXHQDAKRMUIZRR-RDTXWAMCSA-N 1 3 296.418 3.215 20 30 CGEDHO CCCCCCCC[C@@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001263105768 807934352 /nfs/dbraw/zinc/93/43/52/807934352.db2.gz XSRSUUYNLIGMSO-MRXNPFEDSA-N 1 3 291.439 3.162 20 30 CGEDHO CC(C)[Si](C#C[NH2+]CC(C)(C)N)(C(C)C)C(C)C ZINC001171196502 808006842 /nfs/dbraw/zinc/00/68/42/808006842.db2.gz WDDRCOOIITUVHY-UHFFFAOYSA-N 1 3 268.521 3.492 20 30 CGEDHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](CC#N)C2)CC1(C)C ZINC001171639538 808111882 /nfs/dbraw/zinc/11/18/82/808111882.db2.gz ODRPLFGPSKTIBU-AWEZNQCLSA-N 1 3 277.456 3.263 20 30 CGEDHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](CC#N)C2)CC1(C)C ZINC001171639538 808111885 /nfs/dbraw/zinc/11/18/85/808111885.db2.gz ODRPLFGPSKTIBU-AWEZNQCLSA-N 1 3 277.456 3.263 20 30 CGEDHO C[NH+]1C(C)(C)CC(N2CCC[C@@H](CC#N)C2)CC1(C)C ZINC001171639538 808111889 /nfs/dbraw/zinc/11/18/89/808111889.db2.gz ODRPLFGPSKTIBU-AWEZNQCLSA-N 1 3 277.456 3.263 20 30 CGEDHO CCCCN(C)CCC[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172296140 808218308 /nfs/dbraw/zinc/21/83/08/808218308.db2.gz XJSASHWXQAWQNU-MRXNPFEDSA-N 1 3 287.451 3.201 20 30 CGEDHO C=CCCCCCCCN1CCC[C@@H](C[NH2+]C)C1 ZINC001205009448 812823165 /nfs/dbraw/zinc/82/31/65/812823165.db2.gz STBHOMSTFQHYJU-INIZCTEOSA-N 1 3 252.446 3.444 20 30 CGEDHO C=CCCCCC[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001209433230 814034116 /nfs/dbraw/zinc/03/41/16/814034116.db2.gz RYJXZKHLDRYEEZ-HOTGVXAUSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCCCCCN1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209433230 814034120 /nfs/dbraw/zinc/03/41/20/814034120.db2.gz RYJXZKHLDRYEEZ-HOTGVXAUSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCCCCCCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209440154 814038342 /nfs/dbraw/zinc/03/83/42/814038342.db2.gz CKVYHYPIDGUMGI-HZPDHXFCSA-N 1 3 250.430 3.006 20 30 CGEDHO CCCCCCC/C=C/CN1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235928861 819227520 /nfs/dbraw/zinc/22/75/20/819227520.db2.gz DKWCUKXDSFFWFM-LJFOUZCWSA-N 1 3 264.457 3.444 20 30 CGEDHO CCCCCCC/C=C/CN1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236072159 819301085 /nfs/dbraw/zinc/30/10/85/819301085.db2.gz DXWDSNDAJOZIBY-GFOMBABLSA-N 1 3 293.499 3.010 20 30 CGEDHO C#Cc1ccc(-c2ccccc2CN2CCC([NH3+])CC2)cc1 ZINC001242296026 822942563 /nfs/dbraw/zinc/94/25/63/822942563.db2.gz MZPPLHPTWJLVNT-UHFFFAOYSA-N 1 3 290.410 3.258 20 30 CGEDHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCCC(C)(C)C#N)C2 ZINC000595503988 347312887 /nfs/dbraw/zinc/31/28/87/347312887.db2.gz CMJHQIDBYCDNCN-QGZVFWFLSA-N 1 3 277.456 3.124 20 30 CGEDHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCCC(C)(C)C#N)C2 ZINC000595503988 347312889 /nfs/dbraw/zinc/31/28/89/347312889.db2.gz CMJHQIDBYCDNCN-QGZVFWFLSA-N 1 3 277.456 3.124 20 30 CGEDHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1cccc(C#N)c1 ZINC000611388196 348443353 /nfs/dbraw/zinc/44/33/53/348443353.db2.gz YKXFZASKKTVSAS-RHSMWYFYSA-N 1 3 271.408 3.083 20 30 CGEDHO CC(C)CN1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000178175984 189095309 /nfs/dbraw/zinc/09/53/09/189095309.db2.gz FQBFOWCGJNCJST-OAHLLOKOSA-N 1 3 285.435 3.329 20 30 CGEDHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000422977667 371899701 /nfs/dbraw/zinc/89/97/01/371899701.db2.gz XEOYWBDJRYDRRG-QWHCGFSZSA-N 1 3 294.402 3.132 20 30 CGEDHO N#C[C@H]1CC[C@@H](NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000442636027 373061685 /nfs/dbraw/zinc/06/16/85/373061685.db2.gz RNFANJYHRDWXNC-DLBZAZTESA-N 1 3 289.467 3.457 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CC[C@@H](C#N)C2)C1 ZINC000442722664 373070623 /nfs/dbraw/zinc/07/06/23/373070623.db2.gz XXYBOFCHALXAKO-QXSJWSMHSA-N 1 3 277.456 3.025 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H]2CC[C@@H](C#N)C2)C1 ZINC000442722664 373070631 /nfs/dbraw/zinc/07/06/31/373070631.db2.gz XXYBOFCHALXAKO-QXSJWSMHSA-N 1 3 277.456 3.025 20 30 CGEDHO N#CC1(c2ccccc2)CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000335498683 375323933 /nfs/dbraw/zinc/32/39/33/375323933.db2.gz SRJMVCUHWTXUQX-XBMUEBEBSA-N 1 3 297.446 3.122 20 30 CGEDHO C=C(C)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000509393741 375780277 /nfs/dbraw/zinc/78/02/77/375780277.db2.gz RSSAJCDKEPLQBH-IAGOWNOFSA-N 1 3 294.483 3.164 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000519595525 375848384 /nfs/dbraw/zinc/84/83/84/375848384.db2.gz JPLXFXGNSJOMGD-NEWSRXKRSA-N 1 3 297.446 3.433 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1CN ZINC000519595525 375848386 /nfs/dbraw/zinc/84/83/86/375848386.db2.gz JPLXFXGNSJOMGD-NEWSRXKRSA-N 1 3 297.446 3.433 20 30 CGEDHO CC[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(C#N)cc1 ZINC000574989816 377733367 /nfs/dbraw/zinc/73/33/67/377733367.db2.gz QNGGTMHRJCOKSJ-GOSISDBHSA-N 1 3 279.387 3.258 20 30 CGEDHO CC[NH+](CC)CC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000342700557 377743013 /nfs/dbraw/zinc/74/30/13/377743013.db2.gz XGNCZLKGPXXOJB-UHFFFAOYSA-N 1 3 299.462 3.306 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000595504619 378402631 /nfs/dbraw/zinc/40/26/31/378402631.db2.gz KQUOEPOKEPHGJX-MAUKXSAKSA-N 1 3 283.419 3.037 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000595504619 378402635 /nfs/dbraw/zinc/40/26/35/378402635.db2.gz KQUOEPOKEPHGJX-MAUKXSAKSA-N 1 3 283.419 3.037 20 30 CGEDHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)c1ccc(C#N)cc1 ZINC000276673717 378979294 /nfs/dbraw/zinc/97/92/94/378979294.db2.gz ZIKVDLAAKFZTPS-HNNXBMFYSA-N 1 3 285.435 3.331 20 30 CGEDHO C=C1CCN(CCCCC[NH+]2CCC(=C)CC2)CC1 ZINC000354403078 380424786 /nfs/dbraw/zinc/42/47/86/380424786.db2.gz YRFNKWNHCCWOCX-UHFFFAOYSA-N 1 3 262.441 3.461 20 30 CGEDHO N#Cc1ccc(CNCCCCC[NH+]2CCCC2)cc1F ZINC000421376741 380918985 /nfs/dbraw/zinc/91/89/85/380918985.db2.gz FGLCRCBFAPEVCY-UHFFFAOYSA-N 1 3 289.398 3.053 20 30 CGEDHO CCCCCCCCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364248953 382267990 /nfs/dbraw/zinc/26/79/90/382267990.db2.gz BAUOZVNRHBOAKJ-SFHVURJKSA-N 1 3 295.515 3.059 20 30 CGEDHO CCCCCCCCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364248953 382267995 /nfs/dbraw/zinc/26/79/95/382267995.db2.gz BAUOZVNRHBOAKJ-SFHVURJKSA-N 1 3 295.515 3.059 20 30 CGEDHO CN(C)[C@H]1CCC[N@H+](CCC2(C#N)CCCCC2)CC1 ZINC000411633806 392984024 /nfs/dbraw/zinc/98/40/24/392984024.db2.gz KDTRKHQVJFSGGD-INIZCTEOSA-N 1 3 277.456 3.267 20 30 CGEDHO CN(C)[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)CC1 ZINC000411633806 392984030 /nfs/dbraw/zinc/98/40/30/392984030.db2.gz KDTRKHQVJFSGGD-INIZCTEOSA-N 1 3 277.456 3.267 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000678698231 543550066 /nfs/dbraw/zinc/55/00/66/543550066.db2.gz NJUFRHCJAXQUPZ-XHSDSOJGSA-N 1 3 250.430 3.338 20 30 CGEDHO C=CCCOCCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340317150 263110337 /nfs/dbraw/zinc/11/03/37/263110337.db2.gz UEXGSNVYWKHDNE-MSOLQXFVSA-N 1 3 288.435 3.004 20 30 CGEDHO C=CCCOCCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340317150 263110338 /nfs/dbraw/zinc/11/03/38/263110338.db2.gz UEXGSNVYWKHDNE-MSOLQXFVSA-N 1 3 288.435 3.004 20 30 CGEDHO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1Cl ZINC000424386004 330349476 /nfs/dbraw/zinc/34/94/76/330349476.db2.gz WRAGMDAKWINJAT-HUUCEWRRSA-N 1 3 294.826 3.264 20 30 CGEDHO C=C(CC)C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309908952 333051260 /nfs/dbraw/zinc/05/12/60/333051260.db2.gz LHULBURVTBFOFS-FUHWJXTLSA-N 1 3 272.436 3.453 20 30 CGEDHO C=C(CC)CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309908952 333051262 /nfs/dbraw/zinc/05/12/62/333051262.db2.gz LHULBURVTBFOFS-FUHWJXTLSA-N 1 3 272.436 3.453 20 30 CGEDHO C=C(CC)CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309908952 333051263 /nfs/dbraw/zinc/05/12/63/333051263.db2.gz LHULBURVTBFOFS-FUHWJXTLSA-N 1 3 272.436 3.453 20 30 CGEDHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000925588238 619075665 /nfs/dbraw/zinc/07/56/65/619075665.db2.gz PAOJYZFQATVYAL-CVEARBPZSA-N 1 3 279.472 3.272 20 30 CGEDHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000925588238 619075668 /nfs/dbraw/zinc/07/56/68/619075668.db2.gz PAOJYZFQATVYAL-CVEARBPZSA-N 1 3 279.472 3.272 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000924687654 620563154 /nfs/dbraw/zinc/56/31/54/620563154.db2.gz XPUYMFIFILKQEI-OAGGEKHMSA-N 1 3 279.472 3.272 20 30 CGEDHO CC1([NH+]2CCCC2)CCC(NCC2(C#N)CCC2)CC1 ZINC000903035902 621537662 /nfs/dbraw/zinc/53/76/62/621537662.db2.gz VXTFHYPMWIACGW-UHFFFAOYSA-N 1 3 275.440 3.067 20 30 CGEDHO C=C(Cl)COc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000817952193 632247460 /nfs/dbraw/zinc/24/74/60/632247460.db2.gz IMMRJAOKQLGUIF-QWHCGFSZSA-N 1 3 282.815 3.206 20 30 CGEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](N)CC)cc1 ZINC000817979720 632270132 /nfs/dbraw/zinc/27/01/32/632270132.db2.gz NSLYYNVLSHSYFR-GXTWGEPZSA-N 1 3 282.815 3.206 20 30 CGEDHO C#CCCCCC[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000886719930 637670752 /nfs/dbraw/zinc/67/07/52/637670752.db2.gz MURSKGGDRHCCMN-UHFFFAOYSA-N 1 3 262.441 3.130 20 30 CGEDHO N#Cc1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1F ZINC000925693701 638571345 /nfs/dbraw/zinc/57/13/45/638571345.db2.gz QQZRKXUNWHMGHB-GOSISDBHSA-N 1 3 297.377 3.267 20 30 CGEDHO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001253256182 806197965 /nfs/dbraw/zinc/19/79/65/806197965.db2.gz RZJLESLXGJZVHL-KURKYZTESA-N 1 3 296.499 3.336 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN[C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001245999290 804096240 /nfs/dbraw/zinc/09/62/40/804096240.db2.gz DVYLGZSMAUVDPZ-BDXSIMOUSA-N 1 3 296.499 3.076 20 30 CGEDHO CCCCCCCC[C@@H](CC)[NH2+][C@@]1(CCO)CCNC1 ZINC001246297947 804263995 /nfs/dbraw/zinc/26/39/95/804263995.db2.gz YHZXTPNIANAFQI-IAGOWNOFSA-N 1 3 284.488 3.220 20 30 CGEDHO C=C1C[C@@H]2CC([NH2+][C@@H]3CCNCC3(C)C)C[C@H](C1)C2 ZINC001246377362 804312249 /nfs/dbraw/zinc/31/22/49/804312249.db2.gz ODLDWVBXMHCSHT-VFSICIBPSA-N 1 3 262.441 3.099 20 30 CGEDHO C=CCC[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246391885 804318110 /nfs/dbraw/zinc/31/81/10/804318110.db2.gz PPCJZFVXBGESEA-HNNXBMFYSA-N 1 3 290.426 3.435 20 30 CGEDHO CCCCCCC[C@@H](CC)N1CC[C@](F)(C[NH3+])C1 ZINC001246947109 804614879 /nfs/dbraw/zinc/61/48/79/804614879.db2.gz VKNJLYLXKGUYFW-CABCVRRESA-N 1 3 258.425 3.498 20 30 CGEDHO C=C1C[C@@H]2CC([NH+]3C[C@@H]4CN(CCC)C[C@H]4C3)C[C@H](C1)C2 ZINC001257894386 807243668 /nfs/dbraw/zinc/24/36/68/807243668.db2.gz RSWAUVKGVHBWCI-YMNIQUSHSA-N 1 3 288.479 3.395 20 30 CGEDHO N#CCC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167996165 807293844 /nfs/dbraw/zinc/29/38/44/807293844.db2.gz YEJAIBQTMUWROM-JWTNVVGKSA-N 1 3 287.451 3.017 20 30 CGEDHO N#CCC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167996165 807293850 /nfs/dbraw/zinc/29/38/50/807293850.db2.gz YEJAIBQTMUWROM-JWTNVVGKSA-N 1 3 287.451 3.017 20 30 CGEDHO N#CCC1CCC(N2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001173331659 808615786 /nfs/dbraw/zinc/61/57/86/808615786.db2.gz DEMNXXJYABRYIA-UHFFFAOYSA-N 1 3 297.446 3.409 20 30 CGEDHO C=CCCC[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001274962742 808895340 /nfs/dbraw/zinc/89/53/40/808895340.db2.gz UMSZYVKCELIPJJ-CALCHBBNSA-N 1 3 287.451 3.125 20 30 CGEDHO C=CCCC[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001274962742 808895345 /nfs/dbraw/zinc/89/53/45/808895345.db2.gz UMSZYVKCELIPJJ-CALCHBBNSA-N 1 3 287.451 3.125 20 30 CGEDHO C=CCCCCCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234977887 818968799 /nfs/dbraw/zinc/96/87/99/818968799.db2.gz CSWZUPFMGWTLBH-CALCHBBNSA-N 1 3 264.457 3.444 20 30 CGEDHO C#CCCCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453030 819484855 /nfs/dbraw/zinc/48/48/55/819484855.db2.gz NIKKQVHZNQLEEQ-UHFFFAOYSA-N 1 3 290.838 3.307 20 30 CGEDHO C#CCCC[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236453030 819484860 /nfs/dbraw/zinc/48/48/60/819484860.db2.gz NIKKQVHZNQLEEQ-UHFFFAOYSA-N 1 3 290.838 3.307 20 30 CGEDHO C#CCCC[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236453030 819484865 /nfs/dbraw/zinc/48/48/65/819484865.db2.gz NIKKQVHZNQLEEQ-UHFFFAOYSA-N 1 3 290.838 3.307 20 30 CGEDHO C[C@H](CCCC#N)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001172486051 928223200 /nfs/dbraw/zinc/22/32/00/928223200.db2.gz YFEIMZDBZAMBQC-CQSZACIVSA-N 1 3 263.429 3.065 20 30 CGEDHO C#CC[N@@H+](C)CCCN[C@H](C)c1ccccc1SC ZINC001324519950 934518594 /nfs/dbraw/zinc/51/85/94/934518594.db2.gz GAFIQHFGTAWBAZ-CQSZACIVSA-N 1 3 276.449 3.014 20 30 CGEDHO C#CC[N@H+](C)CCCN[C@H](C)c1ccccc1SC ZINC001324519950 934518600 /nfs/dbraw/zinc/51/86/00/934518600.db2.gz GAFIQHFGTAWBAZ-CQSZACIVSA-N 1 3 276.449 3.014 20 30 CGEDHO Cc1cc(C#N)ccc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC001579554076 962635935 /nfs/dbraw/zinc/63/59/35/962635935.db2.gz MPJODGHQLJJKOF-IEBWSBKVSA-N 1 3 297.446 3.221 20 30 CGEDHO C=CCOc1ccccc1CNCC1CC[NH+](CC)CC1 ZINC000044517749 345012005 /nfs/dbraw/zinc/01/20/05/345012005.db2.gz DMQBLXXZEPPKOS-UHFFFAOYSA-N 1 3 288.435 3.073 20 30 CGEDHO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000091512161 345818087 /nfs/dbraw/zinc/81/80/87/345818087.db2.gz FNZSNIVYFFZZJT-HZPDHXFCSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCCC[C@@H](C)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000091512161 345818091 /nfs/dbraw/zinc/81/80/91/345818091.db2.gz FNZSNIVYFFZZJT-HZPDHXFCSA-N 1 3 250.430 3.149 20 30 CGEDHO C#CCCCC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000090397948 345787301 /nfs/dbraw/zinc/78/73/01/345787301.db2.gz FQHYMOAOBSFSJJ-FUHWJXTLSA-N 1 3 276.468 3.423 20 30 CGEDHO C#CCCCCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000090397948 345787304 /nfs/dbraw/zinc/78/73/04/345787304.db2.gz FQHYMOAOBSFSJJ-FUHWJXTLSA-N 1 3 276.468 3.423 20 30 CGEDHO C=CCCCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000118001476 345986776 /nfs/dbraw/zinc/98/67/76/345986776.db2.gz DAWIAGVUVZQCDK-KRWDZBQOSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCC[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000118001476 345986777 /nfs/dbraw/zinc/98/67/77/345986777.db2.gz DAWIAGVUVZQCDK-KRWDZBQOSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCC[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000118001476 345986778 /nfs/dbraw/zinc/98/67/78/345986778.db2.gz DAWIAGVUVZQCDK-KRWDZBQOSA-N 1 3 264.457 3.397 20 30 CGEDHO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000365433298 346548459 /nfs/dbraw/zinc/54/84/59/346548459.db2.gz QPRIWWQHBDUYKN-MRXNPFEDSA-N 1 3 277.456 3.124 20 30 CGEDHO CC(C)(C#N)CCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000365433298 346548463 /nfs/dbraw/zinc/54/84/63/346548463.db2.gz QPRIWWQHBDUYKN-MRXNPFEDSA-N 1 3 277.456 3.124 20 30 CGEDHO N#Cc1ccc(C2([NH2+]CCCN3CCCCC3)CCC2)cc1 ZINC000594032861 347141223 /nfs/dbraw/zinc/14/12/23/347141223.db2.gz BDALHLKNPYJAEI-UHFFFAOYSA-N 1 3 297.446 3.403 20 30 CGEDHO CC(C)(C#N)c1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000594493804 347177804 /nfs/dbraw/zinc/17/78/04/347177804.db2.gz SGCKRDKPPAQOKV-UHFFFAOYSA-N 1 3 297.446 3.204 20 30 CGEDHO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000602535150 347977226 /nfs/dbraw/zinc/97/72/26/347977226.db2.gz OAMRNIADLJVWLT-HKUYNNGSSA-N 1 3 299.462 3.080 20 30 CGEDHO C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000602595898 347991289 /nfs/dbraw/zinc/99/12/89/347991289.db2.gz GDYZVLIBVJVPSC-KZYLPZIUSA-N 1 3 289.467 3.311 20 30 CGEDHO N#CC1CCC(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000335024158 283049989 /nfs/dbraw/zinc/04/99/89/283049989.db2.gz XBJHWKYWWFZPHC-CXMPNGEBSA-N 1 3 269.392 3.051 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC[C@H]1CCCN1C ZINC000425530425 236257564 /nfs/dbraw/zinc/25/75/64/236257564.db2.gz FLZDGMBQFDGRSW-RHSMWYFYSA-N 1 3 271.408 3.035 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000425530425 236257565 /nfs/dbraw/zinc/25/75/65/236257565.db2.gz FLZDGMBQFDGRSW-RHSMWYFYSA-N 1 3 271.408 3.035 20 30 CGEDHO C=CCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000574247971 335003768 /nfs/dbraw/zinc/00/37/68/335003768.db2.gz YBJVYCYULBOVDB-DOTOQJQBSA-N 1 3 262.441 3.291 20 30 CGEDHO C=CCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000574247971 335003769 /nfs/dbraw/zinc/00/37/69/335003769.db2.gz YBJVYCYULBOVDB-DOTOQJQBSA-N 1 3 262.441 3.291 20 30 CGEDHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000037786476 369113142 /nfs/dbraw/zinc/11/31/42/369113142.db2.gz KETVOAPCOJBQGS-CQSZACIVSA-N 1 3 285.435 3.472 20 30 CGEDHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442706415 373068072 /nfs/dbraw/zinc/06/80/72/373068072.db2.gz DGQZCDCGCDSFBY-MAUKXSAKSA-N 1 3 285.435 3.310 20 30 CGEDHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185868771 374756238 /nfs/dbraw/zinc/75/62/38/374756238.db2.gz WRHGDBDJPWCFNW-YESZJQIVSA-N 1 3 277.456 3.026 20 30 CGEDHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185868771 374756244 /nfs/dbraw/zinc/75/62/44/374756244.db2.gz WRHGDBDJPWCFNW-YESZJQIVSA-N 1 3 277.456 3.026 20 30 CGEDHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185868771 374756249 /nfs/dbraw/zinc/75/62/49/374756249.db2.gz WRHGDBDJPWCFNW-YESZJQIVSA-N 1 3 277.456 3.026 20 30 CGEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000192932042 375804637 /nfs/dbraw/zinc/80/46/37/375804637.db2.gz IJTNNKLLHPFDLH-ZBFHGGJFSA-N 1 3 275.440 3.065 20 30 CGEDHO N#C[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000192932042 375804642 /nfs/dbraw/zinc/80/46/42/375804642.db2.gz IJTNNKLLHPFDLH-ZBFHGGJFSA-N 1 3 275.440 3.065 20 30 CGEDHO CC(C)(C)N1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336559761 375831965 /nfs/dbraw/zinc/83/19/65/375831965.db2.gz VXKOZPDSDLBMAV-GOSISDBHSA-N 1 3 297.446 3.398 20 30 CGEDHO CC[C@@H]([NH2+]CCCN1CCCC1)c1ccc(C#N)cc1 ZINC000278235973 379323289 /nfs/dbraw/zinc/32/32/89/379323289.db2.gz KWBKBQUEHNSRAA-QGZVFWFLSA-N 1 3 271.408 3.085 20 30 CGEDHO C#CCCC[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000376197012 379528540 /nfs/dbraw/zinc/52/85/40/379528540.db2.gz PQUFTQXHZAMGKW-NVXWUHKLSA-N 1 3 262.441 3.033 20 30 CGEDHO C#CCCCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000376197012 379528544 /nfs/dbraw/zinc/52/85/44/379528544.db2.gz PQUFTQXHZAMGKW-NVXWUHKLSA-N 1 3 262.441 3.033 20 30 CGEDHO C=CCC[C@@H](CCC)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546382 380359543 /nfs/dbraw/zinc/35/95/43/380359543.db2.gz NWOFFAKNZIBYPZ-CABCVRRESA-N 1 3 250.430 3.386 20 30 CGEDHO C=CCOc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414933469 542641103 /nfs/dbraw/zinc/64/11/03/542641103.db2.gz WXEMVTCFAUSMQQ-ZIAGYGMSSA-N 1 3 294.826 3.264 20 30 CGEDHO C=CCC[C@H](NC[C@H](CC[NH+](C)C)OCC)c1ccco1 ZINC000285504440 392325189 /nfs/dbraw/zinc/32/51/89/392325189.db2.gz AJCSCMXRURQSSO-HOTGVXAUSA-N 1 3 294.439 3.233 20 30 CGEDHO CC(C)(C[NH2+][C@@H]1CCc2ccc(C#N)cc21)CN1CCCC1 ZINC000353648361 393229523 /nfs/dbraw/zinc/22/95/23/393229523.db2.gz ABGSRJUWWSLPHU-GOSISDBHSA-N 1 3 297.446 3.257 20 30 CGEDHO C[C@@H](N(C)CC#CC[N@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000351423374 393190534 /nfs/dbraw/zinc/19/05/34/393190534.db2.gz VNSSPCQIQPGSGQ-IYBDPMFKSA-N 1 3 276.468 3.231 20 30 CGEDHO C[C@@H](N(C)CC#CC[N@@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000351423374 393190541 /nfs/dbraw/zinc/19/05/41/393190541.db2.gz VNSSPCQIQPGSGQ-IYBDPMFKSA-N 1 3 276.468 3.231 20 30 CGEDHO C[C@@H]([N@@H+](C)CC#CCN(C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000351423374 393190546 /nfs/dbraw/zinc/19/05/46/393190546.db2.gz VNSSPCQIQPGSGQ-IYBDPMFKSA-N 1 3 276.468 3.231 20 30 CGEDHO C[C@@H]([N@H+](C)CC#CCN(C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000351423374 393190552 /nfs/dbraw/zinc/19/05/52/393190552.db2.gz VNSSPCQIQPGSGQ-IYBDPMFKSA-N 1 3 276.468 3.231 20 30 CGEDHO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467300 419619198 /nfs/dbraw/zinc/61/91/98/419619198.db2.gz DSRDWGZVIPRVKG-IAGOWNOFSA-N 1 3 264.457 3.443 20 30 CGEDHO N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000423095727 330169808 /nfs/dbraw/zinc/16/98/08/330169808.db2.gz FUOSVMXTQIWWOG-NUUXYWTLSA-N 1 3 289.467 3.217 20 30 CGEDHO C=CCC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCCC1 ZINC000423149080 330172830 /nfs/dbraw/zinc/17/28/30/330172830.db2.gz AJHQTYKCGVRLAM-CABCVRRESA-N 1 3 250.430 3.230 20 30 CGEDHO C=CCC[C@H](C)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423369845 330194962 /nfs/dbraw/zinc/19/49/62/330194962.db2.gz OYGHWOGWAMYXBZ-QEORTHHSSA-N 1 3 294.389 3.355 20 30 CGEDHO CC(C)(C)N1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000442869257 330788850 /nfs/dbraw/zinc/78/88/50/330788850.db2.gz SKIMNQOKNCGQLT-UHFFFAOYSA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@@H](CC[NH2+]C1CCC(C)(C#N)CC1)N1CCCCC1 ZINC000449237621 330908489 /nfs/dbraw/zinc/90/84/89/330908489.db2.gz CGDVFRSMPSFYSP-GTPINHCMSA-N 1 3 277.456 3.313 20 30 CGEDHO C=CCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000385866802 336158286 /nfs/dbraw/zinc/15/82/86/336158286.db2.gz XXZGPQHOXFAVJV-ARFHVFGLSA-N 1 3 250.430 3.243 20 30 CGEDHO C=CCCC[N@H+]1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000344587155 527196511 /nfs/dbraw/zinc/19/65/11/527196511.db2.gz RZYQJXQCQARQIN-XHSDSOJGSA-N 1 3 250.430 3.290 20 30 CGEDHO C=CCCC[N@@H+]1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000344587155 527196514 /nfs/dbraw/zinc/19/65/14/527196514.db2.gz RZYQJXQCQARQIN-XHSDSOJGSA-N 1 3 250.430 3.290 20 30 CGEDHO CCCCCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000740878617 571890711 /nfs/dbraw/zinc/89/07/11/571890711.db2.gz PAZJNIWLVBWPDX-INIZCTEOSA-N 1 3 252.446 3.375 20 30 CGEDHO CCCCCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000740878617 571890713 /nfs/dbraw/zinc/89/07/13/571890713.db2.gz PAZJNIWLVBWPDX-INIZCTEOSA-N 1 3 252.446 3.375 20 30 CGEDHO CCCCCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000740878617 571890717 /nfs/dbraw/zinc/89/07/17/571890717.db2.gz PAZJNIWLVBWPDX-INIZCTEOSA-N 1 3 252.446 3.375 20 30 CGEDHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 ZINC000925664479 619118864 /nfs/dbraw/zinc/11/88/64/619118864.db2.gz FKOHSIMQRANIAX-ZIAGYGMSSA-N 1 3 291.826 3.207 20 30 CGEDHO C=CCOc1ccc(CN2CC[C@H](CC[NH3+])C2)cc1Cl ZINC000904406432 621918314 /nfs/dbraw/zinc/91/83/14/621918314.db2.gz STCODJBBEFNAEY-ZDUSSCGKSA-N 1 3 294.826 3.076 20 30 CGEDHO C=CCCCCC[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000817965625 625624633 /nfs/dbraw/zinc/62/46/33/625624633.db2.gz AZBMAHFGXZHHGD-CVEARBPZSA-N 1 3 252.446 3.491 20 30 CGEDHO CC[N@@H+]1CC[C@@H](N(C)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930000821 624317371 /nfs/dbraw/zinc/31/73/71/624317371.db2.gz RZKYQYIWDFNZJK-VQIMIIECSA-N 1 3 299.462 3.337 20 30 CGEDHO CC[N@H+]1CC[C@@H](N(C)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930000821 624317376 /nfs/dbraw/zinc/31/73/76/624317376.db2.gz RZKYQYIWDFNZJK-VQIMIIECSA-N 1 3 299.462 3.337 20 30 CGEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000817957531 632252272 /nfs/dbraw/zinc/25/22/72/632252272.db2.gz CQGJNTNUVZWBNF-BBRMVZONSA-N 1 3 296.842 3.452 20 30 CGEDHO C[C@H](CN[C@H](C)CC(C)(C)C#N)C[NH+]1CCCCC1 ZINC000924723080 638394575 /nfs/dbraw/zinc/39/45/75/638394575.db2.gz VWZWHFKATXGPGV-HUUCEWRRSA-N 1 3 265.445 3.026 20 30 CGEDHO C[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)CN1CCCCC1 ZINC000924723080 638394580 /nfs/dbraw/zinc/39/45/80/638394580.db2.gz VWZWHFKATXGPGV-HUUCEWRRSA-N 1 3 265.445 3.026 20 30 CGEDHO C=CCCSCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925710330 638575006 /nfs/dbraw/zinc/57/50/06/638575006.db2.gz WPUFHDYRGZIVQY-HOTGVXAUSA-N 1 3 282.497 3.054 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCC(C)(C)C[NH+]1CCCC1 ZINC000926276038 638757865 /nfs/dbraw/zinc/75/78/65/638757865.db2.gz SPJHLCFRYXNIGV-CQSZACIVSA-N 1 3 265.445 3.026 20 30 CGEDHO C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)CN1CCCC1 ZINC000926276038 638757868 /nfs/dbraw/zinc/75/78/68/638757868.db2.gz SPJHLCFRYXNIGV-CQSZACIVSA-N 1 3 265.445 3.026 20 30 CGEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000929848343 638957093 /nfs/dbraw/zinc/95/70/93/638957093.db2.gz QYYFJZVXULXCBR-HKUYNNGSSA-N 1 3 297.446 3.091 20 30 CGEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000929848343 638957095 /nfs/dbraw/zinc/95/70/95/638957095.db2.gz QYYFJZVXULXCBR-HKUYNNGSSA-N 1 3 297.446 3.091 20 30 CGEDHO C=CCC[C@@H](O)CNCCC[NH+](CCCC)CCCC ZINC001252616821 806091240 /nfs/dbraw/zinc/09/12/40/806091240.db2.gz UMFQAPVZXBVIOF-QGZVFWFLSA-N 1 3 284.488 3.195 20 30 CGEDHO C=CCCCCCC[C@@H](O)CNCCC[NH+](CC)CC ZINC001253228420 806184787 /nfs/dbraw/zinc/18/47/87/806184787.db2.gz UBMRSZYVIIBCRU-QGZVFWFLSA-N 1 3 284.488 3.195 20 30 CGEDHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC001254672053 806481654 /nfs/dbraw/zinc/48/16/54/806481654.db2.gz WWXJTBGBHSWAOV-LUKYLMHMSA-N 1 3 275.440 3.017 20 30 CGEDHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC001254672053 806481657 /nfs/dbraw/zinc/48/16/57/806481657.db2.gz WWXJTBGBHSWAOV-LUKYLMHMSA-N 1 3 275.440 3.017 20 30 CGEDHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@@H]1CC[C@H](C#N)C1 ZINC001254672053 806481665 /nfs/dbraw/zinc/48/16/65/806481665.db2.gz WWXJTBGBHSWAOV-LUKYLMHMSA-N 1 3 275.440 3.017 20 30 CGEDHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@@H]1CC[C@H](C#N)C1 ZINC001254672053 806481668 /nfs/dbraw/zinc/48/16/68/806481668.db2.gz WWXJTBGBHSWAOV-LUKYLMHMSA-N 1 3 275.440 3.017 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NCCC[N@@H+]1CCCC[C@H]1C ZINC000695837321 799835873 /nfs/dbraw/zinc/83/58/73/799835873.db2.gz QPKWLIVVJGUAKM-LSDHHAIUSA-N 1 3 265.445 3.169 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NCCC[N@H+]1CCCC[C@H]1C ZINC000695837321 799835879 /nfs/dbraw/zinc/83/58/79/799835879.db2.gz QPKWLIVVJGUAKM-LSDHHAIUSA-N 1 3 265.445 3.169 20 30 CGEDHO CCCCCCCC[C@@H](O)CNC[C@H]1CCCC[NH2+]C1 ZINC001245980416 804093993 /nfs/dbraw/zinc/09/39/93/804093993.db2.gz DSEFCBZIAJRFKJ-DLBZAZTESA-N 1 3 284.488 3.077 20 30 CGEDHO CCCCCCC[C@@H](CC(C)C)[NH2+][C@@]1(CCO)CCNC1 ZINC001246294043 804263138 /nfs/dbraw/zinc/26/31/38/804263138.db2.gz LRWIPVAFDGKIEN-ZWKOTPCHSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCC[C@H]1C[C@H]([NH2+]CCCCCCS)CCN1 ZINC001246464887 804345794 /nfs/dbraw/zinc/34/57/94/804345794.db2.gz HAVGAICHDZQEIP-LSDHHAIUSA-N 1 3 272.502 3.377 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](CN)[C@H]3C)C[C@H](C1)C2 ZINC001246568147 804415421 /nfs/dbraw/zinc/41/54/21/804415421.db2.gz ZQZPKOCSVQNEPI-ILUDGRTOSA-N 1 3 262.441 3.181 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CCC[C@@H](CN)[C@H]3C)C[C@H](C1)C2 ZINC001246568147 804415424 /nfs/dbraw/zinc/41/54/24/804415424.db2.gz ZQZPKOCSVQNEPI-ILUDGRTOSA-N 1 3 262.441 3.181 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3C[C@@H](CN)CC[C@@H]3C)C[C@H](C1)C2 ZINC001246592780 804435667 /nfs/dbraw/zinc/43/56/67/804435667.db2.gz QREVKCVDTTVVFJ-HCMIALLCSA-N 1 3 262.441 3.181 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](CN)CC[C@@H]3C)C[C@H](C1)C2 ZINC001246592780 804435669 /nfs/dbraw/zinc/43/56/69/804435669.db2.gz QREVKCVDTTVVFJ-HCMIALLCSA-N 1 3 262.441 3.181 20 30 CGEDHO N#CC1CCC(N2CCC([NH3+])(CC3CCC3)CC2)CC1 ZINC001256959977 807015857 /nfs/dbraw/zinc/01/58/57/807015857.db2.gz CHHGOBDMQSVEFU-UHFFFAOYSA-N 1 3 275.440 3.052 20 30 CGEDHO C=C(C)C[N@@H+](CC)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246852293 804561606 /nfs/dbraw/zinc/56/16/06/804561606.db2.gz OPNASYBRJDXQTD-MSOLQXFVSA-N 1 3 272.436 3.248 20 30 CGEDHO C=C(C)C[N@H+](CC)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246852293 804561611 /nfs/dbraw/zinc/56/16/11/804561611.db2.gz OPNASYBRJDXQTD-MSOLQXFVSA-N 1 3 272.436 3.248 20 30 CGEDHO C=C(C)CN(CC)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246855239 804563039 /nfs/dbraw/zinc/56/30/39/804563039.db2.gz XCKXELBQPKAHFX-HNNXBMFYSA-N 1 3 250.430 3.339 20 30 CGEDHO CC(C)N1CCC([NH2+]Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001257213416 807063170 /nfs/dbraw/zinc/06/31/70/807063170.db2.gz NDWRHDANFQDKSM-UHFFFAOYSA-N 1 3 291.826 3.174 20 30 CGEDHO C=CCC[C@@H](C)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC001258717476 807567633 /nfs/dbraw/zinc/56/76/33/807567633.db2.gz OQAXSTCPLJJNND-OWCLPIDISA-N 1 3 252.446 3.299 20 30 CGEDHO CC(C)[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001169107091 807579062 /nfs/dbraw/zinc/57/90/62/807579062.db2.gz CHBAGTGHBLDYBX-AKHDSKFASA-N 1 3 297.446 3.470 20 30 CGEDHO CC(C)[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001169107091 807579067 /nfs/dbraw/zinc/57/90/67/807579067.db2.gz CHBAGTGHBLDYBX-AKHDSKFASA-N 1 3 297.446 3.470 20 30 CGEDHO CCCCN(C)CCC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171180474 808001882 /nfs/dbraw/zinc/00/18/82/808001882.db2.gz ALLUZJFJRBTHTN-INIZCTEOSA-N 1 3 287.451 3.201 20 30 CGEDHO C[C@H](CCCC#N)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001172480344 808343754 /nfs/dbraw/zinc/34/37/54/808343754.db2.gz RZTUYEKKSVZVMO-GFCCVEGCSA-N 1 3 251.418 3.049 20 30 CGEDHO C=CCOC1CCC([NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC001173312724 808606551 /nfs/dbraw/zinc/60/65/51/808606551.db2.gz KXMZXSIGJMERSD-AOCRQIFASA-N 1 3 294.483 3.354 20 30 CGEDHO C[C@H]1CCCCN1CCC[NH2+]C1CCC(CC#N)CC1 ZINC001173328226 808614100 /nfs/dbraw/zinc/61/41/00/808614100.db2.gz SQXISWCDUXAKQN-GTPINHCMSA-N 1 3 277.456 3.313 20 30 CGEDHO C=C(C)C[N@@H+](CC)Cc1cc(F)cc(CN(C)C)c1 ZINC001232146579 818263588 /nfs/dbraw/zinc/26/35/88/818263588.db2.gz UTBTVNLJDLJPAU-UHFFFAOYSA-N 1 3 264.388 3.285 20 30 CGEDHO C=C(C)C[N@H+](CC)Cc1cc(F)cc(CN(C)C)c1 ZINC001232146579 818263597 /nfs/dbraw/zinc/26/35/97/818263597.db2.gz UTBTVNLJDLJPAU-UHFFFAOYSA-N 1 3 264.388 3.285 20 30 CGEDHO Cc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C#N)c1 ZINC001235425141 819093348 /nfs/dbraw/zinc/09/33/48/819093348.db2.gz IKKOZELRDVSFMT-IRXDYDNUSA-N 1 3 297.446 3.078 20 30 CGEDHO CCCCCCC/C=C/CN1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235928862 819228075 /nfs/dbraw/zinc/22/80/75/819228075.db2.gz DKWCUKXDSFFWFM-PIIXRYACSA-N 1 3 264.457 3.444 20 30 CGEDHO CCC#C[C@@H](C)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001307975354 933029077 /nfs/dbraw/zinc/02/90/77/933029077.db2.gz JETJKPUVRIGJKU-MRXNPFEDSA-N 1 3 272.436 3.372 20 30 CGEDHO Cc1cc(C#N)ccc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC001579554077 962636308 /nfs/dbraw/zinc/63/63/08/962636308.db2.gz MPJODGHQLJJKOF-MJGOQNOKSA-N 1 3 297.446 3.221 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000651721070 398275876 /nfs/dbraw/zinc/27/58/76/398275876.db2.gz RUKNOBUJMFSVGI-FJIDUMEYSA-N 1 3 294.483 3.210 20 30 CGEDHO N#CC1(c2ccccc2)CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000591578034 346930328 /nfs/dbraw/zinc/93/03/28/346930328.db2.gz OJPQADLLZOZEFW-JLAWEPINSA-N 1 3 297.446 3.122 20 30 CGEDHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000593323963 347063014 /nfs/dbraw/zinc/06/30/14/347063014.db2.gz UOWWLFMLHFUDDN-ZDUSSCGKSA-N 1 3 297.377 3.268 20 30 CGEDHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(C#N)c(F)c1 ZINC000599069295 347713834 /nfs/dbraw/zinc/71/38/34/347713834.db2.gz FKFNZXZYXKICKQ-UONOGXRCSA-N 1 3 289.398 3.080 20 30 CGEDHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000602020568 347934134 /nfs/dbraw/zinc/93/41/34/347934134.db2.gz MPGNLSMFEISNIE-AEFFLSMTSA-N 1 3 297.446 3.303 20 30 CGEDHO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123056 349981331 /nfs/dbraw/zinc/98/13/31/349981331.db2.gz DXKDKDBATYFXNN-CVEARBPZSA-N 1 3 252.446 3.443 20 30 CGEDHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000422977668 371898602 /nfs/dbraw/zinc/89/86/02/371898602.db2.gz XEOYWBDJRYDRRG-STQMWFEESA-N 1 3 294.402 3.132 20 30 CGEDHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCN1 ZINC000423393543 372060221 /nfs/dbraw/zinc/06/02/21/372060221.db2.gz YSHMJTJHBWBREA-RPVQJOFSSA-N 1 3 283.419 3.056 20 30 CGEDHO N#CCCCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291497593 372169738 /nfs/dbraw/zinc/16/97/38/372169738.db2.gz URKNHDCDZOZQTO-UHFFFAOYSA-N 1 3 297.446 3.278 20 30 CGEDHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449082485 373661256 /nfs/dbraw/zinc/66/12/56/373661256.db2.gz NPTNKULBRCCRIG-MRLCAUJQSA-N 1 3 291.483 3.416 20 30 CGEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000539197594 376297321 /nfs/dbraw/zinc/29/73/21/376297321.db2.gz FNZSNIVYFFZZJT-HOTGVXAUSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCCC[C@H](C)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000539197594 376297326 /nfs/dbraw/zinc/29/73/26/376297326.db2.gz FNZSNIVYFFZZJT-HOTGVXAUSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000539197593 376297408 /nfs/dbraw/zinc/29/74/08/376297408.db2.gz FNZSNIVYFFZZJT-CVEARBPZSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000539197593 376297414 /nfs/dbraw/zinc/29/74/14/376297414.db2.gz FNZSNIVYFFZZJT-CVEARBPZSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCOc1ccc(CN2CCC(CC[NH2+]C)CC2)cc1 ZINC000346645631 378659707 /nfs/dbraw/zinc/65/97/07/378659707.db2.gz DZPRLMLSSRWOGZ-UHFFFAOYSA-N 1 3 288.435 3.073 20 30 CGEDHO Cc1cc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)ccc1C#N ZINC000349153392 379173231 /nfs/dbraw/zinc/17/32/31/379173231.db2.gz RWRNEXXWPBUGSA-IBGZPJMESA-N 1 3 297.446 3.030 20 30 CGEDHO Cc1cc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)ccc1C#N ZINC000349153392 379173238 /nfs/dbraw/zinc/17/32/38/379173238.db2.gz RWRNEXXWPBUGSA-IBGZPJMESA-N 1 3 297.446 3.030 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546385 380359493 /nfs/dbraw/zinc/35/94/93/380359493.db2.gz NWOFFAKNZIBYPZ-LSDHHAIUSA-N 1 3 250.430 3.386 20 30 CGEDHO C[C@H]1C[C@@H](NCC2(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361431163 381744137 /nfs/dbraw/zinc/74/41/37/381744137.db2.gz CJZGXRLCJOHMMM-WMZOPIPTSA-N 1 3 297.446 3.323 20 30 CGEDHO C[C@H]1C[C@@H](NCC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361431163 381744139 /nfs/dbraw/zinc/74/41/39/381744139.db2.gz CJZGXRLCJOHMMM-WMZOPIPTSA-N 1 3 297.446 3.323 20 30 CGEDHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CCCCC#N)CC1 ZINC000363538563 382231914 /nfs/dbraw/zinc/23/19/14/382231914.db2.gz VXWTWBHGUOCRDU-DOTOQJQBSA-N 1 3 277.456 3.313 20 30 CGEDHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCCC#N)CC1 ZINC000363538563 382231922 /nfs/dbraw/zinc/23/19/22/382231922.db2.gz VXWTWBHGUOCRDU-DOTOQJQBSA-N 1 3 277.456 3.313 20 30 CGEDHO C#Cc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000289281928 392419087 /nfs/dbraw/zinc/41/90/87/392419087.db2.gz OTOSLEXAZRJVEG-UHFFFAOYSA-N 1 3 270.420 3.020 20 30 CGEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2cccc(C#N)c2)CC1 ZINC000181717627 392735441 /nfs/dbraw/zinc/73/54/41/392735441.db2.gz CYNYRBSTFFUQAG-OAHLLOKOSA-N 1 3 283.419 3.249 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000187714681 392791155 /nfs/dbraw/zinc/79/11/55/392791155.db2.gz NDCZQCWVLFROHS-ZTFGCOKTSA-N 1 3 283.419 3.035 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000187714681 392791165 /nfs/dbraw/zinc/79/11/65/392791165.db2.gz NDCZQCWVLFROHS-ZTFGCOKTSA-N 1 3 283.419 3.035 20 30 CGEDHO C[C@H](N[C@@H]1CC[C@@H](C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000339078524 392946063 /nfs/dbraw/zinc/94/60/63/392946063.db2.gz DAJBXPMWTXSQOB-WZGPROSRSA-N 1 3 297.446 3.179 20 30 CGEDHO C[C@H](N[C@@H]1CC[C@@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000339078524 392946065 /nfs/dbraw/zinc/94/60/65/392946065.db2.gz DAJBXPMWTXSQOB-WZGPROSRSA-N 1 3 297.446 3.179 20 30 CGEDHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1cccc(C#N)c1 ZINC000038042052 174044404 /nfs/dbraw/zinc/04/44/04/174044404.db2.gz FJSPKOVBEPTSLW-JKSUJKDBSA-N 1 3 285.435 3.331 20 30 CGEDHO C=CCCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCCC1 ZINC000665236185 419086840 /nfs/dbraw/zinc/08/68/40/419086840.db2.gz IZCBXTRTGMXMJG-LSDHHAIUSA-N 1 3 250.430 3.373 20 30 CGEDHO C=C(C)CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675357 419181122 /nfs/dbraw/zinc/18/11/22/419181122.db2.gz IUGTZOKRLZJSHN-UHFFFAOYSA-N 1 3 258.409 3.207 20 30 CGEDHO CC(C)(CCC#N)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000360164847 266689037 /nfs/dbraw/zinc/68/90/37/266689037.db2.gz JDQTWKDLHBBTJA-UHFFFAOYSA-N 1 3 265.445 3.028 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000118397430 278305714 /nfs/dbraw/zinc/30/57/14/278305714.db2.gz YTDQVCPSPFLPHC-MRXNPFEDSA-N 1 3 297.446 3.427 20 30 CGEDHO C[C@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)C1 ZINC000424337097 330343523 /nfs/dbraw/zinc/34/35/23/330343523.db2.gz YWBGMGRVNUDPBI-CWLKWCNXSA-N 1 3 289.467 3.311 20 30 CGEDHO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000536995980 330375343 /nfs/dbraw/zinc/37/53/43/330375343.db2.gz XCYCIUKDRGLSTL-HZPDHXFCSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@@H](C)[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000536995980 330375344 /nfs/dbraw/zinc/37/53/44/330375344.db2.gz XCYCIUKDRGLSTL-HZPDHXFCSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@@H](C)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000536995980 330375345 /nfs/dbraw/zinc/37/53/45/330375345.db2.gz XCYCIUKDRGLSTL-HZPDHXFCSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@@H](C)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000536995980 330375346 /nfs/dbraw/zinc/37/53/46/330375346.db2.gz XCYCIUKDRGLSTL-HZPDHXFCSA-N 1 3 252.446 3.395 20 30 CGEDHO CC(C)N1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174352147 335153272 /nfs/dbraw/zinc/15/32/72/335153272.db2.gz GZJZMJAYDCVKMR-OAHLLOKOSA-N 1 3 265.445 3.026 20 30 CGEDHO C=C(C)CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000381319115 336058968 /nfs/dbraw/zinc/05/89/68/336058968.db2.gz VOJAOCVRLYDRQI-GUDVDZBRSA-N 1 3 284.447 3.453 20 30 CGEDHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(C#N)c1 ZINC000423375808 533924101 /nfs/dbraw/zinc/92/41/01/533924101.db2.gz IWPDSIPEANTEGG-ZDUSSCGKSA-N 1 3 277.371 3.012 20 30 CGEDHO CSc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1C#N ZINC000925773644 619234979 /nfs/dbraw/zinc/23/49/79/619234979.db2.gz NXIYEKJMNWKJQF-LSDHHAIUSA-N 1 3 289.448 3.030 20 30 CGEDHO C=C(Cl)COc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000817961990 632257938 /nfs/dbraw/zinc/25/79/38/632257938.db2.gz FXPMGJHTYPPOGR-DGCLKSJQSA-N 1 3 282.815 3.063 20 30 CGEDHO C=CC(C)(C)CCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000873279395 634315643 /nfs/dbraw/zinc/31/56/43/634315643.db2.gz HKYHVHOOPBVYOJ-CYBMUJFWSA-N 1 3 275.440 3.492 20 30 CGEDHO C=CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000878411819 635495555 /nfs/dbraw/zinc/49/55/55/635495555.db2.gz OOOBWJHMOWGAMA-RRFJBIMHSA-N 1 3 250.430 3.194 20 30 CGEDHO N#CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886522177 637551855 /nfs/dbraw/zinc/55/18/55/637551855.db2.gz DTESFHUEEGZJAX-FHWLQOOXSA-N 1 3 297.446 3.323 20 30 CGEDHO CC(C)[C@@H](CN[C@@H](C)CC(C)(C)C#N)[NH+]1CCCC1 ZINC000924634649 638380184 /nfs/dbraw/zinc/38/01/84/638380184.db2.gz ZTYVXXIQSXXBRG-LSDHHAIUSA-N 1 3 265.445 3.025 20 30 CGEDHO CC[N@@H+]1CC[C@H](N(C)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930000815 638967579 /nfs/dbraw/zinc/96/75/79/638967579.db2.gz RZKYQYIWDFNZJK-APWZRJJASA-N 1 3 299.462 3.337 20 30 CGEDHO CC[N@H+]1CC[C@H](N(C)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930000815 638967582 /nfs/dbraw/zinc/96/75/82/638967582.db2.gz RZKYQYIWDFNZJK-APWZRJJASA-N 1 3 299.462 3.337 20 30 CGEDHO C#CC(C)(C)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255383091 806631335 /nfs/dbraw/zinc/63/13/35/806631335.db2.gz ZSFZOGXGJJOXNM-KRWDZBQOSA-N 1 3 270.420 3.043 20 30 CGEDHO C#CC(C)(C)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383091 806631338 /nfs/dbraw/zinc/63/13/38/806631338.db2.gz ZSFZOGXGJJOXNM-KRWDZBQOSA-N 1 3 270.420 3.043 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+]C1(CC(=O)OC)CCNCC1 ZINC001246362946 804306990 /nfs/dbraw/zinc/30/69/90/804306990.db2.gz JHRGMAXWZGGCHA-HNNXBMFYSA-N 1 3 298.471 3.010 20 30 CGEDHO CCCCCCC[C@H](C)NC1(CC(=O)OC)CC[NH2+]CC1 ZINC001246362946 804307000 /nfs/dbraw/zinc/30/70/00/804307000.db2.gz JHRGMAXWZGGCHA-HNNXBMFYSA-N 1 3 298.471 3.010 20 30 CGEDHO CCCCCCC[C@@H](CCC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246467165 804346635 /nfs/dbraw/zinc/34/66/35/804346635.db2.gz SRBCMVRHPZZNIU-ZACQAIPSSA-N 1 3 284.488 3.482 20 30 CGEDHO CCCCCCC[C@@H](CC)[N@@H+]1CCC2(CNC2)C1 ZINC001246629727 804460675 /nfs/dbraw/zinc/46/06/75/804460675.db2.gz HLHARNBSPQNVLU-OAHLLOKOSA-N 1 3 252.446 3.421 20 30 CGEDHO CCCCCCC[C@@H](CC)[N@H+]1CCC2(CNC2)C1 ZINC001246629727 804460677 /nfs/dbraw/zinc/46/06/77/804460677.db2.gz HLHARNBSPQNVLU-OAHLLOKOSA-N 1 3 252.446 3.421 20 30 CGEDHO C=CC[N@@H+]([C@@H]1CCN[C@@H](C(C)(C)C)C1)C(C)(C)C ZINC001246921889 804601980 /nfs/dbraw/zinc/60/19/80/804601980.db2.gz TUDKCAXWCWIWKC-ZIAGYGMSSA-N 1 3 252.446 3.440 20 30 CGEDHO C=CC[N@H+]([C@@H]1CCN[C@@H](C(C)(C)C)C1)C(C)(C)C ZINC001246921889 804601985 /nfs/dbraw/zinc/60/19/85/804601985.db2.gz TUDKCAXWCWIWKC-ZIAGYGMSSA-N 1 3 252.446 3.440 20 30 CGEDHO C=CCNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168022501 807300543 /nfs/dbraw/zinc/30/05/43/807300543.db2.gz SMUZZWGMWMSTII-GJZGRUSLSA-N 1 3 258.409 3.204 20 30 CGEDHO CCc1cc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)ccc1C#N ZINC001206606762 813372117 /nfs/dbraw/zinc/37/21/17/813372117.db2.gz RQXQSTCEFXOAPD-IBGZPJMESA-N 1 3 299.462 3.473 20 30 CGEDHO CCc1cc(C#N)ccc1CN(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206606835 813373532 /nfs/dbraw/zinc/37/35/32/813373532.db2.gz UIGJMTBPQUTNHC-LJQANCHMSA-N 1 3 299.462 3.473 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121042 349978099 /nfs/dbraw/zinc/97/80/99/349978099.db2.gz MNMZJHAEICUMGU-CVEARBPZSA-N 1 3 252.446 3.443 20 30 CGEDHO CC(C)(C)N1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618805219 349156745 /nfs/dbraw/zinc/15/67/45/349156745.db2.gz FAZDDFOFSHNPDQ-SFHVURJKSA-N 1 3 297.446 3.398 20 30 CGEDHO C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@H]1CCC[NH2+]C1 ZINC000423221996 236000044 /nfs/dbraw/zinc/00/00/44/236000044.db2.gz ZAZGFAVMWRQZEU-UCLAIMLFSA-N 1 3 297.446 3.303 20 30 CGEDHO CC(C)(CCC#N)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564222 370142876 /nfs/dbraw/zinc/14/28/76/370142876.db2.gz XBBQXIIAJGWJOF-MRXNPFEDSA-N 1 3 277.456 3.267 20 30 CGEDHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430341 220078829 /nfs/dbraw/zinc/07/88/29/220078829.db2.gz WIXQGEQWKACWAD-LPHOPBHVSA-N 1 3 297.446 3.256 20 30 CGEDHO N#C[C@@H]1CC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000442653093 373061758 /nfs/dbraw/zinc/06/17/58/373061758.db2.gz QXFJUMQULLIYBW-RTBURBONSA-N 1 3 297.446 3.454 20 30 CGEDHO CCCN1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531269 373446296 /nfs/dbraw/zinc/44/62/96/373446296.db2.gz QNUSASIMSBUDSK-WMZOPIPTSA-N 1 3 285.435 3.331 20 30 CGEDHO C=CC[C@H](CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449238259 373674958 /nfs/dbraw/zinc/67/49/58/373674958.db2.gz QOVDPVLFCAFPMY-MRXNPFEDSA-N 1 3 296.499 3.192 20 30 CGEDHO C=CCC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000178684424 373804727 /nfs/dbraw/zinc/80/47/27/373804727.db2.gz HFXVNLBBQGGUAF-NUJGCVRESA-N 1 3 294.483 3.210 20 30 CGEDHO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000180949459 374062959 /nfs/dbraw/zinc/06/29/59/374062959.db2.gz VCCUCFSRIOEBDB-HUUCEWRRSA-N 1 3 276.424 3.242 20 30 CGEDHO C=C[C@H](C)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336657263 375896418 /nfs/dbraw/zinc/89/64/18/375896418.db2.gz POFBQCSPIBXUFM-UXLLHSPISA-N 1 3 258.409 3.061 20 30 CGEDHO C=C[C@H](C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657263 375896422 /nfs/dbraw/zinc/89/64/22/375896422.db2.gz POFBQCSPIBXUFM-UXLLHSPISA-N 1 3 258.409 3.061 20 30 CGEDHO C=CCCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000279916754 379551140 /nfs/dbraw/zinc/55/11/40/379551140.db2.gz IAAPAWUREXZOIE-HNNXBMFYSA-N 1 3 276.424 3.244 20 30 CGEDHO C=CCOc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414933460 542640707 /nfs/dbraw/zinc/64/07/07/542640707.db2.gz WXEMVTCFAUSMQQ-KGLIPLIRSA-N 1 3 294.826 3.264 20 30 CGEDHO C=CCCN(C)Cc1cncc(C[N@H+](C)CCC=C)c1 ZINC000649471455 393439176 /nfs/dbraw/zinc/43/91/76/393439176.db2.gz WTYFKGPBSWFERF-UHFFFAOYSA-N 1 3 273.424 3.097 20 30 CGEDHO C=CCCN(C)Cc1cncc(C[N@@H+](C)CCC=C)c1 ZINC000649471455 393439181 /nfs/dbraw/zinc/43/91/81/393439181.db2.gz WTYFKGPBSWFERF-UHFFFAOYSA-N 1 3 273.424 3.097 20 30 CGEDHO C[C@H](NCCC(C)(C)C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347223078 226092191 /nfs/dbraw/zinc/09/21/91/226092191.db2.gz KCBXHELVSLEPES-LSDHHAIUSA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@H](NCCC(C)(C)C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347223078 226092195 /nfs/dbraw/zinc/09/21/95/226092195.db2.gz KCBXHELVSLEPES-LSDHHAIUSA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000347223078 226092200 /nfs/dbraw/zinc/09/22/00/226092200.db2.gz KCBXHELVSLEPES-LSDHHAIUSA-N 1 3 277.456 3.169 20 30 CGEDHO C=CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000658114939 419589334 /nfs/dbraw/zinc/58/93/34/419589334.db2.gz SKTDYOFJMSABFP-IPMKNSEASA-N 1 3 284.447 3.453 20 30 CGEDHO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467228 419620839 /nfs/dbraw/zinc/62/08/39/419620839.db2.gz DSRDWGZVIPRVKG-DLBZAZTESA-N 1 3 264.457 3.443 20 30 CGEDHO C#CCCCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000090398517 264399736 /nfs/dbraw/zinc/39/97/36/264399736.db2.gz UEMLQNFHYLUXBO-MRXNPFEDSA-N 1 3 288.435 3.081 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000563425715 328065906 /nfs/dbraw/zinc/06/59/06/328065906.db2.gz QLNCPTDWKYMZGF-BBWFWOEESA-N 1 3 258.409 3.033 20 30 CGEDHO N#C[C@@H]1CC[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000442641178 328505617 /nfs/dbraw/zinc/50/56/17/328505617.db2.gz CTXXGAVEPXPNBN-QZTJIDSGSA-N 1 3 283.419 3.064 20 30 CGEDHO C=C(C)[C@H](N[C@H](C)CCC[NH3+])c1ccc(F)c(F)c1 ZINC000423055113 330167501 /nfs/dbraw/zinc/16/75/01/330167501.db2.gz VVESCYBAHRMGMA-ABAIWWIYSA-N 1 3 268.351 3.299 20 30 CGEDHO C=CCC[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423369846 330194893 /nfs/dbraw/zinc/19/48/93/330194893.db2.gz OYGHWOGWAMYXBZ-RVSPLBMKSA-N 1 3 294.389 3.355 20 30 CGEDHO C=CCOc1ccccc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459730523 331296470 /nfs/dbraw/zinc/29/64/70/331296470.db2.gz KMRKIXAAJUXKIR-INIZCTEOSA-N 1 3 288.435 3.073 20 30 CGEDHO C=CCOc1ccccc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459730523 331296471 /nfs/dbraw/zinc/29/64/71/331296471.db2.gz KMRKIXAAJUXKIR-INIZCTEOSA-N 1 3 288.435 3.073 20 30 CGEDHO C=C(CC)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309908954 333051198 /nfs/dbraw/zinc/05/11/98/333051198.db2.gz LHULBURVTBFOFS-WMZOPIPTSA-N 1 3 272.436 3.453 20 30 CGEDHO C=C(CC)CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309908954 333051199 /nfs/dbraw/zinc/05/11/99/333051199.db2.gz LHULBURVTBFOFS-WMZOPIPTSA-N 1 3 272.436 3.453 20 30 CGEDHO C=C(CC)CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309908954 333051201 /nfs/dbraw/zinc/05/12/01/333051201.db2.gz LHULBURVTBFOFS-WMZOPIPTSA-N 1 3 272.436 3.453 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CCC[C@H](C#N)C2)C1 ZINC000248894309 334321113 /nfs/dbraw/zinc/32/11/13/334321113.db2.gz SYRBQSILSUSYCC-YVSFHVDLSA-N 1 3 291.483 3.415 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H]2CCC[C@H](C#N)C2)C1 ZINC000248894309 334321115 /nfs/dbraw/zinc/32/11/15/334321115.db2.gz SYRBQSILSUSYCC-YVSFHVDLSA-N 1 3 291.483 3.415 20 30 CGEDHO C=CCOc1ccc(CN(CCC)C2CC[NH2+]CC2)cc1 ZINC000347100645 526863644 /nfs/dbraw/zinc/86/36/44/526863644.db2.gz LSXBOOXXZRKECR-UHFFFAOYSA-N 1 3 288.435 3.215 20 30 CGEDHO C=CCOc1ccc(C[N@@H+](CCC)C2CCNCC2)cc1 ZINC000347100645 526863646 /nfs/dbraw/zinc/86/36/46/526863646.db2.gz LSXBOOXXZRKECR-UHFFFAOYSA-N 1 3 288.435 3.215 20 30 CGEDHO C=CCOc1ccc(C[N@H+](CCC)C2CCNCC2)cc1 ZINC000347100645 526863650 /nfs/dbraw/zinc/86/36/50/526863650.db2.gz LSXBOOXXZRKECR-UHFFFAOYSA-N 1 3 288.435 3.215 20 30 CGEDHO C[C@@H](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N(C)C ZINC000895296548 619799302 /nfs/dbraw/zinc/79/93/02/619799302.db2.gz OOMYOVKEYZIIGK-IVMQYODDSA-N 1 3 299.462 3.320 20 30 CGEDHO CN(C)CC(C)(C)C[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000898306059 620509132 /nfs/dbraw/zinc/50/91/32/620509132.db2.gz DBMWGEJRAZNLSL-UHFFFAOYSA-N 1 3 299.462 3.261 20 30 CGEDHO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000898306059 620509135 /nfs/dbraw/zinc/50/91/35/620509135.db2.gz DBMWGEJRAZNLSL-UHFFFAOYSA-N 1 3 299.462 3.261 20 30 CGEDHO N#Cc1ccc(C2CCN(C[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903823769 621816633 /nfs/dbraw/zinc/81/66/33/621816633.db2.gz JPROSTXKHCILFA-KRWDZBQOSA-N 1 3 297.446 3.127 20 30 CGEDHO C=CCCC[N@@H+](CC)Cc1cc2c(s1)CCNC2 ZINC000904475019 621925592 /nfs/dbraw/zinc/92/55/92/621925592.db2.gz XODXDGRSBXUUBO-UHFFFAOYSA-N 1 3 264.438 3.182 20 30 CGEDHO C=CCCC[N@H+](CC)Cc1cc2c(s1)CCNC2 ZINC000904475019 621925597 /nfs/dbraw/zinc/92/55/97/621925597.db2.gz XODXDGRSBXUUBO-UHFFFAOYSA-N 1 3 264.438 3.182 20 30 CGEDHO C=CCCCCC[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000793568059 629484737 /nfs/dbraw/zinc/48/47/37/629484737.db2.gz RKEJGWBZYLAHTF-KRWDZBQOSA-N 1 3 295.515 3.127 20 30 CGEDHO C#C[C@@H](NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C(C)C ZINC000824364193 633235649 /nfs/dbraw/zinc/23/56/49/633235649.db2.gz WAJPAJNLAWEADZ-FXAWDEMLSA-N 1 3 298.474 3.329 20 30 CGEDHO C=CCCC(C)(C)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873212588 634286099 /nfs/dbraw/zinc/28/60/99/634286099.db2.gz OSDQRZACNZWGAK-UHFFFAOYSA-N 1 3 264.438 3.228 20 30 CGEDHO C[C@@H](CN[C@@H](C)CC(C)(C)C#N)C[NH+]1CCCCC1 ZINC000924723078 638394355 /nfs/dbraw/zinc/39/43/55/638394355.db2.gz VWZWHFKATXGPGV-GJZGRUSLSA-N 1 3 265.445 3.026 20 30 CGEDHO C[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)CN1CCCCC1 ZINC000924723078 638394360 /nfs/dbraw/zinc/39/43/60/638394360.db2.gz VWZWHFKATXGPGV-GJZGRUSLSA-N 1 3 265.445 3.026 20 30 CGEDHO CCCCCCCC[C@H](O)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001252130094 806014418 /nfs/dbraw/zinc/01/44/18/806014418.db2.gz KXQNDLSWZBFTHX-KRWDZBQOSA-N 1 3 296.499 3.126 20 30 CGEDHO N#C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@H]2CCN2CCCC2)C1 ZINC001254669003 806479405 /nfs/dbraw/zinc/47/94/05/806479405.db2.gz MMHBTJGUOOCTKM-ZACQAIPSSA-N 1 3 275.440 3.019 20 30 CGEDHO N#C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H]2CCN2CCCC2)C1 ZINC001254669003 806479408 /nfs/dbraw/zinc/47/94/08/806479408.db2.gz MMHBTJGUOOCTKM-ZACQAIPSSA-N 1 3 275.440 3.019 20 30 CGEDHO CCC(CC)[NH+]1CCC(CN[C@@H](CC)CC#N)CC1 ZINC001255161076 806559434 /nfs/dbraw/zinc/55/94/34/806559434.db2.gz UHKGRTMJRHTVQT-HNNXBMFYSA-N 1 3 265.445 3.169 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CNCC1(C)C[NH2+]C1 ZINC001245997214 804095043 /nfs/dbraw/zinc/09/50/43/804095043.db2.gz WZIURKJHKXBKHJ-MRXNPFEDSA-N 1 3 284.488 3.077 20 30 CGEDHO C=CCCCCCC[C@@H](O)CNC[C@H]([NH3+])c1ccccc1 ZINC001245994785 804096532 /nfs/dbraw/zinc/09/65/32/804096532.db2.gz PRLOKHUGBBSSSW-MSOLQXFVSA-N 1 3 290.451 3.164 20 30 CGEDHO CCCCCCCC[C@H](O)CNCC[C@H]1CCCC[NH2+]1 ZINC001246002191 804098712 /nfs/dbraw/zinc/09/87/12/804098712.db2.gz NNEBZCNNPDBNJF-SJORKVTESA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246032153 804102100 /nfs/dbraw/zinc/10/21/00/804102100.db2.gz RTGVLSZLKKMFJI-IXDOHACOSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246032153 804102103 /nfs/dbraw/zinc/10/21/03/804102103.db2.gz RTGVLSZLKKMFJI-IXDOHACOSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CC12CNC2 ZINC001246443934 804334121 /nfs/dbraw/zinc/33/41/21/804334121.db2.gz IOXDPLOXAXYLNK-HUUCEWRRSA-N 1 3 252.446 3.467 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3C[C@H](CN)CC[C@@H]3C)C[C@H](C1)C2 ZINC001246592782 804435433 /nfs/dbraw/zinc/43/54/33/804435433.db2.gz QREVKCVDTTVVFJ-UIJGJVKASA-N 1 3 262.441 3.181 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3C[C@H](CN)CC[C@@H]3C)C[C@H](C1)C2 ZINC001246592782 804435437 /nfs/dbraw/zinc/43/54/37/804435437.db2.gz QREVKCVDTTVVFJ-UIJGJVKASA-N 1 3 262.441 3.181 20 30 CGEDHO CCCCCCC[C@H](CCC)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246658523 804482337 /nfs/dbraw/zinc/48/23/37/804482337.db2.gz CNPVNVNXDQWTPN-JONQDZQNSA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCC[C@H](CCC)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246658523 804482339 /nfs/dbraw/zinc/48/23/39/804482339.db2.gz CNPVNVNXDQWTPN-JONQDZQNSA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246867629 804570170 /nfs/dbraw/zinc/57/01/70/804570170.db2.gz PSZCCODVNANGRB-PMPSAXMXSA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246867629 804570173 /nfs/dbraw/zinc/57/01/73/804570173.db2.gz PSZCCODVNANGRB-PMPSAXMXSA-N 1 3 252.446 3.419 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+](CCC)CCCN)C[C@H](C1)C2 ZINC001257886848 807238080 /nfs/dbraw/zinc/23/80/80/807238080.db2.gz NRMUCOCRLQNTLI-XYPWUTKMSA-N 1 3 250.430 3.182 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+](CCC)CCCN)C[C@H](C1)C2 ZINC001257886848 807238082 /nfs/dbraw/zinc/23/80/82/807238082.db2.gz NRMUCOCRLQNTLI-XYPWUTKMSA-N 1 3 250.430 3.182 20 30 CGEDHO C[C@@H]1C[C@@H](NCCCC#N)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168021536 807301156 /nfs/dbraw/zinc/30/11/56/807301156.db2.gz PUNWMOXNXCGFKC-ALXJQNPVSA-N 1 3 285.435 3.321 20 30 CGEDHO C[C@@H]1C[C@@H](NCCCC#N)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168021536 807301165 /nfs/dbraw/zinc/30/11/65/807301165.db2.gz PUNWMOXNXCGFKC-ALXJQNPVSA-N 1 3 285.435 3.321 20 30 CGEDHO CCC(CC)[N@@H+]1CC[C@H](N[C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172300513 808220753 /nfs/dbraw/zinc/22/07/53/808220753.db2.gz WLDWFWXYRIULMT-QAPCUYQASA-N 1 3 299.462 3.342 20 30 CGEDHO CCC(CC)[N@H+]1CC[C@H](N[C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172300513 808220757 /nfs/dbraw/zinc/22/07/57/808220757.db2.gz WLDWFWXYRIULMT-QAPCUYQASA-N 1 3 299.462 3.342 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)CC1 ZINC001208178311 813728602 /nfs/dbraw/zinc/72/86/02/813728602.db2.gz PXPZCBCDEADLRH-SQNIBIBYSA-N 1 3 274.452 3.315 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2C[C@H]3[C@H](C2)CCC[N@@H+]3C)CC1 ZINC001208178311 813728608 /nfs/dbraw/zinc/72/86/08/813728608.db2.gz PXPZCBCDEADLRH-SQNIBIBYSA-N 1 3 274.452 3.315 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN(C)C[C@H]2CCC[NH2+]C2)CC1 ZINC001235952481 819243466 /nfs/dbraw/zinc/24/34/66/819243466.db2.gz XZUIZNXAFDUWQA-DLBZAZTESA-N 1 3 262.441 3.220 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001462661835 937657976 /nfs/dbraw/zinc/65/79/76/937657976.db2.gz CCDVLSVZWNDLPK-FXUDXRNXSA-N 1 3 250.430 3.051 20 30 CGEDHO CCC#C[C@@H](C)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001473104125 937792601 /nfs/dbraw/zinc/79/26/01/937792601.db2.gz GLEIDXZYVVNQQC-QGZVFWFLSA-N 1 3 276.468 3.376 20 30 CGEDHO N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC1CC[NH2+]CC1 ZINC001580036494 962689026 /nfs/dbraw/zinc/68/90/26/962689026.db2.gz XCDOJUOUZHEQRI-RBUKOAKNSA-N 1 3 297.446 3.148 20 30 CGEDHO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CN(C)C ZINC000589949325 346817880 /nfs/dbraw/zinc/81/78/80/346817880.db2.gz RRDCPRGDCWNHSX-IPJUCJBFSA-N 1 3 299.462 3.178 20 30 CGEDHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000591570980 346929260 /nfs/dbraw/zinc/92/92/60/346929260.db2.gz NQYHZHASJANZDI-QWHCGFSZSA-N 1 3 294.402 3.132 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000591581352 346930204 /nfs/dbraw/zinc/93/02/04/346930204.db2.gz QXWQADILVXIXJH-JZXOWHBKSA-N 1 3 283.419 3.185 20 30 CGEDHO C[N@@H+]1C[C@@H](CN[C@@H]2CCC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404323 346985220 /nfs/dbraw/zinc/98/52/20/346985220.db2.gz XMFXXROJZBEGEP-OWYHZJEWSA-N 1 3 297.446 3.004 20 30 CGEDHO C[N@H+]1C[C@@H](CN[C@@H]2CCC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404323 346985221 /nfs/dbraw/zinc/98/52/21/346985221.db2.gz XMFXXROJZBEGEP-OWYHZJEWSA-N 1 3 297.446 3.004 20 30 CGEDHO C[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)CC1(CC#N)CC1 ZINC000383095611 346562130 /nfs/dbraw/zinc/56/21/30/346562130.db2.gz ZEYQBYZKCJKBOZ-GOSISDBHSA-N 1 3 297.446 3.134 20 30 CGEDHO C[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)CC1(CC#N)CC1 ZINC000383095611 346562134 /nfs/dbraw/zinc/56/21/34/346562134.db2.gz ZEYQBYZKCJKBOZ-GOSISDBHSA-N 1 3 297.446 3.134 20 30 CGEDHO N#CCCC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000594584532 347195590 /nfs/dbraw/zinc/19/55/90/347195590.db2.gz TVZFUTAQRREBRQ-IKGGRYGDSA-N 1 3 271.408 3.281 20 30 CGEDHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594501898 347180310 /nfs/dbraw/zinc/18/03/10/347180310.db2.gz DSDVEBLLNZKQPG-KRWDZBQOSA-N 1 3 299.462 3.309 20 30 CGEDHO CN1CCCC[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000598993884 347704752 /nfs/dbraw/zinc/70/47/52/347704752.db2.gz DNASJDGGYBNFQU-QGZVFWFLSA-N 1 3 299.462 3.309 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000611390992 348444254 /nfs/dbraw/zinc/44/42/54/348444254.db2.gz YZVQOPIMAKNVBF-DNVCBOLYSA-N 1 3 295.430 3.010 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000611390992 348444257 /nfs/dbraw/zinc/44/42/57/348444257.db2.gz YZVQOPIMAKNVBF-DNVCBOLYSA-N 1 3 295.430 3.010 20 30 CGEDHO C[C@@H]1CCC[N@H+](CCCCNCc2cccc(C#N)c2)C1 ZINC000067691712 369726274 /nfs/dbraw/zinc/72/62/74/369726274.db2.gz CVJNTWSZCHVQNS-MRXNPFEDSA-N 1 3 285.435 3.160 20 30 CGEDHO C[C@@H]1CCC[N@@H+](CCCCNCc2cccc(C#N)c2)C1 ZINC000067691712 369726279 /nfs/dbraw/zinc/72/62/79/369726279.db2.gz CVJNTWSZCHVQNS-MRXNPFEDSA-N 1 3 285.435 3.160 20 30 CGEDHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449082486 373661875 /nfs/dbraw/zinc/66/18/75/373661875.db2.gz NPTNKULBRCCRIG-OQSMONGASA-N 1 3 291.483 3.416 20 30 CGEDHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1ccc(C#N)cc1F ZINC000353669822 220240147 /nfs/dbraw/zinc/24/01/47/220240147.db2.gz JDVHYWYSQDPGSD-LRVUVFPRSA-N 1 3 289.398 3.221 20 30 CGEDHO C[N@@H+]1CCC[C@@H]2CN(CCC3(C#N)CCCCC3)CC[C@H]21 ZINC000334557475 374856364 /nfs/dbraw/zinc/85/63/64/374856364.db2.gz HILARIDLGOBJJP-IAGOWNOFSA-N 1 3 289.467 3.267 20 30 CGEDHO C[N@H+]1CCC[C@@H]2CN(CCC3(C#N)CCCCC3)CC[C@H]21 ZINC000334557475 374856368 /nfs/dbraw/zinc/85/63/68/374856368.db2.gz HILARIDLGOBJJP-IAGOWNOFSA-N 1 3 289.467 3.267 20 30 CGEDHO CN1CCC[C@@H]2C[N@H+](CCC3(C#N)CCCCC3)CC[C@H]21 ZINC000334557475 374856372 /nfs/dbraw/zinc/85/63/72/374856372.db2.gz HILARIDLGOBJJP-IAGOWNOFSA-N 1 3 289.467 3.267 20 30 CGEDHO CN1CCC[C@@H]2C[N@@H+](CCC3(C#N)CCCCC3)CC[C@H]21 ZINC000334557475 374856374 /nfs/dbraw/zinc/85/63/74/374856374.db2.gz HILARIDLGOBJJP-IAGOWNOFSA-N 1 3 289.467 3.267 20 30 CGEDHO C=C(C)CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000509393742 375780255 /nfs/dbraw/zinc/78/02/55/375780255.db2.gz RSSAJCDKEPLQBH-IRXDYDNUSA-N 1 3 294.483 3.164 20 30 CGEDHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000343552300 378017166 /nfs/dbraw/zinc/01/71/66/378017166.db2.gz NXLHTWFEWCJOFC-GOSISDBHSA-N 1 3 285.435 3.059 20 30 CGEDHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343552300 378017170 /nfs/dbraw/zinc/01/71/70/378017170.db2.gz NXLHTWFEWCJOFC-GOSISDBHSA-N 1 3 285.435 3.059 20 30 CGEDHO C=CCOc1cccc(CN2CCC(C[NH2+]CC)CC2)c1 ZINC000347017856 378704156 /nfs/dbraw/zinc/70/41/56/378704156.db2.gz KPLGURAKMIJKND-UHFFFAOYSA-N 1 3 288.435 3.073 20 30 CGEDHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)c1ccc(C#N)cc1 ZINC000276673722 378979213 /nfs/dbraw/zinc/97/92/13/378979213.db2.gz ZIKVDLAAKFZTPS-OAHLLOKOSA-N 1 3 285.435 3.331 20 30 CGEDHO C=CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000662299872 419387591 /nfs/dbraw/zinc/38/75/91/419387591.db2.gz YUFSHAAFSAEQFZ-HNNXBMFYSA-N 1 3 270.420 3.120 20 30 CGEDHO C=CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000662299872 419387597 /nfs/dbraw/zinc/38/75/97/419387597.db2.gz YUFSHAAFSAEQFZ-HNNXBMFYSA-N 1 3 270.420 3.120 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CC1 ZINC000663469293 419618865 /nfs/dbraw/zinc/61/88/65/419618865.db2.gz PORMNSULSPDLMV-AEFFLSMTSA-N 1 3 276.468 3.443 20 30 CGEDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185868748 329333879 /nfs/dbraw/zinc/33/38/79/329333879.db2.gz WRHGDBDJPWCFNW-GVDBMIGSSA-N 1 3 277.456 3.026 20 30 CGEDHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185868748 329333880 /nfs/dbraw/zinc/33/38/80/329333880.db2.gz WRHGDBDJPWCFNW-GVDBMIGSSA-N 1 3 277.456 3.026 20 30 CGEDHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185868748 329333882 /nfs/dbraw/zinc/33/38/82/329333882.db2.gz WRHGDBDJPWCFNW-GVDBMIGSSA-N 1 3 277.456 3.026 20 30 CGEDHO C=C[C@@H]1CCCCN1CCOCC[N@@H+]1CCCC[C@H]1C=C ZINC000489430764 332051975 /nfs/dbraw/zinc/05/19/75/332051975.db2.gz DJKLKMXKANCBLZ-QZTJIDSGSA-N 1 3 292.467 3.084 20 30 CGEDHO C=C[C@@H]1CCCCN1CCOCC[N@H+]1CCCC[C@H]1C=C ZINC000489430764 332051977 /nfs/dbraw/zinc/05/19/77/332051977.db2.gz DJKLKMXKANCBLZ-QZTJIDSGSA-N 1 3 292.467 3.084 20 30 CGEDHO C=CCCC[N@H+]1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1 ZINC000344587151 527197306 /nfs/dbraw/zinc/19/73/06/527197306.db2.gz RZYQJXQCQARQIN-OAGGEKHMSA-N 1 3 250.430 3.290 20 30 CGEDHO C=CCCC[N@@H+]1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1 ZINC000344587151 527197313 /nfs/dbraw/zinc/19/73/13/527197313.db2.gz RZYQJXQCQARQIN-OAGGEKHMSA-N 1 3 250.430 3.290 20 30 CGEDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000925588243 619075830 /nfs/dbraw/zinc/07/58/30/619075830.db2.gz PAOJYZFQATVYAL-JKSUJKDBSA-N 1 3 279.472 3.272 20 30 CGEDHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000925588243 619075831 /nfs/dbraw/zinc/07/58/31/619075831.db2.gz PAOJYZFQATVYAL-JKSUJKDBSA-N 1 3 279.472 3.272 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2ccc(OC)c(C)c2)CC1 ZINC000237322046 620233136 /nfs/dbraw/zinc/23/31/36/620233136.db2.gz AMUDFLGGHOSBAQ-UHFFFAOYSA-N 1 3 288.435 3.134 20 30 CGEDHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(C#N)c1 ZINC000903069452 621567645 /nfs/dbraw/zinc/56/76/45/621567645.db2.gz HDLUJGQSJYCCSS-FUHWJXTLSA-N 1 3 285.435 3.331 20 30 CGEDHO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(SC)c(F)c1 ZINC000815651832 631814280 /nfs/dbraw/zinc/81/42/80/631814280.db2.gz FNCIVWXYXUNHHK-ZDUSSCGKSA-N 1 3 294.439 3.153 20 30 CGEDHO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(SC)c(F)c1 ZINC000815651832 631814283 /nfs/dbraw/zinc/81/42/83/631814283.db2.gz FNCIVWXYXUNHHK-ZDUSSCGKSA-N 1 3 294.439 3.153 20 30 CGEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](N)CC)cc1 ZINC000817979725 632270333 /nfs/dbraw/zinc/27/03/33/632270333.db2.gz NSLYYNVLSHSYFR-TZMCWYRMSA-N 1 3 282.815 3.206 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C1 ZINC000845943029 636121607 /nfs/dbraw/zinc/12/16/07/636121607.db2.gz XQXRLTXDTQWFOF-WCVJEAGWSA-N 1 3 250.430 3.194 20 30 CGEDHO C[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccc(C#N)c1 ZINC000925622443 638547872 /nfs/dbraw/zinc/54/78/72/638547872.db2.gz LFRWMRSNDIIVIU-MAZHCROVSA-N 1 3 271.408 3.115 20 30 CGEDHO N#CC1CCC(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925655082 638557629 /nfs/dbraw/zinc/55/76/29/638557629.db2.gz PKHWMTVVRMYNTI-RLNQZENFSA-N 1 3 289.467 3.074 20 30 CGEDHO N#CC1CCC(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925655083 638558118 /nfs/dbraw/zinc/55/81/18/638558118.db2.gz PKHWMTVVRMYNTI-UQVLAFNGSA-N 1 3 289.467 3.074 20 30 CGEDHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCCC1(C#N)CCC1)C2 ZINC000930600826 639035371 /nfs/dbraw/zinc/03/53/71/639035371.db2.gz BOPPQZOENQRUPE-SFHVURJKSA-N 1 3 289.467 3.268 20 30 CGEDHO C[N@H+]1CC[C@]2(C1)CCCN(CCCCC1(C#N)CCC1)C2 ZINC000930600826 639035379 /nfs/dbraw/zinc/03/53/79/639035379.db2.gz BOPPQZOENQRUPE-SFHVURJKSA-N 1 3 289.467 3.268 20 30 CGEDHO CCc1cccc(NC(=[NH2+])NCCN(C(C)C)C(C)C)c1 ZINC000303700650 640839274 /nfs/dbraw/zinc/83/92/74/640839274.db2.gz HQQBGHIVPUHDMG-UHFFFAOYSA-N 1 3 290.455 3.094 20 30 CGEDHO C#C[C@@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)C ZINC000716624124 800177247 /nfs/dbraw/zinc/17/72/47/800177247.db2.gz DKFIAUDUOLTHJC-ZGXWSNOMSA-N 1 3 296.458 3.287 20 30 CGEDHO C#C[C@@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716624124 800177251 /nfs/dbraw/zinc/17/72/51/800177251.db2.gz DKFIAUDUOLTHJC-ZGXWSNOMSA-N 1 3 296.458 3.287 20 30 CGEDHO C#C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716624124 800177252 /nfs/dbraw/zinc/17/72/52/800177252.db2.gz DKFIAUDUOLTHJC-ZGXWSNOMSA-N 1 3 296.458 3.287 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN[C@H]1C[C@@](C)([NH3+])C1 ZINC001246010021 804099041 /nfs/dbraw/zinc/09/90/41/804099041.db2.gz LPSMPBSHLOIZQX-ZACQAIPSSA-N 1 3 284.488 3.348 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[NH2+]CC(C)(C)CN ZINC001246007328 804099237 /nfs/dbraw/zinc/09/92/37/804099237.db2.gz ZLLUSERQUZHVEI-INIZCTEOSA-N 1 3 286.504 3.453 20 30 CGEDHO CCCCCCCC[C@H](CC)N[C@@H]1COCCC12C[NH2+]C2 ZINC001246139926 804163691 /nfs/dbraw/zinc/16/36/91/804163691.db2.gz YIQNPHAWLRYFLT-DLBZAZTESA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCCC[C@H](CC)[NH2+][C@@H]1COCCC12CNC2 ZINC001246139926 804163696 /nfs/dbraw/zinc/16/36/96/804163696.db2.gz YIQNPHAWLRYFLT-DLBZAZTESA-N 1 3 296.499 3.484 20 30 CGEDHO C=C1C[C@@H]2CC([NH2+]C3(CC)CCNCC3)C[C@H](C1)C2 ZINC001246423624 804328160 /nfs/dbraw/zinc/32/81/60/804328160.db2.gz MPPJWNXSTZVJRH-XYPWUTKMSA-N 1 3 262.441 3.243 20 30 CGEDHO CCCCCCCCCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246585072 804427982 /nfs/dbraw/zinc/42/79/82/804427982.db2.gz MWPSTGXPMPGUJN-IXDOHACOSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCCCCC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246585072 804427987 /nfs/dbraw/zinc/42/79/87/804427987.db2.gz MWPSTGXPMPGUJN-IXDOHACOSA-N 1 3 284.488 3.157 20 30 CGEDHO C=C1C[C@@H]2CC(N3CCC[C@@]4(CCC[NH2+]4)C3)C[C@H](C1)C2 ZINC001246623393 804455368 /nfs/dbraw/zinc/45/53/68/804455368.db2.gz SRUAHKMLMCUZAW-WFFDWFOESA-N 1 3 274.452 3.339 20 30 CGEDHO CCCCCCC[C@H](CC)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246622239 804455397 /nfs/dbraw/zinc/45/53/97/804455397.db2.gz HJUWSONJYNDULW-IXDOHACOSA-N 1 3 282.472 3.046 20 30 CGEDHO CC[C@@H]1C[C@H](N2CCC(C#Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246924236 804603661 /nfs/dbraw/zinc/60/36/61/804603661.db2.gz QJUIIQUIDFUACD-WOJBJXKFSA-N 1 3 296.458 3.281 20 30 CGEDHO C[C@H](CN)C[N@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013150 807028553 /nfs/dbraw/zinc/02/85/53/807028553.db2.gz BCAINEOFEKCUKN-RWBZWWBESA-N 1 3 285.435 3.111 20 30 CGEDHO C[C@H](CN)C[N@@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013150 807028558 /nfs/dbraw/zinc/02/85/58/807028558.db2.gz BCAINEOFEKCUKN-RWBZWWBESA-N 1 3 285.435 3.111 20 30 CGEDHO CC(C)CN1CCC([NH2+][C@@H]2CCc3c2cccc3C#N)CC1 ZINC001258005055 807264335 /nfs/dbraw/zinc/26/43/35/807264335.db2.gz OFEMTOLWUWFBTC-LJQANCHMSA-N 1 3 297.446 3.256 20 30 CGEDHO CCCCCCC[N@H+](CC)Cc1ccc2n1CCNC2 ZINC001235660466 819132171 /nfs/dbraw/zinc/13/21/71/819132171.db2.gz FDBUZTHRXXZJKN-UHFFFAOYSA-N 1 3 277.456 3.384 20 30 CGEDHO CCCCCCC[N@@H+](CC)Cc1ccc2n1CCNC2 ZINC001235660466 819132176 /nfs/dbraw/zinc/13/21/76/819132176.db2.gz FDBUZTHRXXZJKN-UHFFFAOYSA-N 1 3 277.456 3.384 20 30 CGEDHO CC[C@H]([NH2+]CCCN1CCCC1)c1cccc(C#N)c1 ZINC001339195470 936358367 /nfs/dbraw/zinc/35/83/67/936358367.db2.gz QGRUJPHBLYHGLI-KRWDZBQOSA-N 1 3 271.408 3.085 20 30 CGEDHO C[NH+](C)[C@H]1CCCN(CCCCC2(C#N)CCC2)CC1 ZINC001354711694 937110944 /nfs/dbraw/zinc/11/09/44/937110944.db2.gz SPOXMNWBTJRDNW-INIZCTEOSA-N 1 3 277.456 3.267 20 30 CGEDHO CN(C)[C@H]1CCC[N@H+](CCCCC2(C#N)CCC2)CC1 ZINC001354711694 937110946 /nfs/dbraw/zinc/11/09/46/937110946.db2.gz SPOXMNWBTJRDNW-INIZCTEOSA-N 1 3 277.456 3.267 20 30 CGEDHO CN(C)[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)CC1 ZINC001354711694 937110948 /nfs/dbraw/zinc/11/09/48/937110948.db2.gz SPOXMNWBTJRDNW-INIZCTEOSA-N 1 3 277.456 3.267 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C1 ZINC000651808195 398290687 /nfs/dbraw/zinc/29/06/87/398290687.db2.gz ISRILVZYJCZORV-OAGGEKHMSA-N 1 3 250.430 3.051 20 30 CGEDHO CC(C)N1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594493080 347177534 /nfs/dbraw/zinc/17/75/34/347177534.db2.gz GINOLZOMRQEIMN-UHFFFAOYSA-N 1 3 299.462 3.450 20 30 CGEDHO CC1(C#N)CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000596059503 347377940 /nfs/dbraw/zinc/37/79/40/347377940.db2.gz PETIVRDDJASZEF-WWDZGPRUSA-N 1 3 289.467 3.170 20 30 CGEDHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1cccc(C#N)c1 ZINC000602018349 347933384 /nfs/dbraw/zinc/93/33/84/347933384.db2.gz AMNKEMXHIAXLTA-CQSZACIVSA-N 1 3 291.398 3.055 20 30 CGEDHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(C#N)c1 ZINC000178176377 189095468 /nfs/dbraw/zinc/09/54/68/189095468.db2.gz QRWOANQIHHEIEO-AWEZNQCLSA-N 1 3 283.419 3.083 20 30 CGEDHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442722176 373070175 /nfs/dbraw/zinc/07/01/75/373070175.db2.gz UYIPXNPJSBMNLQ-MAUKXSAKSA-N 1 3 285.435 3.309 20 30 CGEDHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442722176 373070179 /nfs/dbraw/zinc/07/01/79/373070179.db2.gz UYIPXNPJSBMNLQ-MAUKXSAKSA-N 1 3 285.435 3.309 20 30 CGEDHO CN1CC=C(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000335680427 375341536 /nfs/dbraw/zinc/34/15/36/375341536.db2.gz YQUIBNXTDOINKR-LJQANCHMSA-N 1 3 295.430 3.177 20 30 CGEDHO C=C(C)CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000516513564 375820846 /nfs/dbraw/zinc/82/08/46/375820846.db2.gz ZHOCPFFCGDRWOA-HNNXBMFYSA-N 1 3 278.465 3.386 20 30 CGEDHO C=C(C)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000516513564 375820854 /nfs/dbraw/zinc/82/08/54/375820854.db2.gz ZHOCPFFCGDRWOA-HNNXBMFYSA-N 1 3 278.465 3.386 20 30 CGEDHO C=CCCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000570038346 377532491 /nfs/dbraw/zinc/53/24/91/377532491.db2.gz YNLBWYUQBQYKQR-MRXNPFEDSA-N 1 3 250.430 3.151 20 30 CGEDHO C=CCCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000570038346 377532500 /nfs/dbraw/zinc/53/25/00/377532500.db2.gz YNLBWYUQBQYKQR-MRXNPFEDSA-N 1 3 250.430 3.151 20 30 CGEDHO C=CCCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000570038346 377532506 /nfs/dbraw/zinc/53/25/06/377532506.db2.gz YNLBWYUQBQYKQR-MRXNPFEDSA-N 1 3 250.430 3.151 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+]C[C@@H]1CNCC[C@H]1F ZINC001246223051 804217044 /nfs/dbraw/zinc/21/70/44/804217044.db2.gz PJEGNVVLPKMCFI-SOUVJXGZSA-N 1 3 258.425 3.273 20 30 CGEDHO C#CCCC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000376197008 379527629 /nfs/dbraw/zinc/52/76/29/379527629.db2.gz PQUFTQXHZAMGKW-DOTOQJQBSA-N 1 3 262.441 3.033 20 30 CGEDHO C#CCCCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000376197008 379527638 /nfs/dbraw/zinc/52/76/38/379527638.db2.gz PQUFTQXHZAMGKW-DOTOQJQBSA-N 1 3 262.441 3.033 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643549038 380366457 /nfs/dbraw/zinc/36/64/57/380366457.db2.gz ZIROJZGCYJCOEF-LSDHHAIUSA-N 1 3 250.430 3.386 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643549036 380366656 /nfs/dbraw/zinc/36/66/56/380366656.db2.gz ZIROJZGCYJCOEF-GJZGRUSLSA-N 1 3 250.430 3.386 20 30 CGEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181717378 392736156 /nfs/dbraw/zinc/73/61/56/392736156.db2.gz PSSUDMGMFALGCB-OAHLLOKOSA-N 1 3 283.419 3.249 20 30 CGEDHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCCSCC#N ZINC000360948954 393621378 /nfs/dbraw/zinc/62/13/78/393621378.db2.gz XQAQQRCKQGICLR-HZPDHXFCSA-N 1 3 297.512 3.123 20 30 CGEDHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000423289437 286927373 /nfs/dbraw/zinc/92/73/73/286927373.db2.gz AVXVZDQRNFWCGW-KGLIPLIRSA-N 1 3 279.387 3.429 20 30 CGEDHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000020146270 287023806 /nfs/dbraw/zinc/02/38/06/287023806.db2.gz KGPJIFRYMRHPCT-MRXNPFEDSA-N 1 3 285.435 3.331 20 30 CGEDHO C[C@@H](c1ccc(C#N)cc1)N1CCC(CC[NH+](C)C)CC1 ZINC000118532687 287130913 /nfs/dbraw/zinc/13/09/13/287130913.db2.gz LBRGXGWMOHHUIO-HNNXBMFYSA-N 1 3 285.435 3.283 20 30 CGEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000657824385 419372926 /nfs/dbraw/zinc/37/29/26/419372926.db2.gz QHZBGBSJAJIHOK-HZPDHXFCSA-N 1 3 250.430 3.197 20 30 CGEDHO C=CCC[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000658116703 419592166 /nfs/dbraw/zinc/59/21/66/419592166.db2.gz NRSFUZIJVMODAY-ZBFHGGJFSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000658116703 419592172 /nfs/dbraw/zinc/59/21/72/419592172.db2.gz NRSFUZIJVMODAY-ZBFHGGJFSA-N 1 3 250.430 3.195 20 30 CGEDHO C=C(C)C[NH+]1CCC(NC/C=C/c2ccc(F)cc2)CC1 ZINC000127784913 264269866 /nfs/dbraw/zinc/26/98/66/264269866.db2.gz QHASNGSXFLWSDG-ONEGZZNKSA-N 1 3 288.410 3.469 20 30 CGEDHO CC(C)(C#N)CCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000174870677 329164229 /nfs/dbraw/zinc/16/42/29/329164229.db2.gz QFZQMJYJBNCKTM-INIZCTEOSA-N 1 3 277.456 3.267 20 30 CGEDHO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000537049247 330394842 /nfs/dbraw/zinc/39/48/42/330394842.db2.gz YGWRMGMJXCFIJR-NVXWUHKLSA-N 1 3 264.457 3.395 20 30 CGEDHO C=CCCC[C@@H](C)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000537049247 330394843 /nfs/dbraw/zinc/39/48/43/330394843.db2.gz YGWRMGMJXCFIJR-NVXWUHKLSA-N 1 3 264.457 3.395 20 30 CGEDHO C=CCCC[C@@H](C)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000537049247 330394844 /nfs/dbraw/zinc/39/48/44/330394844.db2.gz YGWRMGMJXCFIJR-NVXWUHKLSA-N 1 3 264.457 3.395 20 30 CGEDHO C=CCCC[C@@H](C)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000537049247 330394845 /nfs/dbraw/zinc/39/48/45/330394845.db2.gz YGWRMGMJXCFIJR-NVXWUHKLSA-N 1 3 264.457 3.395 20 30 CGEDHO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000333279878 534577781 /nfs/dbraw/zinc/57/77/81/534577781.db2.gz MGEOYRJOXUYVDB-BKVYNOPKSA-N 1 3 297.446 3.250 20 30 CGEDHO C=CCC[C@H](CC)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382171 621724054 /nfs/dbraw/zinc/72/40/54/621724054.db2.gz DAFKEXGKCIVVIC-DLBZAZTESA-N 1 3 275.440 3.409 20 30 CGEDHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903713595 621798293 /nfs/dbraw/zinc/79/82/93/621798293.db2.gz XBMWEVNTCXSJKZ-LSDHHAIUSA-N 1 3 263.429 3.052 20 30 CGEDHO C[C@H](N)[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903713595 621798295 /nfs/dbraw/zinc/79/82/95/621798295.db2.gz XBMWEVNTCXSJKZ-LSDHHAIUSA-N 1 3 263.429 3.052 20 30 CGEDHO CN(CCC(C)(C)C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213419 639110746 /nfs/dbraw/zinc/11/07/46/639110746.db2.gz WWVZLABUGZNHIP-UHFFFAOYSA-N 1 3 273.424 3.120 20 30 CGEDHO CCCCCCCC[C@@H](N)C(=O)Nc1ccccc1C[NH3+] ZINC001122432961 802870365 /nfs/dbraw/zinc/87/03/65/802870365.db2.gz FMDSTWLESRRIDU-OAHLLOKOSA-N 1 3 291.439 3.162 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@H]1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001245980953 804094259 /nfs/dbraw/zinc/09/42/59/804094259.db2.gz DSPBUCMMBJMACN-XSLAGTTESA-N 1 3 296.499 3.218 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[N@@H+]1CCNC[C@H](C)C1 ZINC001246034253 804101698 /nfs/dbraw/zinc/10/16/98/804101698.db2.gz XAVFTLBUCUUKSD-ROUUACIJSA-N 1 3 298.515 3.419 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[N@H+]1CCNC[C@H](C)C1 ZINC001246034253 804101707 /nfs/dbraw/zinc/10/17/07/804101707.db2.gz XAVFTLBUCUUKSD-ROUUACIJSA-N 1 3 298.515 3.419 20 30 CGEDHO CCCCCCCC[C@H](O)C[N@H+](C)C1(C)CCNCC1 ZINC001246060806 804104575 /nfs/dbraw/zinc/10/45/75/804104575.db2.gz DTXRYWRYGYJWRI-INIZCTEOSA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@H](O)C[N@@H+](C)C1(C)CCNCC1 ZINC001246060806 804104578 /nfs/dbraw/zinc/10/45/78/804104578.db2.gz DTXRYWRYGYJWRI-INIZCTEOSA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@H](CC)[NH2+][C@]12C[C@H]1CNC2 ZINC001246135993 804160071 /nfs/dbraw/zinc/16/00/71/804160071.db2.gz UGHJOIKELUPJCU-JYJNAYRXSA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCC[C@H](CCC)[NH2+][C@@H]1CC12CNC2 ZINC001246443935 804333163 /nfs/dbraw/zinc/33/31/63/804333163.db2.gz IOXDPLOXAXYLNK-LSDHHAIUSA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCC[C@@H](CC)N[C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246492854 804358442 /nfs/dbraw/zinc/35/84/42/804358442.db2.gz DDJNCMFSZMNHEU-WCVJEAGWSA-N 1 3 252.446 3.466 20 30 CGEDHO CCCCCCCCC[C@H](C)N1CC(N2CC[NH2+]CC2)C1 ZINC001246891522 804583518 /nfs/dbraw/zinc/58/35/18/804583518.db2.gz BXZXNTKEYLFHAE-KRWDZBQOSA-N 1 3 295.515 3.105 20 30 CGEDHO CCCCCCC[C@H](CC)N1CC[C@@](F)(C[NH3+])C1 ZINC001246947112 804613985 /nfs/dbraw/zinc/61/39/85/804613985.db2.gz VKNJLYLXKGUYFW-LSDHHAIUSA-N 1 3 258.425 3.498 20 30 CGEDHO C#Cc1ccc(C[N@@H+](C)C2CCN(CCCC)CC2)cc1 ZINC001144581509 805010769 /nfs/dbraw/zinc/01/07/69/805010769.db2.gz TYYDYBXITJLWBM-UHFFFAOYSA-N 1 3 284.447 3.364 20 30 CGEDHO C#Cc1ccc(C[N@H+](C)C2CCN(CCCC)CC2)cc1 ZINC001144581509 805010777 /nfs/dbraw/zinc/01/07/77/805010777.db2.gz TYYDYBXITJLWBM-UHFFFAOYSA-N 1 3 284.447 3.364 20 30 CGEDHO C=CCC[C@H](C)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC001258717477 807567391 /nfs/dbraw/zinc/56/73/91/807567391.db2.gz OQAXSTCPLJJNND-XHSDSOJGSA-N 1 3 252.446 3.299 20 30 CGEDHO CCCCCCCCN(CC[NH3+])C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224879 808203307 /nfs/dbraw/zinc/20/33/07/808203307.db2.gz XILRTTKXMOENPC-ALOPSCKCSA-N 1 3 282.472 3.318 20 30 CGEDHO C[C@@H](CCCC#N)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC001172479153 808343317 /nfs/dbraw/zinc/34/33/17/808343317.db2.gz HAXOLXYZKSDCMI-OAGGEKHMSA-N 1 3 265.445 3.026 20 30 CGEDHO C[C@@H](CCCC#N)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC001172479159 808343841 /nfs/dbraw/zinc/34/38/41/808343841.db2.gz HAXOLXYZKSDCMI-XHSDSOJGSA-N 1 3 265.445 3.026 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)CC1 ZINC001208178307 813729498 /nfs/dbraw/zinc/72/94/98/813729498.db2.gz PXPZCBCDEADLRH-KURKYZTESA-N 1 3 274.452 3.315 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2C[C@H]3CCC[N@H+](C)[C@H]3C2)CC1 ZINC001208178307 813729501 /nfs/dbraw/zinc/72/95/01/813729501.db2.gz PXPZCBCDEADLRH-KURKYZTESA-N 1 3 274.452 3.315 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC001222140948 816358532 /nfs/dbraw/zinc/35/85/32/816358532.db2.gz AIUVDQMEWKTJOZ-MSOLQXFVSA-N 1 3 274.452 3.365 20 30 CGEDHO CC[C@@H](NC[C@H]1CCC[N@H+](CC)C1)c1cccc(C#N)c1 ZINC001350636925 936997022 /nfs/dbraw/zinc/99/70/22/936997022.db2.gz UYGTWQGONUMDAQ-SJLPKXTDSA-N 1 3 285.435 3.331 20 30 CGEDHO CC[C@@H](NC[C@H]1CCC[N@@H+](CC)C1)c1cccc(C#N)c1 ZINC001350636925 936997025 /nfs/dbraw/zinc/99/70/25/936997025.db2.gz UYGTWQGONUMDAQ-SJLPKXTDSA-N 1 3 285.435 3.331 20 30 CGEDHO C[C@@H](CCC#N)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001560153369 938245095 /nfs/dbraw/zinc/24/50/95/938245095.db2.gz CCIUJJFZDHKOLR-UHOSZYNNSA-N 1 3 297.446 3.133 20 30 CGEDHO C[C@@H](CCC#N)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001560153369 938245096 /nfs/dbraw/zinc/24/50/96/938245096.db2.gz CCIUJJFZDHKOLR-UHOSZYNNSA-N 1 3 297.446 3.133 20 30 CGEDHO N#CC1(CCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CCCCC1 ZINC001580039033 962687003 /nfs/dbraw/zinc/68/70/03/962687003.db2.gz YITQRQLWILBMPC-DLBZAZTESA-N 1 3 289.467 3.315 20 30 CGEDHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000593322040 347062922 /nfs/dbraw/zinc/06/29/22/347062922.db2.gz KWYVKOVHIVLXNF-LJQANCHMSA-N 1 3 291.398 3.055 20 30 CGEDHO C=C(CC)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000390808339 346574487 /nfs/dbraw/zinc/57/44/87/346574487.db2.gz OGNGSEFGTBHYJC-GUDVDZBRSA-N 1 3 284.447 3.453 20 30 CGEDHO C=C(CC)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000390808339 346574488 /nfs/dbraw/zinc/57/44/88/346574488.db2.gz OGNGSEFGTBHYJC-GUDVDZBRSA-N 1 3 284.447 3.453 20 30 CGEDHO C=C(CC)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000390808339 346574490 /nfs/dbraw/zinc/57/44/90/346574490.db2.gz OGNGSEFGTBHYJC-GUDVDZBRSA-N 1 3 284.447 3.453 20 30 CGEDHO CCCN1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594917924 347228784 /nfs/dbraw/zinc/22/87/84/347228784.db2.gz LWGOAPGHZNPVMQ-UHFFFAOYSA-N 1 3 297.446 3.206 20 30 CGEDHO C[C@H](NCC[C@H]([NH3+])Cc1ccccc1)c1cccc(C#N)c1 ZINC000602020889 347934096 /nfs/dbraw/zinc/93/40/96/347934096.db2.gz ORQJTGSNAZGUCL-KXBFYZLASA-N 1 3 293.414 3.169 20 30 CGEDHO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000602595899 347991009 /nfs/dbraw/zinc/99/10/09/347991009.db2.gz GDYZVLIBVJVPSC-ORBLRFAASA-N 1 3 289.467 3.311 20 30 CGEDHO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121044 349978946 /nfs/dbraw/zinc/97/89/46/349978946.db2.gz MNMZJHAEICUMGU-HZPDHXFCSA-N 1 3 252.446 3.443 20 30 CGEDHO C=CCCC(C)(C)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000635024413 351633876 /nfs/dbraw/zinc/63/38/76/351633876.db2.gz XVOHNWTYXJAVBL-ZDUSSCGKSA-N 1 3 275.440 3.492 20 30 CGEDHO CN(CCCC(C)(C)C#N)CC[C@@H]1CCCC[N@@H+]1C ZINC000174877300 261201237 /nfs/dbraw/zinc/20/12/37/261201237.db2.gz GJWWRPQRCHAJES-HNNXBMFYSA-N 1 3 265.445 3.123 20 30 CGEDHO CN(CCCC(C)(C)C#N)CC[C@@H]1CCCC[N@H+]1C ZINC000174877300 261201238 /nfs/dbraw/zinc/20/12/38/261201238.db2.gz GJWWRPQRCHAJES-HNNXBMFYSA-N 1 3 265.445 3.123 20 30 CGEDHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000344388625 217177636 /nfs/dbraw/zinc/17/76/36/217177636.db2.gz BHJFONNMZZWPPY-CZUORRHYSA-N 1 3 289.398 3.002 20 30 CGEDHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000344388625 217177637 /nfs/dbraw/zinc/17/76/37/217177637.db2.gz BHJFONNMZZWPPY-CZUORRHYSA-N 1 3 289.398 3.002 20 30 CGEDHO C=CCOc1ccc(CN(CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435386106 372756711 /nfs/dbraw/zinc/75/67/11/372756711.db2.gz SUFDVBNSGVODKU-KRWDZBQOSA-N 1 3 288.435 3.215 20 30 CGEDHO N#C[C@@H]1CC[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000442641175 373060705 /nfs/dbraw/zinc/06/07/05/373060705.db2.gz CTXXGAVEPXPNBN-MSOLQXFVSA-N 1 3 283.419 3.064 20 30 CGEDHO N#C[C@@H]1CC[C@H](NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000442636030 373061254 /nfs/dbraw/zinc/06/12/54/373061254.db2.gz RNFANJYHRDWXNC-SJORKVTESA-N 1 3 289.467 3.457 20 30 CGEDHO CC(C)CN1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449215444 373673366 /nfs/dbraw/zinc/67/33/66/373673366.db2.gz YFEZYOHQCUFXRZ-AOCRQIFASA-N 1 3 291.483 3.416 20 30 CGEDHO CC[N@H+](C)Cc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000105449240 392288851 /nfs/dbraw/zinc/28/88/51/392288851.db2.gz HQUDJUWMJUYPMW-UHFFFAOYSA-N 1 3 293.414 3.300 20 30 CGEDHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000105449240 392288857 /nfs/dbraw/zinc/28/88/57/392288857.db2.gz HQUDJUWMJUYPMW-UHFFFAOYSA-N 1 3 293.414 3.300 20 30 CGEDHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000360948990 393621413 /nfs/dbraw/zinc/62/14/13/393621413.db2.gz YAMNXHGVSCLOME-CVEARBPZSA-N 1 3 265.445 3.170 20 30 CGEDHO C=CCC[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254746 419094355 /nfs/dbraw/zinc/09/43/55/419094355.db2.gz YRFKIAOWEDRUHW-KBRIMQKVSA-N 1 3 276.399 3.216 20 30 CGEDHO N#C[C@H]1CCC[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000192619671 262206751 /nfs/dbraw/zinc/20/67/51/262206751.db2.gz TYFONKASVWXWKK-RBUKOAKNSA-N 1 3 297.446 3.454 20 30 CGEDHO C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000253355323 264332340 /nfs/dbraw/zinc/33/23/40/264332340.db2.gz UYJGUTDFBUGBOZ-JKSUJKDBSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000253355323 264332342 /nfs/dbraw/zinc/33/23/42/264332342.db2.gz UYJGUTDFBUGBOZ-JKSUJKDBSA-N 1 3 250.430 3.149 20 30 CGEDHO C[N@@H+]1CCC[C@H]2CN(CCC3(C#N)CCCCC3)CC[C@H]21 ZINC000334557470 277083557 /nfs/dbraw/zinc/08/35/57/277083557.db2.gz HILARIDLGOBJJP-DLBZAZTESA-N 1 3 289.467 3.267 20 30 CGEDHO C[N@H+]1CCC[C@H]2CN(CCC3(C#N)CCCCC3)CC[C@H]21 ZINC000334557470 277083558 /nfs/dbraw/zinc/08/35/58/277083558.db2.gz HILARIDLGOBJJP-DLBZAZTESA-N 1 3 289.467 3.267 20 30 CGEDHO CN1CCC[C@H]2C[N@H+](CCC3(C#N)CCCCC3)CC[C@H]21 ZINC000334557470 277083560 /nfs/dbraw/zinc/08/35/60/277083560.db2.gz HILARIDLGOBJJP-DLBZAZTESA-N 1 3 289.467 3.267 20 30 CGEDHO CN1CCC[C@H]2C[N@@H+](CCC3(C#N)CCCCC3)CC[C@H]21 ZINC000334557470 277083561 /nfs/dbraw/zinc/08/35/61/277083561.db2.gz HILARIDLGOBJJP-DLBZAZTESA-N 1 3 289.467 3.267 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158698198 290220904 /nfs/dbraw/zinc/22/09/04/290220904.db2.gz HZDJQWPMSQSDIB-ZTFGCOKTSA-N 1 3 283.419 3.035 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158698198 290220909 /nfs/dbraw/zinc/22/09/09/290220909.db2.gz HZDJQWPMSQSDIB-ZTFGCOKTSA-N 1 3 283.419 3.035 20 30 CGEDHO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000261631142 327401217 /nfs/dbraw/zinc/40/12/17/327401217.db2.gz VXJLUFWXXQMXDC-ARFHVFGLSA-N 1 3 264.457 3.489 20 30 CGEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000185876260 329334030 /nfs/dbraw/zinc/33/40/30/329334030.db2.gz HSRSIGTZZUTICJ-AEFFLSMTSA-N 1 3 289.467 3.313 20 30 CGEDHO N#C[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000185876260 329334032 /nfs/dbraw/zinc/33/40/32/329334032.db2.gz HSRSIGTZZUTICJ-AEFFLSMTSA-N 1 3 289.467 3.313 20 30 CGEDHO C=CC[C@@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423193190 330176026 /nfs/dbraw/zinc/17/60/26/330176026.db2.gz VGLWFBOFDRSEJX-XNHLSEOASA-N 1 3 270.420 3.046 20 30 CGEDHO C[C@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)C1 ZINC000424337102 330343655 /nfs/dbraw/zinc/34/36/55/330343655.db2.gz YWBGMGRVNUDPBI-ONIAQPFYSA-N 1 3 289.467 3.311 20 30 CGEDHO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000385140176 336140819 /nfs/dbraw/zinc/14/08/19/336140819.db2.gz IHSHHSJCFYWRJY-SOUVJXGZSA-N 1 3 250.430 3.099 20 30 CGEDHO C=CCCC[N@H+]1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1 ZINC000344587149 527197188 /nfs/dbraw/zinc/19/71/88/527197188.db2.gz RZYQJXQCQARQIN-JYJNAYRXSA-N 1 3 250.430 3.290 20 30 CGEDHO C=CCCC[N@@H+]1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1 ZINC000344587149 527197191 /nfs/dbraw/zinc/19/71/91/527197191.db2.gz RZYQJXQCQARQIN-JYJNAYRXSA-N 1 3 250.430 3.290 20 30 CGEDHO CCC1(N2CCC2)CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000895827468 619889207 /nfs/dbraw/zinc/88/92/07/619889207.db2.gz KTWLZFPTHSOFHM-UHFFFAOYSA-N 1 3 277.456 3.267 20 30 CGEDHO CCCCCCCC[C@@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000911649979 622541969 /nfs/dbraw/zinc/54/19/69/622541969.db2.gz YYEKAUNVWLTVLN-MRXNPFEDSA-N 1 3 291.439 3.162 20 30 CGEDHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1csc(C#N)c1 ZINC000921537734 625653704 /nfs/dbraw/zinc/65/37/04/625653704.db2.gz YULSWSOLYOWPHU-CQSZACIVSA-N 1 3 291.464 3.364 20 30 CGEDHO C[C@@H]1CCCC[N@H+]1CCCCNCc1csc(C#N)c1 ZINC000921537734 625653707 /nfs/dbraw/zinc/65/37/07/625653707.db2.gz YULSWSOLYOWPHU-CQSZACIVSA-N 1 3 291.464 3.364 20 30 CGEDHO C[C@H]1CCCC[N@@H+]1CCCCNCc1csc(C#N)c1 ZINC000921537732 625654063 /nfs/dbraw/zinc/65/40/63/625654063.db2.gz YULSWSOLYOWPHU-AWEZNQCLSA-N 1 3 291.464 3.364 20 30 CGEDHO C[C@H]1CCCC[N@H+]1CCCCNCc1csc(C#N)c1 ZINC000921537732 625654068 /nfs/dbraw/zinc/65/40/68/625654068.db2.gz YULSWSOLYOWPHU-AWEZNQCLSA-N 1 3 291.464 3.364 20 30 CGEDHO N#CCCC[C@H](N[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925678508 638567142 /nfs/dbraw/zinc/56/71/42/638567142.db2.gz VKCGFQXCXXVZRY-BBWFWOEESA-N 1 3 283.419 3.281 20 30 CGEDHO C[N@H+]([C@@H]1CC[C@@H](C#N)C1)C1CCN(C2CCCCC2)CC1 ZINC001254677235 806485170 /nfs/dbraw/zinc/48/51/70/806485170.db2.gz RKSBJUAQXQZUFS-CRAIPNDOSA-N 1 3 289.467 3.408 20 30 CGEDHO C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C1CCN(C2CCCCC2)CC1 ZINC001254677235 806485175 /nfs/dbraw/zinc/48/51/75/806485175.db2.gz RKSBJUAQXQZUFS-CRAIPNDOSA-N 1 3 289.467 3.408 20 30 CGEDHO CC(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001256615898 806926422 /nfs/dbraw/zinc/92/64/22/806926422.db2.gz CHBAGTGHBLDYBX-XVLXNVKGSA-N 1 3 297.446 3.470 20 30 CGEDHO CC(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001256615898 806926424 /nfs/dbraw/zinc/92/64/24/806926424.db2.gz CHBAGTGHBLDYBX-XVLXNVKGSA-N 1 3 297.446 3.470 20 30 CGEDHO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CCNCC1(C)C ZINC001246003133 804098745 /nfs/dbraw/zinc/09/87/45/804098745.db2.gz HEDRQBNZOTXIFE-CVEARBPZSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCC[C@@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC001246003133 804098759 /nfs/dbraw/zinc/09/87/59/804098759.db2.gz HEDRQBNZOTXIFE-CVEARBPZSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCC[C@@H](O)CN1CCC[C@](C)(C[NH3+])C1 ZINC001246057731 804104123 /nfs/dbraw/zinc/10/41/23/804104123.db2.gz GMBWPWWEEJDJED-IAGOWNOFSA-N 1 3 284.488 3.159 20 30 CGEDHO CCCCCCCCC[C@@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246145789 804166767 /nfs/dbraw/zinc/16/67/67/804166767.db2.gz DXCBISRQTBPHNZ-WCVJEAGWSA-N 1 3 252.446 3.323 20 30 CGEDHO N#Cc1ccc(C2CCC(N3CC[C@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246635588 804465611 /nfs/dbraw/zinc/46/56/11/804465611.db2.gz DGVCTPKMCUUDTN-CSODTCANSA-N 1 3 295.430 3.021 20 30 CGEDHO CCCCCCCCC[C@@H](C)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246642133 804469196 /nfs/dbraw/zinc/46/91/96/804469196.db2.gz LKWOZXHKPWZJEM-QZTJIDSGSA-N 1 3 295.515 3.153 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@]4(C3)CNCC[C@H]4F)C[C@H](C1)C2 ZINC001246697168 804499037 /nfs/dbraw/zinc/49/90/37/804499037.db2.gz WEPQFDNNGFWIHR-ZFHLEULCSA-N 1 3 292.442 3.145 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@]4(C3)CNCC[C@H]4F)C[C@H](C1)C2 ZINC001246697168 804499042 /nfs/dbraw/zinc/49/90/42/804499042.db2.gz WEPQFDNNGFWIHR-ZFHLEULCSA-N 1 3 292.442 3.145 20 30 CGEDHO CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H](N)[C@@H](F)C1 ZINC001246838169 804545911 /nfs/dbraw/zinc/54/59/11/804545911.db2.gz UEFMJCQJMJUUGO-SOUVJXGZSA-N 1 3 258.425 3.497 20 30 CGEDHO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](N)[C@@H](F)C1 ZINC001246838169 804545912 /nfs/dbraw/zinc/54/59/12/804545912.db2.gz UEFMJCQJMJUUGO-SOUVJXGZSA-N 1 3 258.425 3.497 20 30 CGEDHO CN(Cc1ccc(C#N)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121996 808182502 /nfs/dbraw/zinc/18/25/02/808182502.db2.gz OQORWFMJIJLKJA-BCDXTJNWSA-N 1 3 283.419 3.005 20 30 CGEDHO CN(Cc1ccc(C#N)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121996 808182507 /nfs/dbraw/zinc/18/25/07/808182507.db2.gz OQORWFMJIJLKJA-BCDXTJNWSA-N 1 3 283.419 3.005 20 30 CGEDHO Cc1ccc(CN2CCC3(CCC[N@@H+](C)C3)CC2)cc1C#N ZINC001275374077 808933064 /nfs/dbraw/zinc/93/30/64/808933064.db2.gz UBLLHLREYRNKPX-UHFFFAOYSA-N 1 3 297.446 3.175 20 30 CGEDHO Cc1ccc(CN2CCC3(CCC[N@H+](C)C3)CC2)cc1C#N ZINC001275374077 808933071 /nfs/dbraw/zinc/93/30/71/808933071.db2.gz UBLLHLREYRNKPX-UHFFFAOYSA-N 1 3 297.446 3.175 20 30 CGEDHO CCCCCCCCN1CCN(CC[NH+]2CCCC2)CC1 ZINC001201840294 811969325 /nfs/dbraw/zinc/96/93/25/811969325.db2.gz SOHFYPYXQMYKRG-UHFFFAOYSA-N 1 3 295.515 3.060 20 30 CGEDHO CCCCCCCCCCCC[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206456383 813325687 /nfs/dbraw/zinc/32/56/87/813325687.db2.gz NEZOIRXJKDABQL-DLBZAZTESA-N 1 3 284.488 3.159 20 30 CGEDHO CCCCCCCCCCCC[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206456383 813325696 /nfs/dbraw/zinc/32/56/96/813325696.db2.gz NEZOIRXJKDABQL-DLBZAZTESA-N 1 3 284.488 3.159 20 30 CGEDHO C=CCOc1cccc(CN2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206564441 813355360 /nfs/dbraw/zinc/35/53/60/813355360.db2.gz NQRLQMQGLFQZAV-SFHVURJKSA-N 1 3 288.435 3.202 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC001222140949 816358020 /nfs/dbraw/zinc/35/80/20/816358020.db2.gz AIUVDQMEWKTJOZ-QZTJIDSGSA-N 1 3 274.452 3.365 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)CC1 ZINC001235411030 819090114 /nfs/dbraw/zinc/09/01/14/819090114.db2.gz ZSFUCMXGXZDUCW-SQNIBIBYSA-N 1 3 292.442 3.313 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)CC1 ZINC001235411030 819090119 /nfs/dbraw/zinc/09/01/19/819090119.db2.gz ZSFUCMXGXZDUCW-SQNIBIBYSA-N 1 3 292.442 3.313 20 30 CGEDHO CC[C@H](NC[C@H]1CCC[N@H+](CC)C1)c1cccc(C#N)c1 ZINC001350636916 936996854 /nfs/dbraw/zinc/99/68/54/936996854.db2.gz UYGTWQGONUMDAQ-AEFFLSMTSA-N 1 3 285.435 3.331 20 30 CGEDHO CC[C@H](NC[C@H]1CCC[N@@H+](CC)C1)c1cccc(C#N)c1 ZINC001350636916 936996856 /nfs/dbraw/zinc/99/68/56/936996856.db2.gz UYGTWQGONUMDAQ-AEFFLSMTSA-N 1 3 285.435 3.331 20 30 CGEDHO C#CCCCCCCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001560155540 938245530 /nfs/dbraw/zinc/24/55/30/938245530.db2.gz OCSJSYSAHYBWDN-KRWDZBQOSA-N 1 3 285.435 3.176 20 30 CGEDHO C#CCCCCCC[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001560155540 938245531 /nfs/dbraw/zinc/24/55/31/938245531.db2.gz OCSJSYSAHYBWDN-KRWDZBQOSA-N 1 3 285.435 3.176 20 30 CGEDHO C#CCCCCCC[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001560155540 938245532 /nfs/dbraw/zinc/24/55/32/938245532.db2.gz OCSJSYSAHYBWDN-KRWDZBQOSA-N 1 3 285.435 3.176 20 30 CGEDHO CC[C@H]([NH2+]CC(N)(CC)CC)c1ccc(C#N)cc1 ZINC000423286927 529590467 /nfs/dbraw/zinc/59/04/67/529590467.db2.gz JMHNGSRSLYIUMF-HNNXBMFYSA-N 1 3 259.397 3.116 20 30 CGEDHO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)CC1(CC#N)CC1 ZINC000383095621 346561822 /nfs/dbraw/zinc/56/18/22/346561822.db2.gz ZEYQBYZKCJKBOZ-SFHVURJKSA-N 1 3 297.446 3.134 20 30 CGEDHO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)CC1(CC#N)CC1 ZINC000383095621 346561825 /nfs/dbraw/zinc/56/18/25/346561825.db2.gz ZEYQBYZKCJKBOZ-SFHVURJKSA-N 1 3 297.446 3.134 20 30 CGEDHO N#CCCC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000594584531 347195789 /nfs/dbraw/zinc/19/57/89/347195789.db2.gz TVZFUTAQRREBRQ-BBWFWOEESA-N 1 3 271.408 3.281 20 30 CGEDHO CC1(C#N)CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000596059502 347377993 /nfs/dbraw/zinc/37/79/93/347377993.db2.gz PETIVRDDJASZEF-AOCRQIFASA-N 1 3 289.467 3.170 20 30 CGEDHO CC1(C#N)CCC([NH2+]CC[C@@H](N)Cc2ccccc2)CC1 ZINC000602023522 347933987 /nfs/dbraw/zinc/93/39/87/347933987.db2.gz XGYUXIPJKNHSSE-WWDZGPRUSA-N 1 3 285.435 3.009 20 30 CGEDHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(C#N)s1 ZINC000176948331 189016319 /nfs/dbraw/zinc/01/63/19/189016319.db2.gz WWETZAWGGSTEQO-CQSZACIVSA-N 1 3 291.464 3.364 20 30 CGEDHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(C#N)s1 ZINC000176948331 189016320 /nfs/dbraw/zinc/01/63/20/189016320.db2.gz WWETZAWGGSTEQO-CQSZACIVSA-N 1 3 291.464 3.364 20 30 CGEDHO N#Cc1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423097125 371960440 /nfs/dbraw/zinc/96/04/40/371960440.db2.gz ISAOYCHZLKONFF-IPMKNSEASA-N 1 3 297.446 3.001 20 30 CGEDHO C=CCC(C)(C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297319813 373264969 /nfs/dbraw/zinc/26/49/69/373264969.db2.gz CPTXEWDATXPTKR-UHFFFAOYSA-N 1 3 273.424 3.242 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000188194902 375174059 /nfs/dbraw/zinc/17/40/59/375174059.db2.gz QRECETYUQBWRPK-MRXNPFEDSA-N 1 3 297.446 3.427 20 30 CGEDHO C[NH+](C)[C@H]1CCCN(CCCCC(C)(C)C#N)CC1 ZINC000375713403 379507978 /nfs/dbraw/zinc/50/79/78/379507978.db2.gz YJJSPRLYBQTXEI-HNNXBMFYSA-N 1 3 265.445 3.123 20 30 CGEDHO CN(C)[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)CC1 ZINC000375713403 379507989 /nfs/dbraw/zinc/50/79/89/379507989.db2.gz YJJSPRLYBQTXEI-HNNXBMFYSA-N 1 3 265.445 3.123 20 30 CGEDHO CN(C)[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000375713403 379507998 /nfs/dbraw/zinc/50/79/98/379507998.db2.gz YJJSPRLYBQTXEI-HNNXBMFYSA-N 1 3 265.445 3.123 20 30 CGEDHO C=CCCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000280151979 379622145 /nfs/dbraw/zinc/62/21/45/379622145.db2.gz RRUPNKBSMSBKHE-OAHLLOKOSA-N 1 3 276.424 3.244 20 30 CGEDHO C=CCC[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccco1 ZINC000643537112 380353786 /nfs/dbraw/zinc/35/37/86/380353786.db2.gz ZLFGVNQTUGAYCQ-HIFRSBDPSA-N 1 3 260.381 3.019 20 30 CGEDHO C=C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354193567 380360288 /nfs/dbraw/zinc/36/02/88/380360288.db2.gz ZWWOMEZGABWLAD-CCNLRDMRSA-N 1 3 270.420 3.346 20 30 CGEDHO C=C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354193567 380360291 /nfs/dbraw/zinc/36/02/91/380360291.db2.gz ZWWOMEZGABWLAD-CCNLRDMRSA-N 1 3 270.420 3.346 20 30 CGEDHO CCCCN(C(=O)C(C)C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000360119833 381452772 /nfs/dbraw/zinc/45/27/72/381452772.db2.gz RGOOHIINGUQCKP-CYBMUJFWSA-N 1 3 293.455 3.084 20 30 CGEDHO C[C@@H](NCCC1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000358559858 533376101 /nfs/dbraw/zinc/37/61/01/533376101.db2.gz DPLUFDPVRWYNCF-CYBMUJFWSA-N 1 3 289.398 3.080 20 30 CGEDHO C=CCOc1ccc(C[NH2+]C2CCN(CCC)CC2)cc1 ZINC000020190077 171056518 /nfs/dbraw/zinc/05/65/18/171056518.db2.gz XRMRNPUXGNUYFZ-UHFFFAOYSA-N 1 3 288.435 3.215 20 30 CGEDHO C=CCCC1(C[NH2+][C@H]2CCC[C@@H]2CN)CCCC1 ZINC000665236472 419087456 /nfs/dbraw/zinc/08/74/56/419087456.db2.gz NMEDQMCALICHSO-CABCVRRESA-N 1 3 250.430 3.230 20 30 CGEDHO C=CCC[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165312 419629872 /nfs/dbraw/zinc/62/98/72/419629872.db2.gz IKOYGWQAFHZOPJ-MRXNPFEDSA-N 1 3 287.451 3.238 20 30 CGEDHO C=C(C)CN1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663568575 419648892 /nfs/dbraw/zinc/64/88/92/419648892.db2.gz XZSNKTSDAYBHCZ-UHFFFAOYSA-N 1 3 270.380 3.015 20 30 CGEDHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCCC#N ZINC000184740619 262027890 /nfs/dbraw/zinc/02/78/90/262027890.db2.gz LEJNYRIBSCNSAM-HOTGVXAUSA-N 1 3 285.435 3.036 20 30 CGEDHO CN1CC[C@]2(CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000292088159 263128288 /nfs/dbraw/zinc/12/82/88/263128288.db2.gz GJGCFMFYCVFBMH-IBGZPJMESA-N 1 3 297.446 3.015 20 30 CGEDHO CN1CC[C@]2(CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000292088159 263128289 /nfs/dbraw/zinc/12/82/89/263128289.db2.gz GJGCFMFYCVFBMH-IBGZPJMESA-N 1 3 297.446 3.015 20 30 CGEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414990700 263187268 /nfs/dbraw/zinc/18/72/68/263187268.db2.gz AMAKBUCPZSELGT-UWWQBHOKSA-N 1 3 290.426 3.463 20 30 CGEDHO CC[N@H+](CCC1CCN(CCCC#N)CC1)CC1CC1 ZINC000357091007 266246258 /nfs/dbraw/zinc/24/62/58/266246258.db2.gz VZWXMXOGUXVCCC-UHFFFAOYSA-N 1 3 277.456 3.124 20 30 CGEDHO CC[N@@H+](CCC1CCN(CCCC#N)CC1)CC1CC1 ZINC000357091007 266246263 /nfs/dbraw/zinc/24/62/63/266246263.db2.gz VZWXMXOGUXVCCC-UHFFFAOYSA-N 1 3 277.456 3.124 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000563425719 328065879 /nfs/dbraw/zinc/06/58/79/328065879.db2.gz QLNCPTDWKYMZGF-ZACQAIPSSA-N 1 3 258.409 3.033 20 30 CGEDHO C=CCC[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccco1 ZINC000423430111 330198626 /nfs/dbraw/zinc/19/86/26/330198626.db2.gz HUUGMXCPXRIOKC-HRCADAONSA-N 1 3 274.408 3.265 20 30 CGEDHO C=C(C)CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000381319113 336059183 /nfs/dbraw/zinc/05/91/83/336059183.db2.gz VOJAOCVRLYDRQI-CEXWTWQISA-N 1 3 284.447 3.453 20 30 CGEDHO CCCCCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000740878618 571890872 /nfs/dbraw/zinc/89/08/72/571890872.db2.gz PAZJNIWLVBWPDX-MRXNPFEDSA-N 1 3 252.446 3.375 20 30 CGEDHO CCCCCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000740878618 571890874 /nfs/dbraw/zinc/89/08/74/571890874.db2.gz PAZJNIWLVBWPDX-MRXNPFEDSA-N 1 3 252.446 3.375 20 30 CGEDHO CCCCCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000740878618 571890875 /nfs/dbraw/zinc/89/08/75/571890875.db2.gz PAZJNIWLVBWPDX-MRXNPFEDSA-N 1 3 252.446 3.375 20 30 CGEDHO C=CCN(CC(C)C[N@H+](CC=C)C(C)C)C(C)C ZINC000736308043 572780524 /nfs/dbraw/zinc/78/05/24/572780524.db2.gz FBZBGGXZMCJJPX-UHFFFAOYSA-N 1 3 252.446 3.415 20 30 CGEDHO C=CCN(CC(C)C[N@@H+](CC=C)C(C)C)C(C)C ZINC000736308043 572780527 /nfs/dbraw/zinc/78/05/27/572780527.db2.gz FBZBGGXZMCJJPX-UHFFFAOYSA-N 1 3 252.446 3.415 20 30 CGEDHO C[C@@H]1C[C@H](C)[N@H+](CCCCC2(C#N)CCC2)C[C@H]1CN ZINC000903761592 621802383 /nfs/dbraw/zinc/80/23/83/621802383.db2.gz WUNIMUOKNXOUDJ-OWCLPIDISA-N 1 3 277.456 3.156 20 30 CGEDHO C[C@@H]1C[C@H](C)[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1CN ZINC000903761592 621802384 /nfs/dbraw/zinc/80/23/84/621802384.db2.gz WUNIMUOKNXOUDJ-OWCLPIDISA-N 1 3 277.456 3.156 20 30 CGEDHO C=CCCCCC[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000817965633 625627442 /nfs/dbraw/zinc/62/74/42/625627442.db2.gz AZBMAHFGXZHHGD-JKSUJKDBSA-N 1 3 252.446 3.491 20 30 CGEDHO C#CC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000775421779 628094162 /nfs/dbraw/zinc/09/41/62/628094162.db2.gz JIQLQLOGHKLOIK-IBGZPJMESA-N 1 3 282.431 3.215 20 30 CGEDHO C[C@H](NCc1ccc(C#N)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924698296 638390746 /nfs/dbraw/zinc/39/07/46/638390746.db2.gz DSNOZKBZIPWEHV-HNNXBMFYSA-N 1 3 293.414 3.471 20 30 CGEDHO CCCCCCCC[C@H](O)C[NH2+]CCCN1CCCC1 ZINC001252119565 806005570 /nfs/dbraw/zinc/00/55/70/806005570.db2.gz AMOLNSBCMKCKBN-KRWDZBQOSA-N 1 3 284.488 3.173 20 30 CGEDHO CCCCCCCC[C@H](O)CNCCC[NH+]1CCCC1 ZINC001252119565 806005576 /nfs/dbraw/zinc/00/55/76/806005576.db2.gz AMOLNSBCMKCKBN-KRWDZBQOSA-N 1 3 284.488 3.173 20 30 CGEDHO C=C1C[C@@H]2CC([NH2+]CCCN3CCCC3)C[C@H](C1)C2 ZINC000700406308 799871914 /nfs/dbraw/zinc/87/19/14/799871914.db2.gz BYMCRDAJQRKMFI-SJPCQFCGSA-N 1 3 262.441 3.197 20 30 CGEDHO Cc1ccc(C(=[NH2+])N[C@@H]2CCCN(C3CCCC3)C2)cc1C ZINC001256910274 807006753 /nfs/dbraw/zinc/00/67/53/807006753.db2.gz XDTOUWXYUBSMGK-QGZVFWFLSA-N 1 3 299.462 3.416 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN[C@H]1CCC[C@H]1[NH3+] ZINC001246003871 804098002 /nfs/dbraw/zinc/09/80/02/804098002.db2.gz VQFMRDWWMMLTPP-ZACQAIPSSA-N 1 3 284.488 3.348 20 30 CGEDHO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCNCC1(C)C ZINC001246003138 804098210 /nfs/dbraw/zinc/09/82/10/804098210.db2.gz HEDRQBNZOTXIFE-JKSUJKDBSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCC[C@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC001246003138 804098219 /nfs/dbraw/zinc/09/82/19/804098219.db2.gz HEDRQBNZOTXIFE-JKSUJKDBSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCCCC[C@@H](O)C[NH2+]CC(C)(C)CN ZINC001246007329 804099070 /nfs/dbraw/zinc/09/90/70/804099070.db2.gz ZLLUSERQUZHVEI-MRXNPFEDSA-N 1 3 286.504 3.453 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@H](CC)C1C[NH2+]C1 ZINC001246020212 804101033 /nfs/dbraw/zinc/10/10/33/804101033.db2.gz MZXICCXUDSRGBY-ZWKOTPCHSA-N 1 3 298.515 3.466 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@@H]1N ZINC001246068616 804109163 /nfs/dbraw/zinc/10/91/63/804109163.db2.gz WFIINFKXRBQJSM-ULQDDVLXSA-N 1 3 282.472 3.076 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@H+](C)[C@H]1CCCC[C@@H]1N ZINC001246068616 804109166 /nfs/dbraw/zinc/10/91/66/804109166.db2.gz WFIINFKXRBQJSM-ULQDDVLXSA-N 1 3 282.472 3.076 20 30 CGEDHO C=C1C[C@@H]2CC(NC[C@@H]3CC[C@H](C)C[NH2+]3)C[C@H](C1)C2 ZINC001246109527 804141455 /nfs/dbraw/zinc/14/14/55/804141455.db2.gz XWCUMKNNAJHXLE-ITPJMLCISA-N 1 3 262.441 3.099 20 30 CGEDHO C#Cc1ccc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246267932 804248035 /nfs/dbraw/zinc/24/80/35/804248035.db2.gz UDKDOLWVCQTFFO-VQTJNVASSA-N 1 3 290.410 3.251 20 30 CGEDHO CC(C)[NH2+]CCNC1CCC(c2ccc(C#N)cc2)CC1 ZINC001246451885 804335641 /nfs/dbraw/zinc/33/56/41/804335641.db2.gz ICGJZNYHZWNAOU-UHFFFAOYSA-N 1 3 285.435 3.172 20 30 CGEDHO CCCCCCCC[C@H](CC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246461930 804342261 /nfs/dbraw/zinc/34/22/61/804342261.db2.gz ANIURFIOVBLHPL-BBWFWOEESA-N 1 3 284.488 3.482 20 30 CGEDHO C=CC[NH+](CC=C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140303783 804408469 /nfs/dbraw/zinc/40/84/69/804408469.db2.gz AOYLORMXIQSMBH-UHFFFAOYSA-N 1 3 299.462 3.003 20 30 CGEDHO C=CCC[C@@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258722429 807570988 /nfs/dbraw/zinc/57/09/88/807570988.db2.gz INQLMZVVUGUSMR-MRXNPFEDSA-N 1 3 287.451 3.238 20 30 CGEDHO C=CC[N@H+]1CCC[C@H]1c1ccc(-n2ccc([C@@H](C)N)n2)cc1 ZINC001169237176 807611264 /nfs/dbraw/zinc/61/12/64/807611264.db2.gz LXHQDAKRMUIZRR-KDOFPFPSSA-N 1 3 296.418 3.215 20 30 CGEDHO C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2ccc([C@@H](C)N)n2)cc1 ZINC001169237176 807611266 /nfs/dbraw/zinc/61/12/66/807611266.db2.gz LXHQDAKRMUIZRR-KDOFPFPSSA-N 1 3 296.418 3.215 20 30 CGEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCN1CCCC[C@H]1C ZINC001172292081 808217465 /nfs/dbraw/zinc/21/74/65/808217465.db2.gz CJDCGBQLSUOFJO-IAGOWNOFSA-N 1 3 299.462 3.343 20 30 CGEDHO C#CCCCN1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275975947 808980606 /nfs/dbraw/zinc/98/06/06/808980606.db2.gz SUHQFKULBAOAGT-GOSISDBHSA-N 1 3 274.452 3.130 20 30 CGEDHO C#CCCCN1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275975947 808980611 /nfs/dbraw/zinc/98/06/11/808980611.db2.gz SUHQFKULBAOAGT-GOSISDBHSA-N 1 3 274.452 3.130 20 30 CGEDHO C=CCCCCCCCCCN1CCO[C@@H](CC[NH3+])C1 ZINC001204755315 812727498 /nfs/dbraw/zinc/72/74/98/812727498.db2.gz GKRCHMGNJZGZII-KRWDZBQOSA-N 1 3 282.472 3.343 20 30 CGEDHO C[C@@H]1CCN(Cc2cc(C#N)ccc2Cl)CC[C@H]1C[NH3+] ZINC001205627643 813033955 /nfs/dbraw/zinc/03/39/55/813033955.db2.gz RFKQQNKPGGXPIT-OCCSQVGLSA-N 1 3 291.826 3.018 20 30 CGEDHO C=CCCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235402863 819086544 /nfs/dbraw/zinc/08/65/44/819086544.db2.gz KBIWSMOLWKREHB-HZPDHXFCSA-N 1 3 268.420 3.146 20 30 CGEDHO C=CCCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235402863 819086551 /nfs/dbraw/zinc/08/65/51/819086551.db2.gz KBIWSMOLWKREHB-HZPDHXFCSA-N 1 3 268.420 3.146 20 30 CGEDHO C=CCCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235402863 819086557 /nfs/dbraw/zinc/08/65/57/819086557.db2.gz KBIWSMOLWKREHB-HZPDHXFCSA-N 1 3 268.420 3.146 20 30 CGEDHO CC[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(C#N)cc1 ZINC000423388346 529629231 /nfs/dbraw/zinc/62/92/31/529629231.db2.gz NLMVIIJTFWMTSP-IBGZPJMESA-N 1 3 291.398 3.402 20 30 CGEDHO CC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000591583000 346930287 /nfs/dbraw/zinc/93/02/87/346930287.db2.gz ZKKYGWXPFYQCDV-IAGOWNOFSA-N 1 3 283.419 3.274 20 30 CGEDHO CC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000591583001 346929892 /nfs/dbraw/zinc/92/98/92/346929892.db2.gz ZKKYGWXPFYQCDV-IRXDYDNUSA-N 1 3 283.419 3.274 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000623657413 349859742 /nfs/dbraw/zinc/85/97/42/349859742.db2.gz QBDVMVUARQMYRO-PMPSAXMXSA-N 1 3 250.430 3.053 20 30 CGEDHO CCCN1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594493265 347177562 /nfs/dbraw/zinc/17/75/62/347177562.db2.gz JLIOTRGTMUBXNW-UHFFFAOYSA-N 1 3 299.462 3.452 20 30 CGEDHO Cc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1C#N ZINC000599267333 347730261 /nfs/dbraw/zinc/73/02/61/347730261.db2.gz VOUFUSCTMMAQPG-UHFFFAOYSA-N 1 3 297.446 3.175 20 30 CGEDHO N#CC1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000602534426 347977507 /nfs/dbraw/zinc/97/75/07/347977507.db2.gz SWVREXXCBFQDMQ-UHFFFAOYSA-N 1 3 289.467 3.313 20 30 CGEDHO CCCN1CC[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391531 348444753 /nfs/dbraw/zinc/44/47/53/348444753.db2.gz MZYBNJJLHSKAQM-APWZRJJASA-N 1 3 297.446 3.257 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H](C[NH3+])C1CCCC1 ZINC000423494780 236086009 /nfs/dbraw/zinc/08/60/09/236086009.db2.gz BAHLEVQONGFPRZ-OALUTQOASA-N 1 3 297.446 3.433 20 30 CGEDHO C=CCCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435699252 372798061 /nfs/dbraw/zinc/79/80/61/372798061.db2.gz ZEILKSMNNNZRNO-HNNXBMFYSA-N 1 3 276.449 3.268 20 30 CGEDHO C[C@H](CCN[C@@H]1CC[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000442767065 373075423 /nfs/dbraw/zinc/07/54/23/373075423.db2.gz LZBGCHAMSNZNBK-BPQIPLTHSA-N 1 3 285.435 3.179 20 30 CGEDHO C[C@H](CCN[C@@H]1CC[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000442767065 373075428 /nfs/dbraw/zinc/07/54/28/373075428.db2.gz LZBGCHAMSNZNBK-BPQIPLTHSA-N 1 3 285.435 3.179 20 30 CGEDHO C[C@H](CC[NH2+][C@H]1CCc2ccc(C#N)cc21)N1CCCCC1 ZINC000353675890 220247587 /nfs/dbraw/zinc/24/75/87/220247587.db2.gz INIZZYUASBCRPS-BEFAXECRSA-N 1 3 297.446 3.400 20 30 CGEDHO C=CCCC[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000093533547 541982779 /nfs/dbraw/zinc/98/27/79/541982779.db2.gz CGABWSIQWRBTGM-UHFFFAOYSA-N 1 3 276.424 3.025 20 30 CGEDHO C=CCCC[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000093533547 541982784 /nfs/dbraw/zinc/98/27/84/541982784.db2.gz CGABWSIQWRBTGM-UHFFFAOYSA-N 1 3 276.424 3.025 20 30 CGEDHO CC[N@H+](CCCN1CCCC1)Cc1ccc(C#N)c(C)c1 ZINC000349344170 379240135 /nfs/dbraw/zinc/24/01/35/379240135.db2.gz HJYDYOIFGHVRJF-UHFFFAOYSA-N 1 3 285.435 3.175 20 30 CGEDHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(C#N)c(C)c1 ZINC000349344170 379240143 /nfs/dbraw/zinc/24/01/43/379240143.db2.gz HJYDYOIFGHVRJF-UHFFFAOYSA-N 1 3 285.435 3.175 20 30 CGEDHO C=CCN(CC[C@@H]1CCC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000420301671 380845931 /nfs/dbraw/zinc/84/59/31/380845931.db2.gz ISYVYJHSQLAUAK-INIZCTEOSA-N 1 3 288.435 3.073 20 30 CGEDHO CCN1CC[C@@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839019 381629922 /nfs/dbraw/zinc/62/99/22/381629922.db2.gz WAFWRFIPPJZXFG-LPHOPBHVSA-N 1 3 297.446 3.257 20 30 CGEDHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839019 381629935 /nfs/dbraw/zinc/62/99/35/381629935.db2.gz WAFWRFIPPJZXFG-LPHOPBHVSA-N 1 3 297.446 3.257 20 30 CGEDHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839019 381629940 /nfs/dbraw/zinc/62/99/40/381629940.db2.gz WAFWRFIPPJZXFG-LPHOPBHVSA-N 1 3 297.446 3.257 20 30 CGEDHO C[C@@H](NCCC(C)(C)C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347223074 533372983 /nfs/dbraw/zinc/37/29/83/533372983.db2.gz KCBXHELVSLEPES-CABCVRRESA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@@H](NCCC(C)(C)C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347223074 533372987 /nfs/dbraw/zinc/37/29/87/533372987.db2.gz KCBXHELVSLEPES-CABCVRRESA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@@H]([NH2+]CCC(C)(C)C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000347223074 533372991 /nfs/dbraw/zinc/37/29/91/533372991.db2.gz KCBXHELVSLEPES-CABCVRRESA-N 1 3 277.456 3.169 20 30 CGEDHO C#Cc1ccc(CNCc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000290369393 392446451 /nfs/dbraw/zinc/44/64/51/392446451.db2.gz NGVXHDKFMHYLRG-UHFFFAOYSA-N 1 3 292.426 3.409 20 30 CGEDHO C#Cc1ccc(CNCc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000290369393 392446457 /nfs/dbraw/zinc/44/64/57/392446457.db2.gz NGVXHDKFMHYLRG-UHFFFAOYSA-N 1 3 292.426 3.409 20 30 CGEDHO C[C@@H](CC[NH+](C)C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360837729 393595607 /nfs/dbraw/zinc/59/56/07/393595607.db2.gz RBDRICJRCOOSEW-KSSFIOAISA-N 1 3 285.435 3.256 20 30 CGEDHO C=C(C)C[N@@H+](CC)Cc1ccc(OCCN(C)C)cc1 ZINC000678121152 543485096 /nfs/dbraw/zinc/48/50/96/543485096.db2.gz SEYUGQGVAUZENU-UHFFFAOYSA-N 1 3 276.424 3.025 20 30 CGEDHO C=C(C)C[N@H+](CC)Cc1ccc(OCCN(C)C)cc1 ZINC000678121152 543485098 /nfs/dbraw/zinc/48/50/98/543485098.db2.gz SEYUGQGVAUZENU-UHFFFAOYSA-N 1 3 276.424 3.025 20 30 CGEDHO C[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000020146269 171032905 /nfs/dbraw/zinc/03/29/05/171032905.db2.gz KGPJIFRYMRHPCT-INIZCTEOSA-N 1 3 285.435 3.331 20 30 CGEDHO C[C@@H]([NH2+]CCCN1CCCCC1)c1cccc(C#N)c1 ZINC000037229383 173048965 /nfs/dbraw/zinc/04/89/65/173048965.db2.gz NYFYFPQUBIWQDT-OAHLLOKOSA-N 1 3 271.408 3.085 20 30 CGEDHO CCC#C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000680401215 543708494 /nfs/dbraw/zinc/70/84/94/543708494.db2.gz JNMMSHYIRPCZDF-HRCADAONSA-N 1 3 262.441 3.031 20 30 CGEDHO C=CCOCCCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000658210505 419661865 /nfs/dbraw/zinc/66/18/65/419661865.db2.gz SVNYBCZPLMHSAO-AEFFLSMTSA-N 1 3 294.483 3.212 20 30 CGEDHO C=CCOCCC[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000658210505 419661871 /nfs/dbraw/zinc/66/18/71/419661871.db2.gz SVNYBCZPLMHSAO-AEFFLSMTSA-N 1 3 294.483 3.212 20 30 CGEDHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278566018 328227436 /nfs/dbraw/zinc/22/74/36/328227436.db2.gz IVRQTLWJBBYKFS-CEXWTWQISA-N 1 3 297.446 3.133 20 30 CGEDHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278566018 328227437 /nfs/dbraw/zinc/22/74/37/328227437.db2.gz IVRQTLWJBBYKFS-CEXWTWQISA-N 1 3 297.446 3.133 20 30 CGEDHO C=CCC[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000471836044 328302275 /nfs/dbraw/zinc/30/22/75/328302275.db2.gz HPDJDFKFBAOEFD-ZWKOTPCHSA-N 1 3 272.436 3.235 20 30 CGEDHO C=CCC[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000471836044 328302277 /nfs/dbraw/zinc/30/22/77/328302277.db2.gz HPDJDFKFBAOEFD-ZWKOTPCHSA-N 1 3 272.436 3.235 20 30 CGEDHO C=CCC1(C[NH2+][C@H]2CCCC[C@H]2CN)CCCC1 ZINC000423149081 330172757 /nfs/dbraw/zinc/17/27/57/330172757.db2.gz AJHQTYKCGVRLAM-GJZGRUSLSA-N 1 3 250.430 3.230 20 30 CGEDHO C=CCC[C@@H](CCC)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423502333 330208308 /nfs/dbraw/zinc/20/83/08/330208308.db2.gz FERCLOLGJGBIBZ-FGTMMUONSA-N 1 3 272.436 3.467 20 30 CGEDHO C=CCC[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C1CC1 ZINC000120312906 330387719 /nfs/dbraw/zinc/38/77/19/330387719.db2.gz XEXWONRVCCKXIN-GOEBONIOSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CCOc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1Cl ZINC000581070943 336003760 /nfs/dbraw/zinc/00/37/60/336003760.db2.gz BNVIAZKPNZHXPA-VXGBXAGGSA-N 1 3 282.815 3.120 20 30 CGEDHO CCCCCCCC[C@H](CO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897970548 620450990 /nfs/dbraw/zinc/45/09/90/620450990.db2.gz SNDSLGMRCSDMSY-KSZLIROESA-N 1 3 296.499 3.314 20 30 CGEDHO CCCCCCCC[C@H](CO)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897970548 620450993 /nfs/dbraw/zinc/45/09/93/620450993.db2.gz SNDSLGMRCSDMSY-KSZLIROESA-N 1 3 296.499 3.314 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000903476215 621764219 /nfs/dbraw/zinc/76/42/19/621764219.db2.gz QKWXIANJEVNWNW-LJQANCHMSA-N 1 3 299.462 3.372 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000903476215 621764225 /nfs/dbraw/zinc/76/42/25/621764225.db2.gz QKWXIANJEVNWNW-LJQANCHMSA-N 1 3 299.462 3.372 20 30 CGEDHO C[C@@H]1C[C@@H](C)[N@H+](CCCCC2(C#N)CCC2)C[C@H]1CN ZINC000903761590 621802564 /nfs/dbraw/zinc/80/25/64/621802564.db2.gz WUNIMUOKNXOUDJ-BZUAXINKSA-N 1 3 277.456 3.156 20 30 CGEDHO C[C@@H]1C[C@@H](C)[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1CN ZINC000903761590 621802565 /nfs/dbraw/zinc/80/25/65/621802565.db2.gz WUNIMUOKNXOUDJ-BZUAXINKSA-N 1 3 277.456 3.156 20 30 CGEDHO CCCC[NH+]1CCC(N[C@@H](C)CC(C)(C)C#N)CC1 ZINC000924846088 622659457 /nfs/dbraw/zinc/65/94/57/622659457.db2.gz KJHJKMHGDQECQF-AWEZNQCLSA-N 1 3 265.445 3.169 20 30 CGEDHO C=CCCCCC[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000817965627 625625219 /nfs/dbraw/zinc/62/52/19/625625219.db2.gz AZBMAHFGXZHHGD-HOTGVXAUSA-N 1 3 252.446 3.491 20 30 CGEDHO C#Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000809594903 630756645 /nfs/dbraw/zinc/75/66/45/630756645.db2.gz CMGBSQRARJHJGZ-UYAOXDASSA-N 1 3 294.442 3.117 20 30 CGEDHO C#Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000809594903 630756646 /nfs/dbraw/zinc/75/66/46/630756646.db2.gz CMGBSQRARJHJGZ-UYAOXDASSA-N 1 3 294.442 3.117 20 30 CGEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000817977666 632269081 /nfs/dbraw/zinc/26/90/81/632269081.db2.gz NPXQAKQFROLCHU-AVGNSLFASA-N 1 3 282.815 3.204 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN(C)C[C@@H]1CC[NH2+]C1 ZINC001246042668 804101945 /nfs/dbraw/zinc/10/19/45/804101945.db2.gz CYEBBLVQJQOXNF-MSOLQXFVSA-N 1 3 298.515 3.419 20 30 CGEDHO CCCCCCCC[C@@H](O)C[N@@H+]1CCCC12CCNCC2 ZINC001246032879 804102176 /nfs/dbraw/zinc/10/21/76/804102176.db2.gz MBPGEGDJWZLZIC-QGZVFWFLSA-N 1 3 296.499 3.316 20 30 CGEDHO CCCCCCCC[C@@H](O)C[N@H+]1CCCC12CCNCC2 ZINC001246032879 804102180 /nfs/dbraw/zinc/10/21/80/804102180.db2.gz MBPGEGDJWZLZIC-QGZVFWFLSA-N 1 3 296.499 3.316 20 30 CGEDHO CCCCCCCC[C@H](O)C[N@H+](CC)C1CCNCC1 ZINC001246059031 804103808 /nfs/dbraw/zinc/10/38/08/804103808.db2.gz XPOARYZVQDCVPL-KRWDZBQOSA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@H](O)C[N@@H+](CC)C1CCNCC1 ZINC001246059031 804103815 /nfs/dbraw/zinc/10/38/15/804103815.db2.gz XPOARYZVQDCVPL-KRWDZBQOSA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@H](O)CN(CC)C1CC[NH2+]CC1 ZINC001246059031 804103820 /nfs/dbraw/zinc/10/38/20/804103820.db2.gz XPOARYZVQDCVPL-KRWDZBQOSA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCC[C@H](CC)N[C@@H]1COCCC12C[NH2+]C2 ZINC001246137929 804162339 /nfs/dbraw/zinc/16/23/39/804162339.db2.gz KJSAVERRIITZGH-JKSUJKDBSA-N 1 3 282.472 3.094 20 30 CGEDHO CCCCCCC[C@H](CC)[NH2+][C@@H]1COCCC12CNC2 ZINC001246137929 804162343 /nfs/dbraw/zinc/16/23/43/804162343.db2.gz KJSAVERRIITZGH-JKSUJKDBSA-N 1 3 282.472 3.094 20 30 CGEDHO CCCCCCC[C@@H](C)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246517917 804371638 /nfs/dbraw/zinc/37/16/38/804371638.db2.gz NPEDTBULPZBSNE-CZUORRHYSA-N 1 3 252.446 3.323 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](CN)[C@@H]3C)C[C@H](C1)C2 ZINC001246568148 804415329 /nfs/dbraw/zinc/41/53/29/804415329.db2.gz ZQZPKOCSVQNEPI-LADIWZGKSA-N 1 3 262.441 3.181 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CCC[C@H](CN)[C@@H]3C)C[C@H](C1)C2 ZINC001246568148 804415331 /nfs/dbraw/zinc/41/53/31/804415331.db2.gz ZQZPKOCSVQNEPI-LADIWZGKSA-N 1 3 262.441 3.181 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CCC[C@@]34CCCNC4)C[C@H](C1)C2 ZINC001246611595 804445633 /nfs/dbraw/zinc/44/56/33/804445633.db2.gz URSRIPZAWIMTAQ-UJJTZGENSA-N 1 3 274.452 3.339 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CCC[C@@]34CCCNC4)C[C@H](C1)C2 ZINC001246611595 804445636 /nfs/dbraw/zinc/44/56/36/804445636.db2.gz URSRIPZAWIMTAQ-UJJTZGENSA-N 1 3 274.452 3.339 20 30 CGEDHO CCCCCCC[C@H](CC)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246617470 804452606 /nfs/dbraw/zinc/45/26/06/804452606.db2.gz GFZNUGAANHGVFD-BZSNNMDCSA-N 1 3 295.515 3.151 20 30 CGEDHO CCCCCCC[C@H](CC)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246617470 804452608 /nfs/dbraw/zinc/45/26/08/804452608.db2.gz GFZNUGAANHGVFD-BZSNNMDCSA-N 1 3 295.515 3.151 20 30 CGEDHO C=CCCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246790992 804514358 /nfs/dbraw/zinc/51/43/58/804514358.db2.gz FXEGEZQMBQZBCU-JWTNVVGKSA-N 1 3 270.420 3.348 20 30 CGEDHO CC1(C)CC(N)CC(C)(C)[NH+]1C1CCC(C#N)CC1 ZINC001256953565 807015126 /nfs/dbraw/zinc/01/51/26/807015126.db2.gz KMPBFPQQPMSPST-UHFFFAOYSA-N 1 3 263.429 3.049 20 30 CGEDHO C=C1C[C@@H]2CC([NH+]3C[C@H]4CN(CCC)C[C@@H]4C3)C[C@H](C1)C2 ZINC001257894384 807244309 /nfs/dbraw/zinc/24/43/09/807244309.db2.gz RSWAUVKGVHBWCI-DZGDQSPQSA-N 1 3 288.479 3.395 20 30 CGEDHO CCCN(CCC#N)[C@@H](C)CCC[NH+](CC)CC ZINC001167826846 807255877 /nfs/dbraw/zinc/25/58/77/807255877.db2.gz RNZVRKPAHFUZKM-HNNXBMFYSA-N 1 3 253.434 3.123 20 30 CGEDHO C=CC[C@@H](NC1CC[NH+](CC)CC1)c1ccccc1 ZINC001169244905 807612472 /nfs/dbraw/zinc/61/24/72/807612472.db2.gz YFGZAKRWEHXJGK-QGZVFWFLSA-N 1 3 258.409 3.378 20 30 CGEDHO C#C[C@H]([NH2+]C1CCN(CCC(C)C)CC1)C(C)(C)C ZINC001206077167 813191734 /nfs/dbraw/zinc/19/17/34/813191734.db2.gz IMDGJMKMKIUBKO-INIZCTEOSA-N 1 3 264.457 3.134 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001206153760 813217422 /nfs/dbraw/zinc/21/74/22/813217422.db2.gz FNGKDBVONFWEIE-BZUAXINKSA-N 1 3 266.404 3.050 20 30 CGEDHO C[C@]1(C[NH3+])CCCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001206326315 813290472 /nfs/dbraw/zinc/29/04/72/813290472.db2.gz MWWGTPUWZNLBCQ-INIZCTEOSA-N 1 3 291.826 3.163 20 30 CGEDHO C=CCCCCN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349043 819075996 /nfs/dbraw/zinc/07/59/96/819075996.db2.gz KRFIBDYPTIBQJA-RTBURBONSA-N 1 3 284.447 3.422 20 30 CGEDHO CCCCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235404124 819085991 /nfs/dbraw/zinc/08/59/91/819085991.db2.gz MNYTZSHKNHBAGQ-JKSUJKDBSA-N 1 3 270.436 3.370 20 30 CGEDHO CCCCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235404124 819085997 /nfs/dbraw/zinc/08/59/97/819085997.db2.gz MNYTZSHKNHBAGQ-JKSUJKDBSA-N 1 3 270.436 3.370 20 30 CGEDHO CCCCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235404124 819086003 /nfs/dbraw/zinc/08/60/03/819086003.db2.gz MNYTZSHKNHBAGQ-JKSUJKDBSA-N 1 3 270.436 3.370 20 30 CGEDHO C[NH+](C)[C@@H]1CCCN(CCCCC2(C#N)CCC2)CC1 ZINC001354711698 937111020 /nfs/dbraw/zinc/11/10/20/937111020.db2.gz SPOXMNWBTJRDNW-MRXNPFEDSA-N 1 3 277.456 3.267 20 30 CGEDHO CN(C)[C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)CC1 ZINC001354711698 937111022 /nfs/dbraw/zinc/11/10/22/937111022.db2.gz SPOXMNWBTJRDNW-MRXNPFEDSA-N 1 3 277.456 3.267 20 30 CGEDHO CN(C)[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)CC1 ZINC001354711698 937111024 /nfs/dbraw/zinc/11/10/24/937111024.db2.gz SPOXMNWBTJRDNW-MRXNPFEDSA-N 1 3 277.456 3.267 20 30 CGEDHO CC[N@@H+]1CCC[C@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925403 933957867 /nfs/dbraw/zinc/95/78/67/933957867.db2.gz MJVWCPKIUIRUPD-APWZRJJASA-N 1 3 297.446 3.257 20 30 CGEDHO CC[N@H+]1CCC[C@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925403 933957873 /nfs/dbraw/zinc/95/78/73/933957873.db2.gz MJVWCPKIUIRUPD-APWZRJJASA-N 1 3 297.446 3.257 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576301209 962450549 /nfs/dbraw/zinc/45/05/49/962450549.db2.gz NHPSDXIYWOXNSR-JLSDUUJJSA-N 1 3 283.419 3.070 20 30 CGEDHO N#C[C@@H]1CC[C@H](N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000590153397 346832660 /nfs/dbraw/zinc/83/26/60/346832660.db2.gz GJCPHSQPDOBZDA-MSOLQXFVSA-N 1 3 289.467 3.267 20 30 CGEDHO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000591578309 346929912 /nfs/dbraw/zinc/92/99/12/346929912.db2.gz OMFYMVRQAXFMAX-LMDPOFIKSA-N 1 3 297.446 3.122 20 30 CGEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000091512962 345817754 /nfs/dbraw/zinc/81/77/54/345817754.db2.gz XCYCIUKDRGLSTL-HOTGVXAUSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@H](C)[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000091512962 345817757 /nfs/dbraw/zinc/81/77/57/345817757.db2.gz XCYCIUKDRGLSTL-HOTGVXAUSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@H](C)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000091512962 345817758 /nfs/dbraw/zinc/81/77/58/345817758.db2.gz XCYCIUKDRGLSTL-HOTGVXAUSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@H](C)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000091512962 345817760 /nfs/dbraw/zinc/81/77/60/345817760.db2.gz XCYCIUKDRGLSTL-HOTGVXAUSA-N 1 3 252.446 3.395 20 30 CGEDHO C#CCCCC[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000090397945 345787321 /nfs/dbraw/zinc/78/73/21/345787321.db2.gz FQHYMOAOBSFSJJ-AEFFLSMTSA-N 1 3 276.468 3.423 20 30 CGEDHO C#CCCCCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000090397945 345787323 /nfs/dbraw/zinc/78/73/23/345787323.db2.gz FQHYMOAOBSFSJJ-AEFFLSMTSA-N 1 3 276.468 3.423 20 30 CGEDHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000602020569 347934017 /nfs/dbraw/zinc/93/40/17/347934017.db2.gz MPGNLSMFEISNIE-FUHWJXTLSA-N 1 3 297.446 3.303 20 30 CGEDHO C[C@H](CCC#N)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000602727645 348019114 /nfs/dbraw/zinc/01/91/14/348019114.db2.gz FWDBRJKPYPSNLX-ZIFCJYIRSA-N 1 3 299.462 3.284 20 30 CGEDHO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000161510742 372330959 /nfs/dbraw/zinc/33/09/59/372330959.db2.gz LKQXFZMWMOTOAR-HLLBOEOZSA-N 1 3 288.435 3.070 20 30 CGEDHO CCN1CC[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000344388619 217177209 /nfs/dbraw/zinc/17/72/09/217177209.db2.gz BHJFONNMZZWPPY-BBRMVZONSA-N 1 3 289.398 3.002 20 30 CGEDHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000344388619 217177211 /nfs/dbraw/zinc/17/72/11/217177211.db2.gz BHJFONNMZZWPPY-BBRMVZONSA-N 1 3 289.398 3.002 20 30 CGEDHO CC(C)(C)N1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000520581734 375866067 /nfs/dbraw/zinc/86/60/67/375866067.db2.gz DHSUHCPSDPRLEV-UHFFFAOYSA-N 1 3 285.435 3.105 20 30 CGEDHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000544141238 376709312 /nfs/dbraw/zinc/70/93/12/376709312.db2.gz BQIZGRKTVDYNOC-UHFFFAOYSA-N 1 3 299.462 3.305 20 30 CGEDHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000544141238 376709316 /nfs/dbraw/zinc/70/93/16/376709316.db2.gz BQIZGRKTVDYNOC-UHFFFAOYSA-N 1 3 299.462 3.305 20 30 CGEDHO C=CC[C@@H]1[N@@H+](C[C@H]2CCCNC2)CCCC1(C)C ZINC000261875527 377863639 /nfs/dbraw/zinc/86/36/39/377863639.db2.gz VQIWYFJHGLWPRC-GJZGRUSLSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CC[C@@H]1[N@H+](C[C@H]2CCCNC2)CCCC1(C)C ZINC000261875527 377863644 /nfs/dbraw/zinc/86/36/44/377863644.db2.gz VQIWYFJHGLWPRC-GJZGRUSLSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CCOc1ccccc1CN1CCC(C[NH+](C)C)CC1 ZINC000350184661 379528171 /nfs/dbraw/zinc/52/81/71/379528171.db2.gz PGEUWAYBTVLTTD-UHFFFAOYSA-N 1 3 288.435 3.025 20 30 CGEDHO C[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)CN1CCCCC1 ZINC000353383234 380204814 /nfs/dbraw/zinc/20/48/14/380204814.db2.gz IREXUOUCHMDGAR-BEFAXECRSA-N 1 3 297.446 3.257 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000414310115 380211360 /nfs/dbraw/zinc/21/13/60/380211360.db2.gz WBBRMFIYEPLVIN-QRVBRYPASA-N 1 3 284.447 3.390 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414310115 380211366 /nfs/dbraw/zinc/21/13/66/380211366.db2.gz WBBRMFIYEPLVIN-QRVBRYPASA-N 1 3 284.447 3.390 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000414310115 380211369 /nfs/dbraw/zinc/21/13/69/380211369.db2.gz WBBRMFIYEPLVIN-QRVBRYPASA-N 1 3 284.447 3.390 20 30 CGEDHO C[C@@H]1C[C@@H](NCC2(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361431160 381743942 /nfs/dbraw/zinc/74/39/42/381743942.db2.gz CJZGXRLCJOHMMM-AEFFLSMTSA-N 1 3 297.446 3.323 20 30 CGEDHO C[C@@H]1C[C@@H](NCC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361431160 381743948 /nfs/dbraw/zinc/74/39/48/381743948.db2.gz CJZGXRLCJOHMMM-AEFFLSMTSA-N 1 3 297.446 3.323 20 30 CGEDHO Cc1cc(CN2CCC(C[NH+]3CCCC3)CC2)ccc1C#N ZINC000362960595 382166394 /nfs/dbraw/zinc/16/63/94/382166394.db2.gz PQIQYIHOVMUIHT-UHFFFAOYSA-N 1 3 297.446 3.175 20 30 CGEDHO C=CCC1(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CCCC1 ZINC000449605128 393917880 /nfs/dbraw/zinc/91/78/80/393917880.db2.gz MCFMXMKHHMCURA-JKSUJKDBSA-N 1 3 262.441 3.339 20 30 CGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000657531420 419299863 /nfs/dbraw/zinc/29/98/63/419299863.db2.gz YRFAFGTXAWMFGY-TWMKSMIVSA-N 1 3 262.441 3.338 20 30 CGEDHO C=CCCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000658116526 419591221 /nfs/dbraw/zinc/59/12/21/419591221.db2.gz MFMPJXHOJJIVMG-GDBMZVCRSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCC[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000658116526 419591227 /nfs/dbraw/zinc/59/12/27/419591227.db2.gz MFMPJXHOJJIVMG-GDBMZVCRSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000658116531 419591790 /nfs/dbraw/zinc/59/17/90/419591790.db2.gz MFMPJXHOJJIVMG-HOCLYGCPSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCC[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000658116531 419591798 /nfs/dbraw/zinc/59/17/98/419591798.db2.gz MFMPJXHOJJIVMG-HOCLYGCPSA-N 1 3 250.430 3.195 20 30 CGEDHO CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000361435822 261270987 /nfs/dbraw/zinc/27/09/87/261270987.db2.gz OGWHVVRJGAUOQS-GVDBMIGSSA-N 1 3 277.456 3.169 20 30 CGEDHO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000361435822 261270989 /nfs/dbraw/zinc/27/09/89/261270989.db2.gz OGWHVVRJGAUOQS-GVDBMIGSSA-N 1 3 277.456 3.169 20 30 CGEDHO C[N@@H+]1CC[C@H](NCC(C)(C)CC#N)C[C@H]1c1ccccc1 ZINC000414163399 262819380 /nfs/dbraw/zinc/81/93/80/262819380.db2.gz IMVHDDONCJDZAU-IRXDYDNUSA-N 1 3 285.435 3.351 20 30 CGEDHO C[N@H+]1CC[C@H](NCC(C)(C)CC#N)C[C@H]1c1ccccc1 ZINC000414163399 262819381 /nfs/dbraw/zinc/81/93/81/262819381.db2.gz IMVHDDONCJDZAU-IRXDYDNUSA-N 1 3 285.435 3.351 20 30 CGEDHO N#CCCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000273125795 263013118 /nfs/dbraw/zinc/01/31/18/263013118.db2.gz ANIQZWIFQYNBRB-CEXWTWQISA-N 1 3 297.446 3.180 20 30 CGEDHO N#CCCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000273125795 263013119 /nfs/dbraw/zinc/01/31/19/263013119.db2.gz ANIQZWIFQYNBRB-CEXWTWQISA-N 1 3 297.446 3.180 20 30 CGEDHO N#CCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000273125795 263013120 /nfs/dbraw/zinc/01/31/20/263013120.db2.gz ANIQZWIFQYNBRB-CEXWTWQISA-N 1 3 297.446 3.180 20 30 CGEDHO C=CCC[C@H](CC)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423500659 330208433 /nfs/dbraw/zinc/20/84/33/330208433.db2.gz CWZHFKTZFBXSFH-YESZJQIVSA-N 1 3 258.409 3.076 20 30 CGEDHO C=C(C)CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449475145 330928850 /nfs/dbraw/zinc/92/88/50/330928850.db2.gz KOHCOJLWHIULRU-UHFFFAOYSA-N 1 3 250.430 3.339 20 30 CGEDHO C[C@H]1CCC[N@H+](CCCCNCc2cc(C#N)cs2)C1 ZINC000177685754 335378770 /nfs/dbraw/zinc/37/87/70/335378770.db2.gz QJZOYLZXHMYABR-AWEZNQCLSA-N 1 3 291.464 3.221 20 30 CGEDHO C[C@H]1CCC[N@@H+](CCCCNCc2cc(C#N)cs2)C1 ZINC000177685754 335378772 /nfs/dbraw/zinc/37/87/72/335378772.db2.gz QJZOYLZXHMYABR-AWEZNQCLSA-N 1 3 291.464 3.221 20 30 CGEDHO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000333279879 534577135 /nfs/dbraw/zinc/57/71/35/534577135.db2.gz MGEOYRJOXUYVDB-BMHOQUIDSA-N 1 3 297.446 3.250 20 30 CGEDHO CCC[N@H+](Cc1c(C)cc(C#N)cc1C)C1CCNCC1 ZINC000903444982 621757631 /nfs/dbraw/zinc/75/76/31/621757631.db2.gz HDUABEVWFJSMME-UHFFFAOYSA-N 1 3 285.435 3.139 20 30 CGEDHO CCC[N@@H+](Cc1c(C)cc(C#N)cc1C)C1CCNCC1 ZINC000903444982 621757638 /nfs/dbraw/zinc/75/76/38/621757638.db2.gz HDUABEVWFJSMME-UHFFFAOYSA-N 1 3 285.435 3.139 20 30 CGEDHO CCCN(Cc1c(C)cc(C#N)cc1C)C1CC[NH2+]CC1 ZINC000903444982 621757640 /nfs/dbraw/zinc/75/76/40/621757640.db2.gz HDUABEVWFJSMME-UHFFFAOYSA-N 1 3 285.435 3.139 20 30 CGEDHO C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(SC)c(F)c1 ZINC000815651831 631814455 /nfs/dbraw/zinc/81/44/55/631814455.db2.gz FNCIVWXYXUNHHK-CYBMUJFWSA-N 1 3 294.439 3.153 20 30 CGEDHO C#CC[N@H+](C)CCCN[C@H](C)c1ccc(SC)c(F)c1 ZINC000815651831 631814456 /nfs/dbraw/zinc/81/44/56/631814456.db2.gz FNCIVWXYXUNHHK-CYBMUJFWSA-N 1 3 294.439 3.153 20 30 CGEDHO C=CCOc1cccc(CNCc2ccc(CC[NH3+])cc2)c1 ZINC000841034886 635110416 /nfs/dbraw/zinc/11/04/16/635110416.db2.gz GLJYBUUZFGNIJV-UHFFFAOYSA-N 1 3 296.414 3.042 20 30 CGEDHO C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(C)CC1 ZINC001254507258 806427122 /nfs/dbraw/zinc/42/71/22/806427122.db2.gz AFBLEWHWINYXHG-HZPDHXFCSA-N 1 3 288.435 3.386 20 30 CGEDHO CC(C)(C)N1CCC([NH2+]CCCCCCS)CC1 ZINC001256566452 806917815 /nfs/dbraw/zinc/91/78/15/806917815.db2.gz KMSZLVLZYUZREI-UHFFFAOYSA-N 1 3 272.502 3.329 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@H]([NH3+])c1ccccc1 ZINC001245996549 804094707 /nfs/dbraw/zinc/09/47/07/804094707.db2.gz VSQGAORGRXNDPB-ROUUACIJSA-N 1 3 292.467 3.388 20 30 CGEDHO CCCCCCCCCCCCNC[C@]1(O)CC[NH2+]C1 ZINC001245990819 804095748 /nfs/dbraw/zinc/09/57/48/804095748.db2.gz SSSWBPSZAILLSA-QGZVFWFLSA-N 1 3 284.488 3.221 20 30 CGEDHO C#CC(CC)(CC)[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246073262 804110574 /nfs/dbraw/zinc/11/05/74/804110574.db2.gz WGPHNZCYCGKIHJ-MSOLQXFVSA-N 1 3 284.447 3.131 20 30 CGEDHO CCCCCCC[C@@H](CCC)[NH2+][C@]12C[C@H]1CNC2 ZINC001246133982 804158704 /nfs/dbraw/zinc/15/87/04/804158704.db2.gz KZHIYQWWDQXPRT-XHSDSOJGSA-N 1 3 252.446 3.467 20 30 CGEDHO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@H](N)CC3)CC2)cc1 ZINC001246549359 804398873 /nfs/dbraw/zinc/39/88/73/804398873.db2.gz WTQITGDHLISNDP-XBMUEBEBSA-N 1 3 297.446 3.398 20 30 CGEDHO N#Cc1ccc(C2CCC([N@H+]3CCC[C@H](N)CC3)CC2)cc1 ZINC001246549359 804398887 /nfs/dbraw/zinc/39/88/87/804398887.db2.gz WTQITGDHLISNDP-XBMUEBEBSA-N 1 3 297.446 3.398 20 30 CGEDHO CCCCCCCCC[C@H](C)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246628521 804459103 /nfs/dbraw/zinc/45/91/03/804459103.db2.gz ZZRUMKNXTZVNGI-RCCFBDPRSA-N 1 3 296.499 3.436 20 30 CGEDHO CCCCCCCCC[C@@H](C)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246642126 804469113 /nfs/dbraw/zinc/46/91/13/804469113.db2.gz LKWOZXHKPWZJEM-MSOLQXFVSA-N 1 3 295.515 3.153 20 30 CGEDHO C=CC[N@H+](C1CCCCC1)[C@@H]1CCN[C@H](CC)C1 ZINC001246944838 804612283 /nfs/dbraw/zinc/61/22/83/804612283.db2.gz CYPMKPBPLDSWET-GDBMZVCRSA-N 1 3 250.430 3.338 20 30 CGEDHO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCN[C@H](CC)C1 ZINC001246944838 804612286 /nfs/dbraw/zinc/61/22/86/804612286.db2.gz CYPMKPBPLDSWET-GDBMZVCRSA-N 1 3 250.430 3.338 20 30 CGEDHO C=C1C[C@@H]2CC([NH+]3CCC4(CN(C)C4)CC3)C[C@H](C1)C2 ZINC001257895596 807245462 /nfs/dbraw/zinc/24/54/62/807245462.db2.gz UZEUDWNKHAEOHP-SJPCQFCGSA-N 1 3 274.452 3.149 20 30 CGEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(C)(C)c1ccc(C#N)cc1)C2 ZINC001172103135 808174507 /nfs/dbraw/zinc/17/45/07/808174507.db2.gz SIQOWAYYWUJDGY-BCDXTJNWSA-N 1 3 297.446 3.398 20 30 CGEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(C)(C)c1ccc(C#N)cc1)C2 ZINC001172103135 808174511 /nfs/dbraw/zinc/17/45/11/808174511.db2.gz SIQOWAYYWUJDGY-BCDXTJNWSA-N 1 3 297.446 3.398 20 30 CGEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001172294123 808219023 /nfs/dbraw/zinc/21/90/23/808219023.db2.gz FYDBGAKCHLMENQ-AWEZNQCLSA-N 1 3 299.462 3.470 20 30 CGEDHO C[C@H](CCCC#N)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001172493071 808354101 /nfs/dbraw/zinc/35/41/01/808354101.db2.gz VYQNDPLAQHDMKI-SJORKVTESA-N 1 3 289.467 3.479 20 30 CGEDHO CCCCCCC[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001201798494 811966241 /nfs/dbraw/zinc/96/62/41/811966241.db2.gz WPQSKLVKZGNNFV-IYBDPMFKSA-N 1 3 252.446 3.230 20 30 CGEDHO CCCCCCC[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001201798494 811966243 /nfs/dbraw/zinc/96/62/43/811966243.db2.gz WPQSKLVKZGNNFV-IYBDPMFKSA-N 1 3 252.446 3.230 20 30 CGEDHO CCCCCCCN1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1 ZINC001201798494 811966246 /nfs/dbraw/zinc/96/62/46/811966246.db2.gz WPQSKLVKZGNNFV-IYBDPMFKSA-N 1 3 252.446 3.230 20 30 CGEDHO CCCCCCCN1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001201798494 811966248 /nfs/dbraw/zinc/96/62/48/811966248.db2.gz WPQSKLVKZGNNFV-IYBDPMFKSA-N 1 3 252.446 3.230 20 30 CGEDHO C[C@@H]1CCN(Cc2cccc(C#N)c2Cl)CC[C@H]1C[NH3+] ZINC001205626806 813033214 /nfs/dbraw/zinc/03/32/14/813033214.db2.gz JKBSZSLYSJVDRI-OLZOCXBDSA-N 1 3 291.826 3.018 20 30 CGEDHO C=CCCCCC[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001209428513 814030077 /nfs/dbraw/zinc/03/00/77/814030077.db2.gz IZOWFCAHIOCYKO-GOSISDBHSA-N 1 3 294.483 3.308 20 30 CGEDHO CCCCCCCCC[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222614231 816478871 /nfs/dbraw/zinc/47/88/71/816478871.db2.gz CJMGPFOUGCAGJG-JKSUJKDBSA-N 1 3 252.446 3.421 20 30 CGEDHO CCCCCCCCC[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222614231 816478872 /nfs/dbraw/zinc/47/88/72/816478872.db2.gz CJMGPFOUGCAGJG-JKSUJKDBSA-N 1 3 252.446 3.421 20 30 CGEDHO CCCCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235404122 819085872 /nfs/dbraw/zinc/08/58/72/819085872.db2.gz MNYTZSHKNHBAGQ-HOTGVXAUSA-N 1 3 270.436 3.370 20 30 CGEDHO CCCCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235404122 819085862 /nfs/dbraw/zinc/08/58/62/819085862.db2.gz MNYTZSHKNHBAGQ-HOTGVXAUSA-N 1 3 270.436 3.370 20 30 CGEDHO CCCCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235404122 819085867 /nfs/dbraw/zinc/08/58/67/819085867.db2.gz MNYTZSHKNHBAGQ-HOTGVXAUSA-N 1 3 270.436 3.370 20 30 CGEDHO C=CCCCCCCC[N@@H+](CCOC)C1CCNCC1 ZINC001235946774 819236250 /nfs/dbraw/zinc/23/62/50/819236250.db2.gz SGAWCDDRAUCNKM-UHFFFAOYSA-N 1 3 282.472 3.213 20 30 CGEDHO C=CCCCCCCC[N@H+](CCOC)C1CCNCC1 ZINC001235946774 819236255 /nfs/dbraw/zinc/23/62/55/819236255.db2.gz SGAWCDDRAUCNKM-UHFFFAOYSA-N 1 3 282.472 3.213 20 30 CGEDHO C=CCCCCCCCN(CCOC)C1CC[NH2+]CC1 ZINC001235946774 819236262 /nfs/dbraw/zinc/23/62/62/819236262.db2.gz SGAWCDDRAUCNKM-UHFFFAOYSA-N 1 3 282.472 3.213 20 30 CGEDHO N#CC1(c2ccccc2)CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000591578035 346930178 /nfs/dbraw/zinc/93/01/78/346930178.db2.gz OJPQADLLZOZEFW-XBMUEBEBSA-N 1 3 297.446 3.122 20 30 CGEDHO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000602595900 347990783 /nfs/dbraw/zinc/99/07/83/347990783.db2.gz GDYZVLIBVJVPSC-SOEBMCCKSA-N 1 3 289.467 3.311 20 30 CGEDHO C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)CN1CCCC1 ZINC000611391135 348444476 /nfs/dbraw/zinc/44/44/76/348444476.db2.gz UUKZGRUPNLKLIE-HNAYVOBHSA-N 1 3 297.446 3.257 20 30 CGEDHO Cc1cc(C#N)ccc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000614397253 348673143 /nfs/dbraw/zinc/67/31/43/348673143.db2.gz GIRGMFUQUGUDJP-UHFFFAOYSA-N 1 3 299.462 3.419 20 30 CGEDHO Cc1cc(C#N)ccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000614397253 348673146 /nfs/dbraw/zinc/67/31/46/348673146.db2.gz GIRGMFUQUGUDJP-UHFFFAOYSA-N 1 3 299.462 3.419 20 30 CGEDHO C[C@H](CCC#N)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000618888403 349176360 /nfs/dbraw/zinc/17/63/60/349176360.db2.gz XHXDUJVUURFBNP-PMPSAXMXSA-N 1 3 277.456 3.169 20 30 CGEDHO C[NH+](C)CCCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000123103596 187071415 /nfs/dbraw/zinc/07/14/15/187071415.db2.gz OCPPRTVLXUFQHC-UHFFFAOYSA-N 1 3 285.435 3.112 20 30 CGEDHO C=CCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000133125741 371229135 /nfs/dbraw/zinc/22/91/35/371229135.db2.gz USIYLOHVRSISLO-INIZCTEOSA-N 1 3 250.430 3.151 20 30 CGEDHO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCN(CCC)C1 ZINC000449094152 373661559 /nfs/dbraw/zinc/66/15/59/373661559.db2.gz QNCGACHJULKSGN-CVEARBPZSA-N 1 3 252.446 3.443 20 30 CGEDHO N#C[C@H]1CCC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000192926155 375803857 /nfs/dbraw/zinc/80/38/57/375803857.db2.gz HESGXCDXDNHULN-RDJZCZTQSA-N 1 3 289.467 3.455 20 30 CGEDHO N#C[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000192926155 375803865 /nfs/dbraw/zinc/80/38/65/375803865.db2.gz HESGXCDXDNHULN-RDJZCZTQSA-N 1 3 289.467 3.455 20 30 CGEDHO C=CCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000343731961 378077402 /nfs/dbraw/zinc/07/74/02/378077402.db2.gz HEIZVCIIBYXOJA-UHFFFAOYSA-N 1 3 258.409 3.016 20 30 CGEDHO C=CCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000343731961 378077405 /nfs/dbraw/zinc/07/74/05/378077405.db2.gz HEIZVCIIBYXOJA-UHFFFAOYSA-N 1 3 258.409 3.016 20 30 CGEDHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249361 393315613 /nfs/dbraw/zinc/31/56/13/393315613.db2.gz MLJMUVFINADHJX-CRAIPNDOSA-N 1 3 283.419 3.083 20 30 CGEDHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249361 393315621 /nfs/dbraw/zinc/31/56/21/393315621.db2.gz MLJMUVFINADHJX-CRAIPNDOSA-N 1 3 283.419 3.083 20 30 CGEDHO C=C(C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000675784124 543364856 /nfs/dbraw/zinc/36/48/56/543364856.db2.gz UZGVSIYOAFPQOJ-UHFFFAOYSA-N 1 3 270.420 3.164 20 30 CGEDHO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158698098 287131230 /nfs/dbraw/zinc/13/12/30/287131230.db2.gz HZDJQWPMSQSDIB-BMGDILEWSA-N 1 3 283.419 3.035 20 30 CGEDHO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158698098 287131232 /nfs/dbraw/zinc/13/12/32/287131232.db2.gz HZDJQWPMSQSDIB-BMGDILEWSA-N 1 3 283.419 3.035 20 30 CGEDHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000037786274 260118262 /nfs/dbraw/zinc/11/82/62/260118262.db2.gz DEXUHMKEHXEJAK-AWEZNQCLSA-N 1 3 285.435 3.472 20 30 CGEDHO CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@H](C#N)C1 ZINC000361435824 261270972 /nfs/dbraw/zinc/27/09/72/261270972.db2.gz OGWHVVRJGAUOQS-YESZJQIVSA-N 1 3 277.456 3.169 20 30 CGEDHO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@H](C#N)C1 ZINC000361435824 261270974 /nfs/dbraw/zinc/27/09/74/261270974.db2.gz OGWHVVRJGAUOQS-YESZJQIVSA-N 1 3 277.456 3.169 20 30 CGEDHO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000161510652 264288281 /nfs/dbraw/zinc/28/82/81/264288281.db2.gz LKQXFZMWMOTOAR-BFYDXBDKSA-N 1 3 288.435 3.070 20 30 CGEDHO C[N@@H+]1CCC[C@@H]2CN(CCC3(C#N)CCCCC3)CC[C@@H]21 ZINC000334557484 277068235 /nfs/dbraw/zinc/06/82/35/277068235.db2.gz HILARIDLGOBJJP-SJORKVTESA-N 1 3 289.467 3.267 20 30 CGEDHO C[N@H+]1CCC[C@@H]2CN(CCC3(C#N)CCCCC3)CC[C@@H]21 ZINC000334557484 277068238 /nfs/dbraw/zinc/06/82/38/277068238.db2.gz HILARIDLGOBJJP-SJORKVTESA-N 1 3 289.467 3.267 20 30 CGEDHO CN1CCC[C@@H]2C[N@H+](CCC3(C#N)CCCCC3)CC[C@@H]21 ZINC000334557484 277068239 /nfs/dbraw/zinc/06/82/39/277068239.db2.gz HILARIDLGOBJJP-SJORKVTESA-N 1 3 289.467 3.267 20 30 CGEDHO CN1CCC[C@@H]2C[N@@H+](CCC3(C#N)CCCCC3)CC[C@@H]21 ZINC000334557484 277068240 /nfs/dbraw/zinc/06/82/40/277068240.db2.gz HILARIDLGOBJJP-SJORKVTESA-N 1 3 289.467 3.267 20 30 CGEDHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000154317819 277386124 /nfs/dbraw/zinc/38/61/24/277386124.db2.gz TXNBENKSXAHYHU-HNNXBMFYSA-N 1 3 285.435 3.329 20 30 CGEDHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867725 322094304 /nfs/dbraw/zinc/09/43/04/322094304.db2.gz YHVCLCYKMCGAQM-APWZRJJASA-N 1 3 297.446 3.257 20 30 CGEDHO C[N@H+]1CCC[C@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867725 322094307 /nfs/dbraw/zinc/09/43/07/322094307.db2.gz YHVCLCYKMCGAQM-APWZRJJASA-N 1 3 297.446 3.257 20 30 CGEDHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867728 322094623 /nfs/dbraw/zinc/09/46/23/322094623.db2.gz YHVCLCYKMCGAQM-VQIMIIECSA-N 1 3 297.446 3.257 20 30 CGEDHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867728 322094624 /nfs/dbraw/zinc/09/46/24/322094624.db2.gz YHVCLCYKMCGAQM-VQIMIIECSA-N 1 3 297.446 3.257 20 30 CGEDHO CC(C)(CCC#N)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423130357 330171778 /nfs/dbraw/zinc/17/17/78/330171778.db2.gz RYFFVRRZZRPNPT-GJZGRUSLSA-N 1 3 257.381 3.051 20 30 CGEDHO CC[NH+](CC)Cc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442706417 330780034 /nfs/dbraw/zinc/78/00/34/330780034.db2.gz DGQZCDCGCDSFBY-YJBOKZPZSA-N 1 3 285.435 3.310 20 30 CGEDHO C[NH+](C)CC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487367694 331967762 /nfs/dbraw/zinc/96/77/62/331967762.db2.gz SHPVNBPRDIUSMZ-UHFFFAOYSA-N 1 3 299.462 3.261 20 30 CGEDHO C=CCCCCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000488469317 332012341 /nfs/dbraw/zinc/01/23/41/332012341.db2.gz ZDEHIDNLZNKQOH-KRWDZBQOSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCCCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000488469317 332012342 /nfs/dbraw/zinc/01/23/42/332012342.db2.gz ZDEHIDNLZNKQOH-KRWDZBQOSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCCCC[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000488469317 332012343 /nfs/dbraw/zinc/01/23/43/332012343.db2.gz ZDEHIDNLZNKQOH-KRWDZBQOSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCCCC[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000488469317 332012344 /nfs/dbraw/zinc/01/23/44/332012344.db2.gz ZDEHIDNLZNKQOH-KRWDZBQOSA-N 1 3 264.457 3.397 20 30 CGEDHO CC(C)[C@@H](CN[C@H]1CCC[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000185776584 333148426 /nfs/dbraw/zinc/14/84/26/333148426.db2.gz KYEUNDGDCLWWIE-OKZBNKHCSA-N 1 3 291.483 3.415 20 30 CGEDHO C=C(CC)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000354881577 526849594 /nfs/dbraw/zinc/84/95/94/526849594.db2.gz UVFCQZYDPADHNI-UHFFFAOYSA-N 1 3 273.424 3.196 20 30 CGEDHO C=C(CC)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000354881577 526849599 /nfs/dbraw/zinc/84/95/99/526849599.db2.gz UVFCQZYDPADHNI-UHFFFAOYSA-N 1 3 273.424 3.196 20 30 CGEDHO C[C@@H]1CCC[N@H+](CCCCNCC#Cc2ccccc2)C1 ZINC000892583262 618867511 /nfs/dbraw/zinc/86/75/11/618867511.db2.gz BNFGTRNDPZPLLX-GOSISDBHSA-N 1 3 284.447 3.140 20 30 CGEDHO C[C@@H]1CCC[N@@H+](CCCCNCC#Cc2ccccc2)C1 ZINC000892583262 618867512 /nfs/dbraw/zinc/86/75/12/618867512.db2.gz BNFGTRNDPZPLLX-GOSISDBHSA-N 1 3 284.447 3.140 20 30 CGEDHO C[C@@H](CN(C)C)[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000895380035 619817006 /nfs/dbraw/zinc/81/70/06/619817006.db2.gz XCIBOXLKRHMLEA-YJBOKZPZSA-N 1 3 285.435 3.110 20 30 CGEDHO C[C@@H](CN(C)C)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000895380035 619817007 /nfs/dbraw/zinc/81/70/07/619817007.db2.gz XCIBOXLKRHMLEA-YJBOKZPZSA-N 1 3 285.435 3.110 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@H]1CCN(CC)C1)[C@]1(C)CCCCO1 ZINC000902753658 621425164 /nfs/dbraw/zinc/42/51/64/621425164.db2.gz RPNUASOPEHLLLV-SQNIBIBYSA-N 1 3 294.483 3.212 20 30 CGEDHO Cc1cc(C#N)cc(C)c1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000903453754 621761051 /nfs/dbraw/zinc/76/10/51/621761051.db2.gz KNRYJBXZPDPJCS-PKOBYXMFSA-N 1 3 297.446 3.139 20 30 CGEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](N)CC)cc1 ZINC000817979722 632270278 /nfs/dbraw/zinc/27/02/78/632270278.db2.gz NSLYYNVLSHSYFR-JSGCOSHPSA-N 1 3 282.815 3.206 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCCO1 ZINC000883185912 636572549 /nfs/dbraw/zinc/57/25/49/636572549.db2.gz GRCRMGSDWQHVDP-BZSNNMDCSA-N 1 3 294.483 3.210 20 30 CGEDHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000848541307 636597867 /nfs/dbraw/zinc/59/78/67/636597867.db2.gz WMMQABXARYTXOR-ROUUACIJSA-N 1 3 299.462 3.450 20 30 CGEDHO CC[C@@H](N[C@@H]1CCC[N@H+](C)CC1)c1cccc(C#N)c1 ZINC001254508449 806427771 /nfs/dbraw/zinc/42/77/71/806427771.db2.gz QWSJYKXKKVGUQS-IAGOWNOFSA-N 1 3 271.408 3.083 20 30 CGEDHO CC[C@@H](N[C@@H]1CCC[N@@H+](C)CC1)c1cccc(C#N)c1 ZINC001254508449 806427776 /nfs/dbraw/zinc/42/77/76/806427776.db2.gz QWSJYKXKKVGUQS-IAGOWNOFSA-N 1 3 271.408 3.083 20 30 CGEDHO CC[C@H](CC#N)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001255155341 806556680 /nfs/dbraw/zinc/55/66/80/806556680.db2.gz PGUIAZQKNKYTPW-MRXNPFEDSA-N 1 3 277.456 3.313 20 30 CGEDHO N#CC1CC[NH+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255399677 806633058 /nfs/dbraw/zinc/63/30/58/806633058.db2.gz XDJCSSVHTQQPMZ-IBGZPJMESA-N 1 3 297.446 3.277 20 30 CGEDHO CCCCCCCCCCCC[C@@H](O)CNCC1C[NH2+]C1 ZINC001245975718 804092495 /nfs/dbraw/zinc/09/24/95/804092495.db2.gz QEPWHCMPKRHMLW-GOSISDBHSA-N 1 3 298.515 3.467 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@@H]1CCCC[NH2+]C1 ZINC001245981012 804093303 /nfs/dbraw/zinc/09/33/03/804093303.db2.gz DSEFCBZIAJRFKJ-SJORKVTESA-N 1 3 284.488 3.077 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC001245996495 804095673 /nfs/dbraw/zinc/09/56/73/804095673.db2.gz VQFMRDWWMMLTPP-YESZJQIVSA-N 1 3 284.488 3.348 20 30 CGEDHO CCCCCCCC[C@H](O)CN(C)C[C@H]1CCC[NH2+]C1 ZINC001246048210 804103875 /nfs/dbraw/zinc/10/38/75/804103875.db2.gz YPKYTAFZPVOLDY-IRXDYDNUSA-N 1 3 284.488 3.029 20 30 CGEDHO CCCCCCCC[C@@H](O)CN1CCC[C@@](C)(C[NH3+])C1 ZINC001246057735 804104595 /nfs/dbraw/zinc/10/45/95/804104595.db2.gz GMBWPWWEEJDJED-SJORKVTESA-N 1 3 284.488 3.159 20 30 CGEDHO CCCCCCCC[C@H](O)CN(C)C[C@@H]1CCC[NH2+]C1 ZINC001246048213 804105149 /nfs/dbraw/zinc/10/51/49/804105149.db2.gz YPKYTAFZPVOLDY-SJORKVTESA-N 1 3 284.488 3.029 20 30 CGEDHO CCCCCCC[C@H](CC)N[C@H]1COCCC12C[NH2+]C2 ZINC001246137927 804161646 /nfs/dbraw/zinc/16/16/46/804161646.db2.gz KJSAVERRIITZGH-HOTGVXAUSA-N 1 3 282.472 3.094 20 30 CGEDHO CCCCCCC[C@H](CC)[NH2+][C@H]1COCCC12CNC2 ZINC001246137927 804161654 /nfs/dbraw/zinc/16/16/54/804161654.db2.gz KJSAVERRIITZGH-HOTGVXAUSA-N 1 3 282.472 3.094 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+]C[C@H]1CNCC[C@@H]1F ZINC001246223056 804217787 /nfs/dbraw/zinc/21/77/87/804217787.db2.gz PJEGNVVLPKMCFI-ZNMIVQPWSA-N 1 3 258.425 3.273 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+][C@@H]1CCNCC12CC2 ZINC001246475702 804351874 /nfs/dbraw/zinc/35/18/74/804351874.db2.gz VFGJGKPGUKPLLQ-LSDHHAIUSA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+][C@H]1CCNCC12CC2 ZINC001246475696 804352080 /nfs/dbraw/zinc/35/20/80/804352080.db2.gz VFGJGKPGUKPLLQ-GJZGRUSLSA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246517918 804371728 /nfs/dbraw/zinc/37/17/28/804371728.db2.gz NPEDTBULPZBSNE-XJKSGUPXSA-N 1 3 252.446 3.323 20 30 CGEDHO CCCCCCC[C@@H](CCC)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246658525 804482285 /nfs/dbraw/zinc/48/22/85/804482285.db2.gz CNPVNVNXDQWTPN-LVQVYYBASA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCC[C@@H](CCC)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246658525 804482286 /nfs/dbraw/zinc/48/22/86/804482286.db2.gz CNPVNVNXDQWTPN-LVQVYYBASA-N 1 3 252.446 3.405 20 30 CGEDHO C=CCC[N@H+](Cc1ccccc1)[C@@H]1CCN[C@H](C)C1 ZINC001246799405 804521042 /nfs/dbraw/zinc/52/10/42/804521042.db2.gz ZDCMARMIRKNDGL-NVXWUHKLSA-N 1 3 258.409 3.205 20 30 CGEDHO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@H](C)C1 ZINC001246799405 804521047 /nfs/dbraw/zinc/52/10/47/804521047.db2.gz ZDCMARMIRKNDGL-NVXWUHKLSA-N 1 3 258.409 3.205 20 30 CGEDHO C=CCCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246799405 804521051 /nfs/dbraw/zinc/52/10/51/804521051.db2.gz ZDCMARMIRKNDGL-NVXWUHKLSA-N 1 3 258.409 3.205 20 30 CGEDHO CCCCCCC[C@@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258039595 807271545 /nfs/dbraw/zinc/27/15/45/807271545.db2.gz UKPWTKIKCAMUAG-GOSISDBHSA-N 1 3 297.531 3.351 20 30 CGEDHO C=CCC[C@H](C)N1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001258724135 807572227 /nfs/dbraw/zinc/57/22/27/807572227.db2.gz OBFDECDMZWYYAH-HNNXBMFYSA-N 1 3 288.435 3.300 20 30 CGEDHO C[C@@H](Cc1cccc(C#N)c1)[N@H+](CCCN)C1CCCCC1 ZINC001171179251 808001115 /nfs/dbraw/zinc/00/11/15/808001115.db2.gz PTZQWMACQGIVOK-INIZCTEOSA-N 1 3 299.462 3.473 20 30 CGEDHO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](CCCN)C1CCCCC1 ZINC001171179251 808001120 /nfs/dbraw/zinc/00/11/20/808001120.db2.gz PTZQWMACQGIVOK-INIZCTEOSA-N 1 3 299.462 3.473 20 30 CGEDHO C=CCOc1cccc(C[NH2+]C[C@@H]2CCCN(CC)C2)c1 ZINC001199844160 811602800 /nfs/dbraw/zinc/60/28/00/811602800.db2.gz WKXRMLJHTAUIGQ-KRWDZBQOSA-N 1 3 288.435 3.073 20 30 CGEDHO C[NH+](C)CC(C)(C)CN1CCC(c2ccc(C#N)cc2)CC1 ZINC001207288764 813536383 /nfs/dbraw/zinc/53/63/83/813536383.db2.gz VEKWYAWRNPRHAB-UHFFFAOYSA-N 1 3 299.462 3.325 20 30 CGEDHO C=CCCCCCCN1CCC([NH+]2CCC2)CC1 ZINC001209438139 814036378 /nfs/dbraw/zinc/03/63/78/814036378.db2.gz HFXPJOPRHKAEAW-UHFFFAOYSA-N 1 3 250.430 3.293 20 30 CGEDHO C=CCOc1cccc(CN(CCC)C[C@H]2CC[NH2+]C2)c1 ZINC001236842196 819618080 /nfs/dbraw/zinc/61/80/80/819618080.db2.gz BSSOBZWDFMUBNB-KRWDZBQOSA-N 1 3 288.435 3.073 20 30 CGEDHO CC[C@@H](NC[C@@H]1CCC[N@H+](CC)C1)c1cccc(C#N)c1 ZINC001350636921 936997045 /nfs/dbraw/zinc/99/70/45/936997045.db2.gz UYGTWQGONUMDAQ-FUHWJXTLSA-N 1 3 285.435 3.331 20 30 CGEDHO CC[C@@H](NC[C@@H]1CCC[N@@H+](CC)C1)c1cccc(C#N)c1 ZINC001350636921 936997048 /nfs/dbraw/zinc/99/70/48/936997048.db2.gz UYGTWQGONUMDAQ-FUHWJXTLSA-N 1 3 285.435 3.331 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000591578340 346930113 /nfs/dbraw/zinc/93/01/13/346930113.db2.gz RUNYDOPQODZOSS-FUHWJXTLSA-N 1 3 283.419 3.057 20 30 CGEDHO C=CC(C)(C)CC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000623592487 349843240 /nfs/dbraw/zinc/84/32/40/349843240.db2.gz NXAGUTXBWQMJQJ-UHFFFAOYSA-N 1 3 290.451 3.319 20 30 CGEDHO C=CCOc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000623654547 349856532 /nfs/dbraw/zinc/85/65/32/349856532.db2.gz CEOLKQYWGIFPSR-QGZVFWFLSA-N 1 3 288.435 3.073 20 30 CGEDHO CN1CCC[C@@H]1CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033375 347140873 /nfs/dbraw/zinc/14/08/73/347140873.db2.gz OEHQPDXGLDEPSB-QGZVFWFLSA-N 1 3 283.419 3.011 20 30 CGEDHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc(C#N)cc1 ZINC000596649680 347497696 /nfs/dbraw/zinc/49/76/96/347497696.db2.gz FBGLWSHHYPRNLB-QAPCUYQASA-N 1 3 285.435 3.001 20 30 CGEDHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000598993882 347704775 /nfs/dbraw/zinc/70/47/75/347704775.db2.gz DNASJDGGYBNFQU-KRWDZBQOSA-N 1 3 299.462 3.309 20 30 CGEDHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1cccc(C#N)c1 ZINC000602018347 347933471 /nfs/dbraw/zinc/93/34/71/347933471.db2.gz AMNKEMXHIAXLTA-AWEZNQCLSA-N 1 3 291.398 3.055 20 30 CGEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000631216784 350993203 /nfs/dbraw/zinc/99/32/03/350993203.db2.gz APIRKEHYGCKPCT-CABCVRRESA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCCC(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631216784 350993205 /nfs/dbraw/zinc/99/32/05/350993205.db2.gz APIRKEHYGCKPCT-CABCVRRESA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCCC(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631216784 350993210 /nfs/dbraw/zinc/99/32/10/350993210.db2.gz APIRKEHYGCKPCT-CABCVRRESA-N 1 3 250.430 3.195 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](C[NH3+])C1CCCC1 ZINC000423494781 236086339 /nfs/dbraw/zinc/08/63/39/236086339.db2.gz BAHLEVQONGFPRZ-RBUKOAKNSA-N 1 3 297.446 3.433 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCCC[C@H]1C[NH3+] ZINC000519595536 375847827 /nfs/dbraw/zinc/84/78/27/375847827.db2.gz JPLXFXGNSJOMGD-WDSOQIARSA-N 1 3 297.446 3.433 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCCC[C@H]1CN ZINC000519595536 375847832 /nfs/dbraw/zinc/84/78/32/375847832.db2.gz JPLXFXGNSJOMGD-WDSOQIARSA-N 1 3 297.446 3.433 20 30 CGEDHO C=C[C@H](C)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336657272 375896818 /nfs/dbraw/zinc/89/68/18/375896818.db2.gz POFBQCSPIBXUFM-ZOBUZTSGSA-N 1 3 258.409 3.061 20 30 CGEDHO C=C[C@H](C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657272 375896822 /nfs/dbraw/zinc/89/68/22/375896822.db2.gz POFBQCSPIBXUFM-ZOBUZTSGSA-N 1 3 258.409 3.061 20 30 CGEDHO C=CCCCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000570015911 377532359 /nfs/dbraw/zinc/53/23/59/377532359.db2.gz CWLQYPCYPRAGSW-MRXNPFEDSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCCCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000570015911 377532366 /nfs/dbraw/zinc/53/23/66/377532366.db2.gz CWLQYPCYPRAGSW-MRXNPFEDSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCCCC[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000570015911 377532375 /nfs/dbraw/zinc/53/23/75/377532375.db2.gz CWLQYPCYPRAGSW-MRXNPFEDSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCCCC[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000570015911 377532378 /nfs/dbraw/zinc/53/23/78/377532378.db2.gz CWLQYPCYPRAGSW-MRXNPFEDSA-N 1 3 250.430 3.006 20 30 CGEDHO C=C(C)C[NH+]1CCC(N[C@H]2CCc3c2cccc3F)CC1 ZINC000268928855 378154671 /nfs/dbraw/zinc/15/46/71/378154671.db2.gz ZAEXAASYQQOVCU-SFHVURJKSA-N 1 3 288.410 3.443 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000595504620 378401439 /nfs/dbraw/zinc/40/14/39/378401439.db2.gz KQUOEPOKEPHGJX-QAPCUYQASA-N 1 3 283.419 3.037 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000595504620 378401449 /nfs/dbraw/zinc/40/14/49/378401449.db2.gz KQUOEPOKEPHGJX-QAPCUYQASA-N 1 3 283.419 3.037 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2cc3ccccc3n2C)CC1 ZINC000638525284 378826287 /nfs/dbraw/zinc/82/62/87/378826287.db2.gz WPPTURUBOCSZGG-UHFFFAOYSA-N 1 3 297.446 3.308 20 30 CGEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353268314 380199244 /nfs/dbraw/zinc/19/92/44/380199244.db2.gz REZNSAUSJSRTPL-JFIYKMOQSA-N 1 3 283.419 3.008 20 30 CGEDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000339095020 392949494 /nfs/dbraw/zinc/94/94/94/392949494.db2.gz DEDUBFQPBVHXED-NXOAAHMSSA-N 1 3 277.456 3.169 20 30 CGEDHO C=CCC[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000658116701 419591403 /nfs/dbraw/zinc/59/14/03/419591403.db2.gz NRSFUZIJVMODAY-GOEBONIOSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000658116701 419591409 /nfs/dbraw/zinc/59/14/09/419591409.db2.gz NRSFUZIJVMODAY-GOEBONIOSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468929 419621812 /nfs/dbraw/zinc/62/18/12/419621812.db2.gz NJPHWHXWIVSGFZ-ZMSDIMECSA-N 1 3 264.457 3.299 20 30 CGEDHO C=CCOCCCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000658210508 419661372 /nfs/dbraw/zinc/66/13/72/419661372.db2.gz SVNYBCZPLMHSAO-WMZOPIPTSA-N 1 3 294.483 3.212 20 30 CGEDHO C=CCOCCC[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000658210508 419661380 /nfs/dbraw/zinc/66/13/80/419661380.db2.gz SVNYBCZPLMHSAO-WMZOPIPTSA-N 1 3 294.483 3.212 20 30 CGEDHO N#CCCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000273125797 263013024 /nfs/dbraw/zinc/01/30/24/263013024.db2.gz ANIQZWIFQYNBRB-GUDVDZBRSA-N 1 3 297.446 3.180 20 30 CGEDHO N#CCCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000273125797 263013025 /nfs/dbraw/zinc/01/30/25/263013025.db2.gz ANIQZWIFQYNBRB-GUDVDZBRSA-N 1 3 297.446 3.180 20 30 CGEDHO N#CCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000273125797 263013026 /nfs/dbraw/zinc/01/30/26/263013026.db2.gz ANIQZWIFQYNBRB-GUDVDZBRSA-N 1 3 297.446 3.180 20 30 CGEDHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[C@H](C#N)C1 ZINC000278566021 328227464 /nfs/dbraw/zinc/22/74/64/328227464.db2.gz IVRQTLWJBBYKFS-FHWLQOOXSA-N 1 3 297.446 3.133 20 30 CGEDHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[C@H](C#N)C1 ZINC000278566021 328227465 /nfs/dbraw/zinc/22/74/65/328227465.db2.gz IVRQTLWJBBYKFS-FHWLQOOXSA-N 1 3 297.446 3.133 20 30 CGEDHO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000536995979 330375464 /nfs/dbraw/zinc/37/54/64/330375464.db2.gz XCYCIUKDRGLSTL-CVEARBPZSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@@H](C)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000536995979 330375465 /nfs/dbraw/zinc/37/54/65/330375465.db2.gz XCYCIUKDRGLSTL-CVEARBPZSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@@H](C)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000536995979 330375466 /nfs/dbraw/zinc/37/54/66/330375466.db2.gz XCYCIUKDRGLSTL-CVEARBPZSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423025200 330165861 /nfs/dbraw/zinc/16/58/61/330165861.db2.gz LBQDOMZGYVBMOZ-QWHCGFSZSA-N 1 3 261.413 3.244 20 30 CGEDHO N#CC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000423095726 330169880 /nfs/dbraw/zinc/16/98/80/330169880.db2.gz FUOSVMXTQIWWOG-NHHFINERSA-N 1 3 289.467 3.217 20 30 CGEDHO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000536995979 330375463 /nfs/dbraw/zinc/37/54/63/330375463.db2.gz XCYCIUKDRGLSTL-CVEARBPZSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CC(C)(C)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000453307393 331114266 /nfs/dbraw/zinc/11/42/66/331114266.db2.gz LBLAWCQEDZHHLY-HNNXBMFYSA-N 1 3 290.451 3.490 20 30 CGEDHO C=C(C)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309980508 333052224 /nfs/dbraw/zinc/05/22/24/333052224.db2.gz URLYCHYBZKQBOC-QZTJIDSGSA-N 1 3 270.420 3.016 20 30 CGEDHO C=C(C)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309980508 333052227 /nfs/dbraw/zinc/05/22/27/333052227.db2.gz URLYCHYBZKQBOC-QZTJIDSGSA-N 1 3 270.420 3.016 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NC1CC[NH+](C2CCCC2)CC1 ZINC000925222608 620240738 /nfs/dbraw/zinc/24/07/38/620240738.db2.gz XCODDYFGMULGMT-CQSZACIVSA-N 1 3 277.456 3.311 20 30 CGEDHO C[C@H](CC(C)(C)C#N)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000925222608 620240742 /nfs/dbraw/zinc/24/07/42/620240742.db2.gz XCODDYFGMULGMT-CQSZACIVSA-N 1 3 277.456 3.311 20 30 CGEDHO C=CCC[C@H](CC)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382173 621723630 /nfs/dbraw/zinc/72/36/30/621723630.db2.gz DAFKEXGKCIVVIC-IRXDYDNUSA-N 1 3 275.440 3.409 20 30 CGEDHO CCCCCCCC[C@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000911649978 622542475 /nfs/dbraw/zinc/54/24/75/622542475.db2.gz YYEKAUNVWLTVLN-INIZCTEOSA-N 1 3 291.439 3.162 20 30 CGEDHO C=C(Cl)COc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000817961989 632258007 /nfs/dbraw/zinc/25/80/07/632258007.db2.gz FXPMGJHTYPPOGR-AAEUAGOBSA-N 1 3 282.815 3.063 20 30 CGEDHO C#CCCCCCC[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000877643314 635128590 /nfs/dbraw/zinc/12/85/90/635128590.db2.gz GZTAQSIUSNCGDR-GOSISDBHSA-N 1 3 276.468 3.282 20 30 CGEDHO CCCCCCCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000115548867 638566648 /nfs/dbraw/zinc/56/66/48/638566648.db2.gz WIYHWGZGIZUBCR-HOTGVXAUSA-N 1 3 252.446 3.278 20 30 CGEDHO CCCCCCCCCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253404785 806214942 /nfs/dbraw/zinc/21/49/42/806214942.db2.gz HDLCADANCQILIX-HNNXBMFYSA-N 1 3 272.477 3.076 20 30 CGEDHO CCCCCCCCC[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253404785 806214947 /nfs/dbraw/zinc/21/49/47/806214947.db2.gz HDLCADANCQILIX-HNNXBMFYSA-N 1 3 272.477 3.076 20 30 CGEDHO N#C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@H]2CCN2CCCC2)C1 ZINC001254669001 806480137 /nfs/dbraw/zinc/48/01/37/806480137.db2.gz MMHBTJGUOOCTKM-IKGGRYGDSA-N 1 3 275.440 3.019 20 30 CGEDHO N#C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2CCN2CCCC2)C1 ZINC001254669001 806480141 /nfs/dbraw/zinc/48/01/41/806480141.db2.gz MMHBTJGUOOCTKM-IKGGRYGDSA-N 1 3 275.440 3.019 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@@H]1CCC[NH2+][C@@H]1C ZINC001245984872 804093133 /nfs/dbraw/zinc/09/31/33/804093133.db2.gz RQYWNSDKNCQSAM-IKGGRYGDSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CCNC[C@H]1C ZINC001245983357 804093242 /nfs/dbraw/zinc/09/32/42/804093242.db2.gz IOYPSVJQMCKXQA-SQNIBIBYSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@H]1CC[NH2+]C[C@H]1C ZINC001245983357 804093252 /nfs/dbraw/zinc/09/32/52/804093252.db2.gz IOYPSVJQMCKXQA-SQNIBIBYSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CNC[C@H]1C[NH2+]C[C@H]1C ZINC001245982083 804093592 /nfs/dbraw/zinc/09/35/92/804093592.db2.gz JXAIFKMSJBPDJQ-KZNAEPCWSA-N 1 3 298.515 3.323 20 30 CGEDHO CCCCCCCCCC[C@H](O)CNC[C@@H]1CCC[NH2+]C1 ZINC001245983741 804094024 /nfs/dbraw/zinc/09/40/24/804094024.db2.gz UOADIWSDUZBXCD-MSOLQXFVSA-N 1 3 298.515 3.467 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@@]1(C)CCCC[NH2+]C1 ZINC001245990402 804096031 /nfs/dbraw/zinc/09/60/31/804096031.db2.gz IVXZYZXEHUZTRT-ROUUACIJSA-N 1 3 298.515 3.467 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN[C@H]1CCC[C@@H]1[NH3+] ZINC001246003869 804097194 /nfs/dbraw/zinc/09/71/94/804097194.db2.gz VQFMRDWWMMLTPP-IKGGRYGDSA-N 1 3 284.488 3.348 20 30 CGEDHO CCCCCCC[C@H](CC)[NH2+]C[C@@]1(O)CCCCNC1 ZINC001246096906 804130067 /nfs/dbraw/zinc/13/00/67/804130067.db2.gz MEGPEBNYOHZBTH-DLBZAZTESA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCCCC[C@@H](C)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246142995 804164818 /nfs/dbraw/zinc/16/48/18/804164818.db2.gz DXCBISRQTBPHNZ-LVQVYYBASA-N 1 3 252.446 3.323 20 30 CGEDHO CCCCCCCC[C@@H](CC)[NH2+][C@]1(CCO)CCNC1 ZINC001246297949 804267103 /nfs/dbraw/zinc/26/71/03/804267103.db2.gz YHZXTPNIANAFQI-SJORKVTESA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCC[C@@H](C)[NH2+]C1(CCOC)CCNCC1 ZINC001246385699 804315664 /nfs/dbraw/zinc/31/56/64/804315664.db2.gz CXKUSUFSQQFWQK-MRXNPFEDSA-N 1 3 284.488 3.484 20 30 CGEDHO CCCCCCCCC[C@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246420697 804328018 /nfs/dbraw/zinc/32/80/18/804328018.db2.gz YQRPKZXZYXZAIL-HOTGVXAUSA-N 1 3 299.503 3.088 20 30 CGEDHO CCCCCCCC[C@H](CC)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246643560 804470584 /nfs/dbraw/zinc/47/05/84/804470584.db2.gz PCJNRTZLBGXOMW-ROUUACIJSA-N 1 3 295.515 3.153 20 30 CGEDHO CCCCCCCC[C@@H](CC)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246643545 804470595 /nfs/dbraw/zinc/47/05/95/804470595.db2.gz PCJNRTZLBGXOMW-MSOLQXFVSA-N 1 3 295.515 3.153 20 30 CGEDHO CN1C(C)(C)CC([NH2+]C2CCC(C#N)CC2)CC1(C)C ZINC001256959265 807016338 /nfs/dbraw/zinc/01/63/38/807016338.db2.gz WFJUOXBRUFBXRD-UHFFFAOYSA-N 1 3 277.456 3.310 20 30 CGEDHO C=C(C)CN(CC)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246855240 804564061 /nfs/dbraw/zinc/56/40/61/804564061.db2.gz XCKXELBQPKAHFX-OAHLLOKOSA-N 1 3 250.430 3.339 20 30 CGEDHO C=CC[N@@H+]([C@H]1CCN[C@H](C(C)(C)C)C1)C(C)(C)C ZINC001246921880 804602554 /nfs/dbraw/zinc/60/25/54/804602554.db2.gz TUDKCAXWCWIWKC-KBPBESRZSA-N 1 3 252.446 3.440 20 30 CGEDHO C=CC[N@H+]([C@H]1CCN[C@H](C(C)(C)C)C1)C(C)(C)C ZINC001246921880 804602557 /nfs/dbraw/zinc/60/25/57/804602557.db2.gz TUDKCAXWCWIWKC-KBPBESRZSA-N 1 3 252.446 3.440 20 30 CGEDHO C=C1C[C@@H]2CC([NH+]3CCN(c4ccncc4)CC3)C[C@H](C1)C2 ZINC001257889686 807239853 /nfs/dbraw/zinc/23/98/53/807239853.db2.gz HXGDUSSVXPCWNK-JJTKIYQPSA-N 1 3 297.446 3.339 20 30 CGEDHO C#C[C@@](C)(CC)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001258135469 807319097 /nfs/dbraw/zinc/31/90/97/807319097.db2.gz JDIBOJKXXPVFOK-IBGZPJMESA-N 1 3 284.447 3.085 20 30 CGEDHO N=C(Nc1cccc(C[NH3+])c1)c1ccc2cc(O)ccc2c1 ZINC001171185162 808003452 /nfs/dbraw/zinc/00/34/52/808003452.db2.gz SVODSDWTMWRCLT-UHFFFAOYSA-N 1 3 291.354 3.041 20 30 CGEDHO C[C@H](Cc1ccc(C#N)cc1)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001172294126 808218940 /nfs/dbraw/zinc/21/89/40/808218940.db2.gz FYDBGAKCHLMENQ-CQSZACIVSA-N 1 3 299.462 3.470 20 30 CGEDHO C[C@H]1CCN(Cc2cccc(C#N)c2Cl)CC[C@@H]1C[NH3+] ZINC001205626807 813032490 /nfs/dbraw/zinc/03/24/90/813032490.db2.gz JKBSZSLYSJVDRI-QWHCGFSZSA-N 1 3 291.826 3.018 20 30 CGEDHO C[C@H]1CCN(Cc2ccc(Cl)c(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205651645 813042996 /nfs/dbraw/zinc/04/29/96/813042996.db2.gz HVVCGQMDINWCNO-GXTWGEPZSA-N 1 3 291.826 3.018 20 30 CGEDHO C=CCCCC[N@@H+]1Cc2ccccc2C12CCNCC2 ZINC001237304868 819720532 /nfs/dbraw/zinc/72/05/32/819720532.db2.gz MUGPEYHNIIJHOS-UHFFFAOYSA-N 1 3 270.420 3.437 20 30 CGEDHO C=CCCCC[N@H+]1Cc2ccccc2C12CCNCC2 ZINC001237304868 819720539 /nfs/dbraw/zinc/72/05/39/819720539.db2.gz MUGPEYHNIIJHOS-UHFFFAOYSA-N 1 3 270.420 3.437 20 30 CGEDHO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000596059294 347378319 /nfs/dbraw/zinc/37/83/19/347378319.db2.gz OKKCIBOQIVWFHA-MRXNPFEDSA-N 1 3 277.456 3.028 20 30 CGEDHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000598995502 347705141 /nfs/dbraw/zinc/70/51/41/347705141.db2.gz ZOLNCTTYUWDKEK-KRWDZBQOSA-N 1 3 297.446 3.063 20 30 CGEDHO C[C@H](CCC#N)C[NH2+]CCCN(C)C1CCCCC1 ZINC000602501558 347970425 /nfs/dbraw/zinc/97/04/25/347970425.db2.gz HPMNGVTVCRQGBX-OAHLLOKOSA-N 1 3 265.445 3.170 20 30 CGEDHO CC[NH+](CC)CC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000614397695 348673335 /nfs/dbraw/zinc/67/33/35/348673335.db2.gz QAOCBFTUMSKMCM-UHFFFAOYSA-N 1 3 299.462 3.421 20 30 CGEDHO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635010197 351628598 /nfs/dbraw/zinc/62/85/98/351628598.db2.gz YZICHSIXEPIZFC-ZMSDIMECSA-N 1 3 260.425 3.137 20 30 CGEDHO CN(CCCC[NH+]1CCCCC1)Cc1ccc(C#N)cc1 ZINC000218780730 376190055 /nfs/dbraw/zinc/19/00/55/376190055.db2.gz DJEYEIOFCGVXBA-UHFFFAOYSA-N 1 3 285.435 3.256 20 30 CGEDHO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C1CC1 ZINC000121554507 370873115 /nfs/dbraw/zinc/87/31/15/370873115.db2.gz NIQOKNVPNJYUGS-PMPSAXMXSA-N 1 3 250.430 3.194 20 30 CGEDHO C=CCOc1ccccc1CN(C)CC1CC[NH+](C)CC1 ZINC000093088923 370108069 /nfs/dbraw/zinc/10/80/69/370108069.db2.gz KQBRXQOMDBSYRQ-UHFFFAOYSA-N 1 3 288.435 3.025 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2ccc(C)c(C)c2)CC1 ZINC000106246323 370351436 /nfs/dbraw/zinc/35/14/36/370351436.db2.gz CVBAGZBUBHRDTA-UHFFFAOYSA-N 1 3 272.436 3.434 20 30 CGEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC3CC3)CC1)CC2 ZINC000353410103 220068173 /nfs/dbraw/zinc/06/81/73/220068173.db2.gz GLGYBGZVOMEKLQ-IBGZPJMESA-N 1 3 295.430 3.010 20 30 CGEDHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442773372 373076152 /nfs/dbraw/zinc/07/61/52/373076152.db2.gz CJDCJZAXHJGYCI-YJBOKZPZSA-N 1 3 285.435 3.309 20 30 CGEDHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442773372 373076157 /nfs/dbraw/zinc/07/61/57/373076157.db2.gz CJDCJZAXHJGYCI-YJBOKZPZSA-N 1 3 285.435 3.309 20 30 CGEDHO C=C(C)CCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000509296663 375778087 /nfs/dbraw/zinc/77/80/87/375778087.db2.gz NUCJIQKIELJJQJ-KRWDZBQOSA-N 1 3 264.457 3.397 20 30 CGEDHO C=C(C)CC[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000509296663 375778095 /nfs/dbraw/zinc/77/80/95/375778095.db2.gz NUCJIQKIELJJQJ-KRWDZBQOSA-N 1 3 264.457 3.397 20 30 CGEDHO C=C(C)CC[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000509296663 375778097 /nfs/dbraw/zinc/77/80/97/375778097.db2.gz NUCJIQKIELJJQJ-KRWDZBQOSA-N 1 3 264.457 3.397 20 30 CGEDHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000248713493 377385371 /nfs/dbraw/zinc/38/53/71/377385371.db2.gz BOUUWYXAQLWJJJ-QAPCUYQASA-N 1 3 285.435 3.310 20 30 CGEDHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000248713493 377385375 /nfs/dbraw/zinc/38/53/75/377385375.db2.gz BOUUWYXAQLWJJJ-QAPCUYQASA-N 1 3 285.435 3.310 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC[C@H]1CCCCN1C ZINC000249281882 377486938 /nfs/dbraw/zinc/48/69/38/377486938.db2.gz NTXRIONJEIZIGP-CRAIPNDOSA-N 1 3 285.435 3.425 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H]1CCCCN1C ZINC000249281882 377486942 /nfs/dbraw/zinc/48/69/42/377486942.db2.gz NTXRIONJEIZIGP-CRAIPNDOSA-N 1 3 285.435 3.425 20 30 CGEDHO C=CCSCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000573943319 377598805 /nfs/dbraw/zinc/59/88/05/377598805.db2.gz DNFODWKTYNCUOS-UHFFFAOYSA-N 1 3 282.497 3.292 20 30 CGEDHO C=CCSCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000573943319 377598811 /nfs/dbraw/zinc/59/88/11/377598811.db2.gz DNFODWKTYNCUOS-UHFFFAOYSA-N 1 3 282.497 3.292 20 30 CGEDHO CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(C#N)cc1 ZINC000278631535 194077304 /nfs/dbraw/zinc/07/73/04/194077304.db2.gz GYLHVTVMYAEQLM-BZSNNMDCSA-N 1 3 285.435 3.472 20 30 CGEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1(CC#N)CC1 ZINC000376672531 379593624 /nfs/dbraw/zinc/59/36/24/379593624.db2.gz NVCUDPBQVMLAQS-WMZOPIPTSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1(CC#N)CC1 ZINC000376672531 379593633 /nfs/dbraw/zinc/59/36/33/379593633.db2.gz NVCUDPBQVMLAQS-WMZOPIPTSA-N 1 3 297.446 3.180 20 30 CGEDHO CCCC[N@H+](C)CC1CCN([C@H](C)CCC#N)CC1 ZINC000351606573 379729603 /nfs/dbraw/zinc/72/96/03/379729603.db2.gz DHPSEXWIDVFRGV-OAHLLOKOSA-N 1 3 265.445 3.123 20 30 CGEDHO CCCC[N@@H+](C)CC1CCN([C@H](C)CCC#N)CC1 ZINC000351606573 379729610 /nfs/dbraw/zinc/72/96/10/379729610.db2.gz DHPSEXWIDVFRGV-OAHLLOKOSA-N 1 3 265.445 3.123 20 30 CGEDHO C=CCCN1CCCC2(CCC[N@H+](CCC=C)C2)C1 ZINC000351980484 379750377 /nfs/dbraw/zinc/75/03/77/379750377.db2.gz COHGKBANTXXVNQ-UHFFFAOYSA-N 1 3 262.441 3.317 20 30 CGEDHO C=CCCN1CCCC2(CCC[N@@H+](CCC=C)C2)C1 ZINC000351980484 379750378 /nfs/dbraw/zinc/75/03/78/379750378.db2.gz COHGKBANTXXVNQ-UHFFFAOYSA-N 1 3 262.441 3.317 20 30 CGEDHO CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000361435821 381745848 /nfs/dbraw/zinc/74/58/48/381745848.db2.gz OGWHVVRJGAUOQS-BRWVUGGUSA-N 1 3 277.456 3.169 20 30 CGEDHO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000361435821 381745851 /nfs/dbraw/zinc/74/58/51/381745851.db2.gz OGWHVVRJGAUOQS-BRWVUGGUSA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCCCC#N)CC1 ZINC000363538564 382232279 /nfs/dbraw/zinc/23/22/79/382232279.db2.gz VXWTWBHGUOCRDU-NVXWUHKLSA-N 1 3 277.456 3.313 20 30 CGEDHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCCC#N)CC1 ZINC000363538564 382232286 /nfs/dbraw/zinc/23/22/86/382232286.db2.gz VXWTWBHGUOCRDU-NVXWUHKLSA-N 1 3 277.456 3.313 20 30 CGEDHO C=CCOc1cccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000122760926 392422782 /nfs/dbraw/zinc/42/27/82/392422782.db2.gz CQHLYUBQBPDUMW-QGZVFWFLSA-N 1 3 288.435 3.025 20 30 CGEDHO C=CCOc1cccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000122760926 392422790 /nfs/dbraw/zinc/42/27/90/392422790.db2.gz CQHLYUBQBPDUMW-QGZVFWFLSA-N 1 3 288.435 3.025 20 30 CGEDHO C[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000339078521 392945886 /nfs/dbraw/zinc/94/58/86/392945886.db2.gz DAJBXPMWTXSQOB-DSLXNQLJSA-N 1 3 297.446 3.179 20 30 CGEDHO C[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000339078521 392945889 /nfs/dbraw/zinc/94/58/89/392945889.db2.gz DAJBXPMWTXSQOB-DSLXNQLJSA-N 1 3 297.446 3.179 20 30 CGEDHO C[C@H](CCC#N)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000411740528 392986314 /nfs/dbraw/zinc/98/63/14/392986314.db2.gz CCIUJJFZDHKOLR-NEWSRXKRSA-N 1 3 297.446 3.133 20 30 CGEDHO C[C@H](CCC#N)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000411740528 392986321 /nfs/dbraw/zinc/98/63/21/392986321.db2.gz CCIUJJFZDHKOLR-NEWSRXKRSA-N 1 3 297.446 3.133 20 30 CGEDHO C[C@H]([NH2+]CCCN1CCC(C)CC1)c1cccc(C#N)c1 ZINC000037233734 173053184 /nfs/dbraw/zinc/05/31/84/173053184.db2.gz IIUSCPHTVLSQOF-INIZCTEOSA-N 1 3 285.435 3.331 20 30 CGEDHO C=CCCC1(C[NH2+][C@@H]2CCNCC[C@H]2C)CCCC1 ZINC000665236430 419086808 /nfs/dbraw/zinc/08/68/08/419086808.db2.gz MOQGRKRMICHNDI-HZPDHXFCSA-N 1 3 264.457 3.491 20 30 CGEDHO C=CC[C@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662299477 419386987 /nfs/dbraw/zinc/38/69/87/419386987.db2.gz QWHSCYRYJUWJKG-HNNXBMFYSA-N 1 3 270.420 3.120 20 30 CGEDHO C=CC[C@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662299477 419386991 /nfs/dbraw/zinc/38/69/91/419386991.db2.gz QWHSCYRYJUWJKG-HNNXBMFYSA-N 1 3 270.420 3.120 20 30 CGEDHO C=CCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000448027322 260588213 /nfs/dbraw/zinc/58/82/13/260588213.db2.gz MNBZCEJGPGBPRX-UHFFFAOYSA-N 1 3 250.430 3.339 20 30 CGEDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCCC#N ZINC000184740640 262028047 /nfs/dbraw/zinc/02/80/47/262028047.db2.gz LEJNYRIBSCNSAM-HZPDHXFCSA-N 1 3 285.435 3.036 20 30 CGEDHO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000309921173 262052971 /nfs/dbraw/zinc/05/29/71/262052971.db2.gz QXAJFUUTHMZGJI-DZOHQFGASA-N 1 3 270.420 3.061 20 30 CGEDHO C=C[C@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309921173 262052973 /nfs/dbraw/zinc/05/29/73/262052973.db2.gz QXAJFUUTHMZGJI-DZOHQFGASA-N 1 3 270.420 3.061 20 30 CGEDHO C=C[C@H](C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000309921173 262052975 /nfs/dbraw/zinc/05/29/75/262052975.db2.gz QXAJFUUTHMZGJI-DZOHQFGASA-N 1 3 270.420 3.061 20 30 CGEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414990699 263187303 /nfs/dbraw/zinc/18/73/03/263187303.db2.gz AMAKBUCPZSELGT-QILLFSRXSA-N 1 3 290.426 3.463 20 30 CGEDHO C=CCCCCC[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000193368980 333248824 /nfs/dbraw/zinc/24/88/24/333248824.db2.gz PXWWHNHRIDYZHH-INIZCTEOSA-N 1 3 252.446 3.397 20 30 CGEDHO C=CCCCCCN1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000193368980 333248820 /nfs/dbraw/zinc/24/88/20/333248820.db2.gz PXWWHNHRIDYZHH-INIZCTEOSA-N 1 3 252.446 3.397 20 30 CGEDHO C=CCCCCCN1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000193368980 333248822 /nfs/dbraw/zinc/24/88/22/333248822.db2.gz PXWWHNHRIDYZHH-INIZCTEOSA-N 1 3 252.446 3.397 20 30 CGEDHO C=CCCCCC[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000193368980 333248823 /nfs/dbraw/zinc/24/88/23/333248823.db2.gz PXWWHNHRIDYZHH-INIZCTEOSA-N 1 3 252.446 3.397 20 30 CGEDHO CC(C)(CCC#N)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925670835 619123041 /nfs/dbraw/zinc/12/30/41/619123041.db2.gz AAMLJNKYEGUGGG-CVEARBPZSA-N 1 3 277.456 3.074 20 30 CGEDHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000902742161 621421954 /nfs/dbraw/zinc/42/19/54/621421954.db2.gz KZFIZTWRVZQUJA-MAUKXSAKSA-N 1 3 283.419 3.083 20 30 CGEDHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000902742161 621421961 /nfs/dbraw/zinc/42/19/61/621421961.db2.gz KZFIZTWRVZQUJA-MAUKXSAKSA-N 1 3 283.419 3.083 20 30 CGEDHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(C#N)c1 ZINC000903069454 621568171 /nfs/dbraw/zinc/56/81/71/621568171.db2.gz HDLUJGQSJYCCSS-WMZOPIPTSA-N 1 3 285.435 3.331 20 30 CGEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000817965166 632260321 /nfs/dbraw/zinc/26/03/21/632260321.db2.gz QMHDFGCIGCTPTK-ZDUSSCGKSA-N 1 3 294.826 3.350 20 30 CGEDHO C#CCCCCCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000876779681 634897877 /nfs/dbraw/zinc/89/78/77/634897877.db2.gz BLGCQGASYGZDSQ-SFHVURJKSA-N 1 3 276.468 3.234 20 30 CGEDHO C#CCCCCCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000876779681 634897880 /nfs/dbraw/zinc/89/78/80/634897880.db2.gz BLGCQGASYGZDSQ-SFHVURJKSA-N 1 3 276.468 3.234 20 30 CGEDHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000850172738 636972398 /nfs/dbraw/zinc/97/23/98/636972398.db2.gz DEIZCQZLPIMLAJ-MSOLQXFVSA-N 1 3 297.446 3.204 20 30 CGEDHO C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccc(C#N)c1 ZINC000925622448 638547626 /nfs/dbraw/zinc/54/76/26/638547626.db2.gz LFRWMRSNDIIVIU-RCBQFDQVSA-N 1 3 271.408 3.115 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NCC(C)(C)C[NH+]1CCCC1 ZINC000926276036 638757817 /nfs/dbraw/zinc/75/78/17/638757817.db2.gz SPJHLCFRYXNIGV-AWEZNQCLSA-N 1 3 265.445 3.026 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(C)CN1CCCC1 ZINC000926276036 638757820 /nfs/dbraw/zinc/75/78/20/638757820.db2.gz SPJHLCFRYXNIGV-AWEZNQCLSA-N 1 3 265.445 3.026 20 30 CGEDHO CCCCCCCC[N@H+](CCN)C1CCN(C2CC2)CC1 ZINC001256069842 806811636 /nfs/dbraw/zinc/81/16/36/806811636.db2.gz MWFJZGBIKDQNKN-UHFFFAOYSA-N 1 3 295.515 3.234 20 30 CGEDHO CCCCCCCC[N@@H+](CCN)C1CCN(C2CC2)CC1 ZINC001256069842 806811644 /nfs/dbraw/zinc/81/16/44/806811644.db2.gz MWFJZGBIKDQNKN-UHFFFAOYSA-N 1 3 295.515 3.234 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CCNC[C@@H]1C ZINC001245983354 804093858 /nfs/dbraw/zinc/09/38/58/804093858.db2.gz IOYPSVJQMCKXQA-BZSNNMDCSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@H]1CC[NH2+]C[C@@H]1C ZINC001245983354 804093869 /nfs/dbraw/zinc/09/38/69/804093869.db2.gz IOYPSVJQMCKXQA-BZSNNMDCSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCCCCCC[C@H](O)C[NH2+]CC1(N)CCCCC1 ZINC001245991752 804094784 /nfs/dbraw/zinc/09/47/84/804094784.db2.gz HANQEZOYVBMIDL-INIZCTEOSA-N 1 3 284.488 3.349 20 30 CGEDHO CCCCCCCC[C@H](O)CNCC1([NH3+])CCCCC1 ZINC001245991752 804094794 /nfs/dbraw/zinc/09/47/94/804094794.db2.gz HANQEZOYVBMIDL-INIZCTEOSA-N 1 3 284.488 3.349 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@H]1C[C@@](C)([NH3+])C1 ZINC001246010020 804096876 /nfs/dbraw/zinc/09/68/76/804096876.db2.gz LPSMPBSHLOIZQX-YESZJQIVSA-N 1 3 284.488 3.348 20 30 CGEDHO CCCCCCCC[C@H](O)C[NH2+]C1(CC)CCNCC1 ZINC001246009495 804098393 /nfs/dbraw/zinc/09/83/93/804098393.db2.gz XUXLFIJMINIKDW-INIZCTEOSA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCCC[C@@H](O)CNCC[C@@H]1CCCC[NH2+]1 ZINC001246002186 804098687 /nfs/dbraw/zinc/09/86/87/804098687.db2.gz NNEBZCNNPDBNJF-DLBZAZTESA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCC[C@@H](CCC)[NH2+][C@H]1COCCC12CNC2 ZINC001246138760 804161890 /nfs/dbraw/zinc/16/18/90/804161890.db2.gz OJJWGJNTSYFFPH-SJORKVTESA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCC[C@@H](CCC)N[C@H]1COCCC12C[NH2+]C2 ZINC001246138760 804161894 /nfs/dbraw/zinc/16/18/94/804161894.db2.gz OJJWGJNTSYFFPH-SJORKVTESA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCC[C@@H](CCC)[NH2+][C@H]1CC12CNC2 ZINC001246443925 804334363 /nfs/dbraw/zinc/33/43/63/804334363.db2.gz IOXDPLOXAXYLNK-CABCVRRESA-N 1 3 252.446 3.467 20 30 CGEDHO C[C@@H]1CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1N ZINC001246572415 804418696 /nfs/dbraw/zinc/41/86/96/804418696.db2.gz XDTXFLKSLOOIMQ-IZIZEDOESA-N 1 3 297.446 3.060 20 30 CGEDHO C[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1N ZINC001246572415 804418700 /nfs/dbraw/zinc/41/87/00/804418700.db2.gz XDTXFLKSLOOIMQ-IZIZEDOESA-N 1 3 297.446 3.060 20 30 CGEDHO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2CNCC[C@H]21 ZINC001246675001 804490474 /nfs/dbraw/zinc/49/04/74/804490474.db2.gz QGRBMIPRRDJXIS-HRCADAONSA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2CNCC[C@H]21 ZINC001246675001 804490478 /nfs/dbraw/zinc/49/04/78/804490478.db2.gz QGRBMIPRRDJXIS-HRCADAONSA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@H](CC)N1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246675001 804490482 /nfs/dbraw/zinc/49/04/82/804490482.db2.gz QGRBMIPRRDJXIS-HRCADAONSA-N 1 3 252.446 3.419 20 30 CGEDHO N#Cc1cccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246797880 804519548 /nfs/dbraw/zinc/51/95/48/804519548.db2.gz PWJFCDYDFFDMQD-DFNIBXOVSA-N 1 3 295.430 3.021 20 30 CGEDHO C=CC[N@@H+]([C@@H]1CCN[C@H](C(C)(C)C)C1)C(C)(C)C ZINC001246921883 804602697 /nfs/dbraw/zinc/60/26/97/804602697.db2.gz TUDKCAXWCWIWKC-KGLIPLIRSA-N 1 3 252.446 3.440 20 30 CGEDHO C=CC[N@H+]([C@@H]1CCN[C@H](C(C)(C)C)C1)C(C)(C)C ZINC001246921883 804602699 /nfs/dbraw/zinc/60/26/99/804602699.db2.gz TUDKCAXWCWIWKC-KGLIPLIRSA-N 1 3 252.446 3.440 20 30 CGEDHO C=CC[N@H+](C1CCCCC1)[C@@H]1CCNC2(CCC2)C1 ZINC001246948767 804616602 /nfs/dbraw/zinc/61/66/02/804616602.db2.gz LKBMUTOJGXGMBL-MRXNPFEDSA-N 1 3 262.441 3.482 20 30 CGEDHO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCNC2(CCC2)C1 ZINC001246948767 804616606 /nfs/dbraw/zinc/61/66/06/804616606.db2.gz LKBMUTOJGXGMBL-MRXNPFEDSA-N 1 3 262.441 3.482 20 30 CGEDHO C=CCC[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001258721287 807570101 /nfs/dbraw/zinc/57/01/01/807570101.db2.gz RGLVGWUKLPQPFA-AWEZNQCLSA-N 1 3 250.430 3.338 20 30 CGEDHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(C#N)cc1 ZINC001172100968 808172798 /nfs/dbraw/zinc/17/27/98/808172798.db2.gz VHHAQOCDEMATES-PILAGYSTSA-N 1 3 283.419 3.224 20 30 CGEDHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(C#N)cc1 ZINC001172100968 808172800 /nfs/dbraw/zinc/17/28/00/808172800.db2.gz VHHAQOCDEMATES-PILAGYSTSA-N 1 3 283.419 3.224 20 30 CGEDHO C[C@H](CCCC#N)[N@@H+](CCCN)C1CCCCC1 ZINC001172481552 808344473 /nfs/dbraw/zinc/34/44/73/808344473.db2.gz WBBSUUVQLYVHEA-CQSZACIVSA-N 1 3 251.418 3.052 20 30 CGEDHO C[C@H](CCCC#N)[N@H+](CCCN)C1CCCCC1 ZINC001172481552 808344471 /nfs/dbraw/zinc/34/44/71/808344471.db2.gz WBBSUUVQLYVHEA-CQSZACIVSA-N 1 3 251.418 3.052 20 30 CGEDHO C[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)CC[C@H]1C[NH3+] ZINC001205652951 813041315 /nfs/dbraw/zinc/04/13/15/813041315.db2.gz RMHNTGSUWKQNKK-DOMZBBRYSA-N 1 3 291.826 3.018 20 30 CGEDHO CCCCCCC/C=C/CN1CCCC[C@](O)(C[NH3+])C1 ZINC001205665704 813047261 /nfs/dbraw/zinc/04/72/61/813047261.db2.gz UAXBBGZNQBBLBF-VMSUTVGLSA-N 1 3 282.472 3.079 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[NH+]2C[C@H]3CN(CC)C[C@@H]3C2)CC1 ZINC001208179054 813730435 /nfs/dbraw/zinc/73/04/35/813730435.db2.gz KNFKDEDWJVVMNY-KZNAEPCWSA-N 1 3 274.452 3.173 20 30 CGEDHO CC(C)[NH+]1CCC(CN(C)Cc2ccc(C#N)s2)CC1 ZINC001232844322 818454756 /nfs/dbraw/zinc/45/47/56/818454756.db2.gz ZCYVYTCOUGNIFU-UHFFFAOYSA-N 1 3 291.464 3.172 20 30 CGEDHO C=CCCCCCCCCC[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235283997 819060492 /nfs/dbraw/zinc/06/04/92/819060492.db2.gz SGKBFJIJRMITCE-MUJYYYPQSA-N 1 3 250.430 3.182 20 30 CGEDHO C=CCCCCCCCCC[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235283997 819060505 /nfs/dbraw/zinc/06/05/05/819060505.db2.gz SGKBFJIJRMITCE-MUJYYYPQSA-N 1 3 250.430 3.182 20 30 CGEDHO CCCCCCCCC[N@H+](CCOC)C1CCNCC1 ZINC001235947121 819236545 /nfs/dbraw/zinc/23/65/45/819236545.db2.gz WLHWBZQBSIWXSH-UHFFFAOYSA-N 1 3 284.488 3.437 20 30 CGEDHO CCCCCCCCC[N@@H+](CCOC)C1CCNCC1 ZINC001235947121 819236551 /nfs/dbraw/zinc/23/65/51/819236551.db2.gz WLHWBZQBSIWXSH-UHFFFAOYSA-N 1 3 284.488 3.437 20 30 CGEDHO CCCCCCCCCN(CCOC)C1CC[NH2+]CC1 ZINC001235947121 819236556 /nfs/dbraw/zinc/23/65/56/819236556.db2.gz WLHWBZQBSIWXSH-UHFFFAOYSA-N 1 3 284.488 3.437 20 30 CGEDHO C=CCCCCCCC[N@@H+](C)C[C@H]1CCCNC1 ZINC001235950343 819239959 /nfs/dbraw/zinc/23/99/59/819239959.db2.gz BIRYUNWXWIPHOE-INIZCTEOSA-N 1 3 252.446 3.444 20 30 CGEDHO C=CCCCCCCC[N@H+](C)C[C@H]1CCCNC1 ZINC001235950343 819239968 /nfs/dbraw/zinc/23/99/68/819239968.db2.gz BIRYUNWXWIPHOE-INIZCTEOSA-N 1 3 252.446 3.444 20 30 CGEDHO CC[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925409 933958766 /nfs/dbraw/zinc/95/87/66/933958766.db2.gz MJVWCPKIUIRUPD-LPHOPBHVSA-N 1 3 297.446 3.257 20 30 CGEDHO CC[N@H+]1CCC[C@@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925409 933958773 /nfs/dbraw/zinc/95/87/73/933958773.db2.gz MJVWCPKIUIRUPD-LPHOPBHVSA-N 1 3 297.446 3.257 20 30 CGEDHO C[C@@H]1CCCN(CCC2(C#N)CCCCC2)[C@H]1CC[NH3+] ZINC001576709856 962487634 /nfs/dbraw/zinc/48/76/34/962487634.db2.gz WOQJXEFEQRETBP-CVEARBPZSA-N 1 3 277.456 3.300 20 30 CGEDHO C[C@@H]1CCC[N@H+](CCC2(C#N)CCCCC2)[C@H]1CCN ZINC001576709856 962487643 /nfs/dbraw/zinc/48/76/43/962487643.db2.gz WOQJXEFEQRETBP-CVEARBPZSA-N 1 3 277.456 3.300 20 30 CGEDHO C[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@H]1CCN ZINC001576709856 962487655 /nfs/dbraw/zinc/48/76/55/962487655.db2.gz WOQJXEFEQRETBP-CVEARBPZSA-N 1 3 277.456 3.300 20 30 CGEDHO N#C[C@@H]1CC[C@@H](N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000590153398 346832602 /nfs/dbraw/zinc/83/26/02/346832602.db2.gz GJCPHSQPDOBZDA-QZTJIDSGSA-N 1 3 289.467 3.267 20 30 CGEDHO N#CCCC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000594584534 347196344 /nfs/dbraw/zinc/19/63/44/347196344.db2.gz TVZFUTAQRREBRQ-ZACQAIPSSA-N 1 3 271.408 3.281 20 30 CGEDHO C=CCCSCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000596650168 347498568 /nfs/dbraw/zinc/49/85/68/347498568.db2.gz INMLMRDHRWBUTF-ARFHVFGLSA-N 1 3 282.497 3.196 20 30 CGEDHO CCCC[N@H+](C)CC1CCN(CC2(CC#N)CC2)CC1 ZINC000602764763 348025692 /nfs/dbraw/zinc/02/56/92/348025692.db2.gz IUQTTXWEOMSMGM-UHFFFAOYSA-N 1 3 277.456 3.124 20 30 CGEDHO CCCC[N@@H+](C)CC1CCN(CC2(CC#N)CC2)CC1 ZINC000602764763 348025695 /nfs/dbraw/zinc/02/56/95/348025695.db2.gz IUQTTXWEOMSMGM-UHFFFAOYSA-N 1 3 277.456 3.124 20 30 CGEDHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000423289458 236025703 /nfs/dbraw/zinc/02/57/03/236025703.db2.gz AWYRTXQHPGDVBP-ZIAGYGMSSA-N 1 3 279.387 3.429 20 30 CGEDHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000037150322 369069886 /nfs/dbraw/zinc/06/98/86/369069886.db2.gz SMHZPKFINXJNGA-HNNXBMFYSA-N 1 3 285.435 3.473 20 30 CGEDHO C[N@@H+]1CCC[C@H]1CCN[C@H](CCCC#N)c1ccccc1 ZINC000433023412 372577497 /nfs/dbraw/zinc/57/74/97/372577497.db2.gz PRNXVXSLVZXYQU-ZWKOTPCHSA-N 1 3 285.435 3.495 20 30 CGEDHO C[N@H+]1CCC[C@H]1CCN[C@H](CCCC#N)c1ccccc1 ZINC000433023412 372577503 /nfs/dbraw/zinc/57/75/03/372577503.db2.gz PRNXVXSLVZXYQU-ZWKOTPCHSA-N 1 3 285.435 3.495 20 30 CGEDHO CN1CCC[C@H]1CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433023412 372577510 /nfs/dbraw/zinc/57/75/10/372577510.db2.gz PRNXVXSLVZXYQU-ZWKOTPCHSA-N 1 3 285.435 3.495 20 30 CGEDHO C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCN1 ZINC000335539300 375328312 /nfs/dbraw/zinc/32/83/12/375328312.db2.gz SKVQSKIGVKKYNK-BARLLCKDSA-N 1 3 297.446 3.121 20 30 CGEDHO C=C(C)CC[NH2+][C@H]1CCCC[C@@H]1CN(CC)CC ZINC000509120997 375772388 /nfs/dbraw/zinc/77/23/88/375772388.db2.gz HOBGTPNUFBXLMT-CVEARBPZSA-N 1 3 252.446 3.443 20 30 CGEDHO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000538147712 376223063 /nfs/dbraw/zinc/22/30/63/376223063.db2.gz LCENPBOACRUSPU-HZPDHXFCSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@@H](C)[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000538147712 376223070 /nfs/dbraw/zinc/22/30/70/376223070.db2.gz LCENPBOACRUSPU-HZPDHXFCSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@@H](C)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000538147712 376223076 /nfs/dbraw/zinc/22/30/76/376223076.db2.gz LCENPBOACRUSPU-HZPDHXFCSA-N 1 3 252.446 3.395 20 30 CGEDHO C=C(C)C[NH+]1CCC(N[C@H]2CCc3ccc(F)cc32)CC1 ZINC000153002349 542109926 /nfs/dbraw/zinc/10/99/26/542109926.db2.gz ODGQYKQIVNFSFU-SFHVURJKSA-N 1 3 288.410 3.443 20 30 CGEDHO C=CCC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)C1CC1 ZINC000245967432 376946684 /nfs/dbraw/zinc/94/66/84/376946684.db2.gz USRMPAAPLPQQIB-NVXWUHKLSA-N 1 3 264.457 3.441 20 30 CGEDHO N#Cc1cccc(CN[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000579716526 378186495 /nfs/dbraw/zinc/18/64/95/378186495.db2.gz PGWATTQWRNYEPK-SFHVURJKSA-N 1 3 279.387 3.128 20 30 CGEDHO N#CCCCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285531084 263093999 /nfs/dbraw/zinc/09/39/99/263093999.db2.gz KWTAVLXRMRQZFG-LJQANCHMSA-N 1 3 297.446 3.278 20 30 CGEDHO N#CCCCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285531084 263094000 /nfs/dbraw/zinc/09/40/00/263094000.db2.gz KWTAVLXRMRQZFG-LJQANCHMSA-N 1 3 297.446 3.278 20 30 CGEDHO CC(C)(C#N)CCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174876694 329164427 /nfs/dbraw/zinc/16/44/27/329164427.db2.gz FRIJQLVMDOSXDT-INIZCTEOSA-N 1 3 277.456 3.124 20 30 CGEDHO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000174876694 329164429 /nfs/dbraw/zinc/16/44/29/329164429.db2.gz FRIJQLVMDOSXDT-INIZCTEOSA-N 1 3 277.456 3.124 20 30 CGEDHO CC(C)(C#N)CCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000174876694 329164430 /nfs/dbraw/zinc/16/44/30/329164430.db2.gz FRIJQLVMDOSXDT-INIZCTEOSA-N 1 3 277.456 3.124 20 30 CGEDHO CSc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1C#N ZINC000925773643 619235042 /nfs/dbraw/zinc/23/50/42/619235042.db2.gz NXIYEKJMNWKJQF-HUUCEWRRSA-N 1 3 289.448 3.030 20 30 CGEDHO CC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccc(C#N)c1 ZINC000902832006 621466987 /nfs/dbraw/zinc/46/69/87/621466987.db2.gz HXHOMAZBBYGVDR-KSZLIROESA-N 1 3 285.435 3.472 20 30 CGEDHO C=CC[C@H](C)[C@H](C)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382756 621723932 /nfs/dbraw/zinc/72/39/32/621723932.db2.gz HRWSWBGGYMREET-YQQAZPJKSA-N 1 3 275.440 3.265 20 30 CGEDHO C[C@H]1CCC[N@H+](CCCCC2(C#N)CCC2)[C@@H]1CCN ZINC000903768415 621803652 /nfs/dbraw/zinc/80/36/52/621803652.db2.gz MTELAROYOXWROM-JKSUJKDBSA-N 1 3 277.456 3.300 20 30 CGEDHO C[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@@H]1CCN ZINC000903768415 621803655 /nfs/dbraw/zinc/80/36/55/621803655.db2.gz MTELAROYOXWROM-JKSUJKDBSA-N 1 3 277.456 3.300 20 30 CGEDHO C=C(Cl)COc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000817961991 632257456 /nfs/dbraw/zinc/25/74/56/632257456.db2.gz FXPMGJHTYPPOGR-WCQYABFASA-N 1 3 282.815 3.063 20 30 CGEDHO C=CCCCCN1CCC(CC)([NH+]2CCC2)CC1 ZINC000886717462 637669131 /nfs/dbraw/zinc/66/91/31/637669131.db2.gz ANXQPJPCSZHQIP-UHFFFAOYSA-N 1 3 250.430 3.293 20 30 CGEDHO C=CCCCC[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000886717462 637669139 /nfs/dbraw/zinc/66/91/39/637669139.db2.gz ANXQPJPCSZHQIP-UHFFFAOYSA-N 1 3 250.430 3.293 20 30 CGEDHO C=CCSCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000925350209 638495049 /nfs/dbraw/zinc/49/50/49/638495049.db2.gz FMUACNHTUAWBIS-UHFFFAOYSA-N 1 3 270.486 3.006 20 30 CGEDHO C=CCSCCNC1CC[NH+](CCC(C)C)CC1 ZINC000925350209 638495050 /nfs/dbraw/zinc/49/50/50/638495050.db2.gz FMUACNHTUAWBIS-UHFFFAOYSA-N 1 3 270.486 3.006 20 30 CGEDHO C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000925612142 638545224 /nfs/dbraw/zinc/54/52/24/638545224.db2.gz JGTCIEBCNSOJBI-RCBQFDQVSA-N 1 3 271.408 3.115 20 30 CGEDHO C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccc(C#N)c1 ZINC000925622439 638547970 /nfs/dbraw/zinc/54/79/70/638547970.db2.gz LFRWMRSNDIIVIU-APHBMKBZSA-N 1 3 271.408 3.115 20 30 CGEDHO C=CCCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925639446 638553181 /nfs/dbraw/zinc/55/31/81/638553181.db2.gz BUVOMVOEAAPXGF-HOTGVXAUSA-N 1 3 250.430 3.101 20 30 CGEDHO N#CCCC[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925678518 638566885 /nfs/dbraw/zinc/56/68/85/638566885.db2.gz VKCGFQXCXXVZRY-YESZJQIVSA-N 1 3 283.419 3.281 20 30 CGEDHO C#CCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248403276 640755271 /nfs/dbraw/zinc/75/52/71/640755271.db2.gz OIRASKUVTRMHJL-VAMGGRTRSA-N 1 3 296.458 3.290 20 30 CGEDHO CCCCCCCCCC[C@@H](O)C[NH2+]C1CCNCC1 ZINC001245976613 804092529 /nfs/dbraw/zinc/09/25/29/804092529.db2.gz VFUMWADUBSBXQL-QGZVFWFLSA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CNC1CC[NH2+]CC1 ZINC001245976613 804092540 /nfs/dbraw/zinc/09/25/40/804092540.db2.gz VFUMWADUBSBXQL-QGZVFWFLSA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCC[C@@H](C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246153244 804171286 /nfs/dbraw/zinc/17/12/86/804171286.db2.gz RJDKJPUZNOSGFS-KURKYZTESA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCCC[C@H](CCC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246585615 804430195 /nfs/dbraw/zinc/43/01/95/804430195.db2.gz PLDZYPBBHQEXBQ-ULQDDVLXSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCCC[C@H](CCC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246585615 804430192 /nfs/dbraw/zinc/43/01/92/804430192.db2.gz PLDZYPBBHQEXBQ-ULQDDVLXSA-N 1 3 284.488 3.157 20 30 CGEDHO N#CC1CCC([N@H+](CCCN)C2CCCCC2)CC1 ZINC001256953850 807015079 /nfs/dbraw/zinc/01/50/79/807015079.db2.gz PPJFIBZXFYINGN-UHFFFAOYSA-N 1 3 263.429 3.052 20 30 CGEDHO N#CC1CCC([N@@H+](CCCN)C2CCCCC2)CC1 ZINC001256953850 807015083 /nfs/dbraw/zinc/01/50/83/807015083.db2.gz PPJFIBZXFYINGN-UHFFFAOYSA-N 1 3 263.429 3.052 20 30 CGEDHO CC[C@@H]1C[C@@H](N2CCC(C#Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246924232 804603812 /nfs/dbraw/zinc/60/38/12/804603812.db2.gz QJUIIQUIDFUACD-UXHICEINSA-N 1 3 296.458 3.281 20 30 CGEDHO CC[C@H]1C[C@H](N2CCC(C#Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246924234 804603969 /nfs/dbraw/zinc/60/39/69/804603969.db2.gz QJUIIQUIDFUACD-VQTJNVASSA-N 1 3 296.458 3.281 20 30 CGEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCN1CCC(C)CC1 ZINC001172290256 808216423 /nfs/dbraw/zinc/21/64/23/808216423.db2.gz NTGSANNZZMZFEB-QGZVFWFLSA-N 1 3 299.462 3.201 20 30 CGEDHO CC1(C)CC(N)CC(C)(C)[NH+]1C1CCC(CC#N)CC1 ZINC001173327897 808614573 /nfs/dbraw/zinc/61/45/73/808614573.db2.gz KBUNIOXDSIGNNR-UHFFFAOYSA-N 1 3 277.456 3.439 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206153949 813217180 /nfs/dbraw/zinc/21/71/80/813217180.db2.gz FNGKDBVONFWEIE-PMPSAXMXSA-N 1 3 266.404 3.050 20 30 CGEDHO C=CCCC[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001209162257 813953718 /nfs/dbraw/zinc/95/37/18/813953718.db2.gz WGJIZPCNQJKIPE-MRXNPFEDSA-N 1 3 250.430 3.293 20 30 CGEDHO C=CCCC[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001209162257 813953721 /nfs/dbraw/zinc/95/37/21/813953721.db2.gz WGJIZPCNQJKIPE-MRXNPFEDSA-N 1 3 250.430 3.293 20 30 CGEDHO C=CCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235361952 819077850 /nfs/dbraw/zinc/07/78/50/819077850.db2.gz GHODINQNMZATQV-OALUTQOASA-N 1 3 284.447 3.206 20 30 CGEDHO C=CCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235361952 819077856 /nfs/dbraw/zinc/07/78/56/819077856.db2.gz GHODINQNMZATQV-OALUTQOASA-N 1 3 284.447 3.206 20 30 CGEDHO C=CCOc1ccc(CN(CCC)C[C@H]2CC[NH2+]C2)cc1 ZINC001236836199 819614617 /nfs/dbraw/zinc/61/46/17/819614617.db2.gz SUXDUVBNJPAIDS-KRWDZBQOSA-N 1 3 288.435 3.073 20 30 CGEDHO C=CCC[N@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001460624392 937536703 /nfs/dbraw/zinc/53/67/03/937536703.db2.gz BRHYQWGQVXIIGQ-MRXNPFEDSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCC[N@@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001460624392 937536704 /nfs/dbraw/zinc/53/67/04/937536704.db2.gz BRHYQWGQVXIIGQ-MRXNPFEDSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001561052831 938292317 /nfs/dbraw/zinc/29/23/17/938292317.db2.gz MEJFWDXIOJTADE-VVLHAWIVSA-N 1 3 264.457 3.441 20 30 CGEDHO CCC(N)(CC)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591577701 346930160 /nfs/dbraw/zinc/93/01/60/346930160.db2.gz HQRJYXRAESWJLI-INIZCTEOSA-N 1 3 271.408 3.043 20 30 CGEDHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000593323962 347063239 /nfs/dbraw/zinc/06/32/39/347063239.db2.gz UOWWLFMLHFUDDN-CYBMUJFWSA-N 1 3 297.377 3.268 20 30 CGEDHO C=CCCSCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000596649743 347498550 /nfs/dbraw/zinc/49/85/50/347498550.db2.gz GNHNKLJXSHJQHC-GJZGRUSLSA-N 1 3 262.422 3.030 20 30 CGEDHO C=CCCSCC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000596649745 347498736 /nfs/dbraw/zinc/49/87/36/347498736.db2.gz GNHNKLJXSHJQHC-LSDHHAIUSA-N 1 3 262.422 3.030 20 30 CGEDHO C[C@@H](CCC#N)C[NH2+]CCCN(C)C1CCCCC1 ZINC000602501556 347970456 /nfs/dbraw/zinc/97/04/56/347970456.db2.gz HPMNGVTVCRQGBX-HNNXBMFYSA-N 1 3 265.445 3.170 20 30 CGEDHO CCCN1CC[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391532 348444512 /nfs/dbraw/zinc/44/45/12/348444512.db2.gz MZYBNJJLHSKAQM-LPHOPBHVSA-N 1 3 297.446 3.257 20 30 CGEDHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442637382 373060871 /nfs/dbraw/zinc/06/08/71/373060871.db2.gz OUUPDSSCAKGABH-MAUKXSAKSA-N 1 3 285.435 3.310 20 30 CGEDHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442722177 373069430 /nfs/dbraw/zinc/06/94/30/373069430.db2.gz UYIPXNPJSBMNLQ-QAPCUYQASA-N 1 3 285.435 3.309 20 30 CGEDHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442722177 373069435 /nfs/dbraw/zinc/06/94/35/373069435.db2.gz UYIPXNPJSBMNLQ-QAPCUYQASA-N 1 3 285.435 3.309 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCN(CCC)C1 ZINC000449094153 373661630 /nfs/dbraw/zinc/66/16/30/373661630.db2.gz QNCGACHJULKSGN-HOTGVXAUSA-N 1 3 252.446 3.443 20 30 CGEDHO N#CC1(c2ccccc2)CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000335498682 375323450 /nfs/dbraw/zinc/32/34/50/375323450.db2.gz SRJMVCUHWTXUQX-JLAWEPINSA-N 1 3 297.446 3.122 20 30 CGEDHO C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCN1 ZINC000335539303 375328477 /nfs/dbraw/zinc/32/84/77/375328477.db2.gz SKVQSKIGVKKYNK-ZTRSQXPZSA-N 1 3 297.446 3.121 20 30 CGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCCC#N ZINC000248397134 377306078 /nfs/dbraw/zinc/30/60/78/377306078.db2.gz LEJNYRIBSCNSAM-VQFNDLOPSA-N 1 3 285.435 3.036 20 30 CGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCCC#N ZINC000248397134 377306089 /nfs/dbraw/zinc/30/60/89/377306089.db2.gz LEJNYRIBSCNSAM-VQFNDLOPSA-N 1 3 285.435 3.036 20 30 CGEDHO CC[N@H+](CCC1CCN(CCCC#N)CC1)CC(C)C ZINC000358742736 381326366 /nfs/dbraw/zinc/32/63/66/381326366.db2.gz ZGMYKOWSGSIIDS-UHFFFAOYSA-N 1 3 279.472 3.370 20 30 CGEDHO CC[N@@H+](CCC1CCN(CCCC#N)CC1)CC(C)C ZINC000358742736 381326370 /nfs/dbraw/zinc/32/63/70/381326370.db2.gz ZGMYKOWSGSIIDS-UHFFFAOYSA-N 1 3 279.472 3.370 20 30 CGEDHO CCCCCCCCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000364248952 382267580 /nfs/dbraw/zinc/26/75/80/382267580.db2.gz BAUOZVNRHBOAKJ-GOSISDBHSA-N 1 3 295.515 3.059 20 30 CGEDHO CCCCCCCCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000364248952 382267584 /nfs/dbraw/zinc/26/75/84/382267584.db2.gz BAUOZVNRHBOAKJ-GOSISDBHSA-N 1 3 295.515 3.059 20 30 CGEDHO CCCCCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374418934 392677968 /nfs/dbraw/zinc/67/79/68/392677968.db2.gz FUHIYJNCYBDKSF-BRWVUGGUSA-N 1 3 282.472 3.140 20 30 CGEDHO C[C@H](CCC#N)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000411740527 392986475 /nfs/dbraw/zinc/98/64/75/392986475.db2.gz CCIUJJFZDHKOLR-BHIYHBOVSA-N 1 3 297.446 3.133 20 30 CGEDHO C[C@H](CCC#N)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000411740527 392986483 /nfs/dbraw/zinc/98/64/83/392986483.db2.gz CCIUJJFZDHKOLR-BHIYHBOVSA-N 1 3 297.446 3.133 20 30 CGEDHO C=CCC1(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CCCC1 ZINC000449605123 393918276 /nfs/dbraw/zinc/91/82/76/393918276.db2.gz MCFMXMKHHMCURA-CVEARBPZSA-N 1 3 262.441 3.339 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000663344311 419566414 /nfs/dbraw/zinc/56/64/14/419566414.db2.gz RENBEGQOTPATSM-NXHRZFHOSA-N 1 3 276.468 3.443 20 30 CGEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466065 419615073 /nfs/dbraw/zinc/61/50/73/419615073.db2.gz NRBPFYFNQKIVAV-ZBFHGGJFSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CCOCCC[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000658210923 419660082 /nfs/dbraw/zinc/66/00/82/419660082.db2.gz YTCZOQDZPPERQA-FUHWJXTLSA-N 1 3 294.483 3.212 20 30 CGEDHO C=CCOCCCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000658210923 419660083 /nfs/dbraw/zinc/66/00/83/419660083.db2.gz YTCZOQDZPPERQA-FUHWJXTLSA-N 1 3 294.483 3.212 20 30 CGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NCCCC#N ZINC000184740599 262027665 /nfs/dbraw/zinc/02/76/65/262027665.db2.gz LEJNYRIBSCNSAM-BYICEURKSA-N 1 3 285.435 3.036 20 30 CGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NCCCC#N ZINC000184740599 262027668 /nfs/dbraw/zinc/02/76/68/262027668.db2.gz LEJNYRIBSCNSAM-BYICEURKSA-N 1 3 285.435 3.036 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247977538 290221106 /nfs/dbraw/zinc/22/11/06/290221106.db2.gz HZDJQWPMSQSDIB-FHLIZLRMSA-N 1 3 283.419 3.035 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247977538 290221109 /nfs/dbraw/zinc/22/11/09/290221109.db2.gz HZDJQWPMSQSDIB-FHLIZLRMSA-N 1 3 283.419 3.035 20 30 CGEDHO C=CC[C@H](C)[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178035886 329191727 /nfs/dbraw/zinc/19/17/27/329191727.db2.gz FOIFXXALMFQBNN-NXOAAHMSSA-N 1 3 282.472 3.066 20 30 CGEDHO C=CCC[C@H]([NH2+]Cc1ccc2c(c1)CNC2)C1CC1 ZINC000423397546 330195617 /nfs/dbraw/zinc/19/56/17/330195617.db2.gz TWAHFRMVOMHVGW-KRWDZBQOSA-N 1 3 256.393 3.124 20 30 CGEDHO C[C@H](CC[NH2+]CC(C)(C)CCC#N)N1CCCCC1 ZINC000184331543 335923646 /nfs/dbraw/zinc/92/36/46/335923646.db2.gz RZXVDGXWRUTKRS-OAHLLOKOSA-N 1 3 265.445 3.170 20 30 CGEDHO CCCN1CCC([NH2+]Cc2c(C)cc(C#N)cc2C)CC1 ZINC000921499793 625412772 /nfs/dbraw/zinc/41/27/72/625412772.db2.gz HGBKWHWNXOERDU-UHFFFAOYSA-N 1 3 285.435 3.139 20 30 CGEDHO CCCCCCCC[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897970553 620451321 /nfs/dbraw/zinc/45/13/21/620451321.db2.gz SNDSLGMRCSDMSY-KZNAEPCWSA-N 1 3 296.499 3.314 20 30 CGEDHO CCCCCCCC[C@H](CO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897970553 620451324 /nfs/dbraw/zinc/45/13/24/620451324.db2.gz SNDSLGMRCSDMSY-KZNAEPCWSA-N 1 3 296.499 3.314 20 30 CGEDHO Cc1cc(C#N)cc(C)c1CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903481838 621764851 /nfs/dbraw/zinc/76/48/51/621764851.db2.gz OCTXSVCFKYQOLN-IBGZPJMESA-N 1 3 297.446 3.141 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000921557949 625683628 /nfs/dbraw/zinc/68/36/28/625683628.db2.gz PXZWMQYSVFPUJD-UHFFFAOYSA-N 1 3 297.446 3.139 20 30 CGEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000817977665 632268900 /nfs/dbraw/zinc/26/89/00/632268900.db2.gz NPXQAKQFROLCHU-AGIUHOORSA-N 1 3 282.815 3.204 20 30 CGEDHO C#CCCCCCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000876779680 634898365 /nfs/dbraw/zinc/89/83/65/634898365.db2.gz BLGCQGASYGZDSQ-GOSISDBHSA-N 1 3 276.468 3.234 20 30 CGEDHO C#CCCCCCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000876779680 634898368 /nfs/dbraw/zinc/89/83/68/634898368.db2.gz BLGCQGASYGZDSQ-GOSISDBHSA-N 1 3 276.468 3.234 20 30 CGEDHO N#CC1CCC(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925655080 638558314 /nfs/dbraw/zinc/55/83/14/638558314.db2.gz PKHWMTVVRMYNTI-MUDYYLEHSA-N 1 3 289.467 3.074 20 30 CGEDHO C[C@@H](NC1CCC(C)([NH+]2CCC2)CC1)c1cc(C#N)ccn1 ZINC000927040132 638834878 /nfs/dbraw/zinc/83/48/78/638834878.db2.gz XMSKPLQJXAFJMQ-MXWWQKGMSA-N 1 3 298.434 3.011 20 30 CGEDHO CCCCCCCC[C@H](O)C[NH2+]CC[C@H]1CCCN1C ZINC001252134623 806019843 /nfs/dbraw/zinc/01/98/43/806019843.db2.gz SCFWCZLFMWXZBB-SJORKVTESA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@H](O)CNCC[C@H]1CCC[N@@H+]1C ZINC001252134623 806019851 /nfs/dbraw/zinc/01/98/51/806019851.db2.gz SCFWCZLFMWXZBB-SJORKVTESA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@H](O)CNCC[C@H]1CCC[N@H+]1C ZINC001252134623 806019861 /nfs/dbraw/zinc/01/98/61/806019861.db2.gz SCFWCZLFMWXZBB-SJORKVTESA-N 1 3 284.488 3.172 20 30 CGEDHO CC[C@@H](CC#N)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001255155334 806557239 /nfs/dbraw/zinc/55/72/39/806557239.db2.gz PGUIAZQKNKYTPW-INIZCTEOSA-N 1 3 277.456 3.313 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN(C)CCC[NH3+] ZINC001246038376 804102348 /nfs/dbraw/zinc/10/23/48/804102348.db2.gz JWSINOXRWGRFEV-MRXNPFEDSA-N 1 3 272.477 3.159 20 30 CGEDHO CCCCCCCC[C@@H](CC)N[C@H]1COCCC12C[NH2+]C2 ZINC001246139929 804163762 /nfs/dbraw/zinc/16/37/62/804163762.db2.gz YIQNPHAWLRYFLT-SJORKVTESA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCCC[C@@H](CC)[NH2+][C@H]1COCCC12CNC2 ZINC001246139929 804163766 /nfs/dbraw/zinc/16/37/66/804163766.db2.gz YIQNPHAWLRYFLT-SJORKVTESA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCC[C@H](CCC)[NH2+][C@@]1(CCO)CCNC1 ZINC001246292408 804262722 /nfs/dbraw/zinc/26/27/22/804262722.db2.gz JPBUIPVMHAXKOF-DLBZAZTESA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1CNCC[C@H]1N ZINC001246494481 804360577 /nfs/dbraw/zinc/36/05/77/804360577.db2.gz GFTYCXSUGOVUGK-ZACQAIPSSA-N 1 3 283.504 3.040 20 30 CGEDHO C=C1C[C@@H]2CC(N3CC[C@]4(C3)CCCC[NH2+]4)C[C@H](C1)C2 ZINC001246619625 804453456 /nfs/dbraw/zinc/45/34/56/804453456.db2.gz IDSPJROCKOUXMG-WFFDWFOESA-N 1 3 274.452 3.339 20 30 CGEDHO CCCCCCCC[C@@H](CC)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246625397 804457580 /nfs/dbraw/zinc/45/75/80/804457580.db2.gz RHPXPGBHWOFYRP-KZNAEPCWSA-N 1 3 296.499 3.436 20 30 CGEDHO C=CCC[N@H+](Cc1ccccc1)[C@H]1CCN[C@@H](C)C1 ZINC001246799407 804521919 /nfs/dbraw/zinc/52/19/19/804521919.db2.gz ZDCMARMIRKNDGL-RDJZCZTQSA-N 1 3 258.409 3.205 20 30 CGEDHO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCN[C@@H](C)C1 ZINC001246799407 804521925 /nfs/dbraw/zinc/52/19/25/804521925.db2.gz ZDCMARMIRKNDGL-RDJZCZTQSA-N 1 3 258.409 3.205 20 30 CGEDHO C=CCCN(Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246799407 804521929 /nfs/dbraw/zinc/52/19/29/804521929.db2.gz ZDCMARMIRKNDGL-RDJZCZTQSA-N 1 3 258.409 3.205 20 30 CGEDHO C[C@@H](CN)C[N@H+](Cc1ccccc1)C1CCC(C#N)CC1 ZINC001256959649 807016396 /nfs/dbraw/zinc/01/63/96/807016396.db2.gz OGULUMQVSSFUNK-HJOIGYKYSA-N 1 3 285.435 3.166 20 30 CGEDHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1CCC(C#N)CC1 ZINC001256959649 807016402 /nfs/dbraw/zinc/01/64/02/807016402.db2.gz OGULUMQVSSFUNK-HJOIGYKYSA-N 1 3 285.435 3.166 20 30 CGEDHO C[C@@H](CCCC#N)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247006847 804636901 /nfs/dbraw/zinc/63/69/01/804636901.db2.gz VXVCGIYMZNBLSG-INIZCTEOSA-N 1 3 297.446 3.206 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258039596 807271189 /nfs/dbraw/zinc/27/11/89/807271189.db2.gz UKPWTKIKCAMUAG-SFHVURJKSA-N 1 3 297.531 3.351 20 30 CGEDHO C=C(C)CN(CC)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994681 807293910 /nfs/dbraw/zinc/29/39/10/807293910.db2.gz KFLQABSUPCIBEL-SJPCQFCGSA-N 1 3 262.441 3.290 20 30 CGEDHO C=C(C)CN(CC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994681 807293917 /nfs/dbraw/zinc/29/39/17/807293917.db2.gz KFLQABSUPCIBEL-SJPCQFCGSA-N 1 3 262.441 3.290 20 30 CGEDHO C=CCC[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC001258725003 807573800 /nfs/dbraw/zinc/57/38/00/807573800.db2.gz DNLJSEHPHZIVLK-HNNXBMFYSA-N 1 3 250.430 3.291 20 30 CGEDHO C=CCC[C@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC001258725003 807573807 /nfs/dbraw/zinc/57/38/07/807573807.db2.gz DNLJSEHPHZIVLK-HNNXBMFYSA-N 1 3 250.430 3.291 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC001206606292 813373201 /nfs/dbraw/zinc/37/32/01/813373201.db2.gz JJCIKMDNQDDUAR-IAGOWNOFSA-N 1 3 262.441 3.350 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@H](CN)C2)CC1 ZINC001206606292 813373206 /nfs/dbraw/zinc/37/32/06/813373206.db2.gz JJCIKMDNQDDUAR-IAGOWNOFSA-N 1 3 262.441 3.350 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2CCCC[C@H](C[NH3+])C2)CC1 ZINC001206606292 813373213 /nfs/dbraw/zinc/37/32/13/813373213.db2.gz JJCIKMDNQDDUAR-IAGOWNOFSA-N 1 3 262.441 3.350 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[NH+]2C[C@@H]3CN(CC)C[C@H]3C2)CC1 ZINC001208179055 813730378 /nfs/dbraw/zinc/73/03/78/813730378.db2.gz KNFKDEDWJVVMNY-SQNIBIBYSA-N 1 3 274.452 3.173 20 30 CGEDHO C=CCCCCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001209431207 814031120 /nfs/dbraw/zinc/03/11/20/814031120.db2.gz JHMATVUNNUNOQA-UHFFFAOYSA-N 1 3 273.424 3.340 20 30 CGEDHO C=CCCCCCN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001209432845 814033561 /nfs/dbraw/zinc/03/35/61/814033561.db2.gz KTRYWXFCTALNFH-UHFFFAOYSA-N 1 3 273.424 3.258 20 30 CGEDHO C=CCCCCCCCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209442007 814040793 /nfs/dbraw/zinc/04/07/93/814040793.db2.gz MXVPIHIZUHBIAU-IAGOWNOFSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235402862 819085648 /nfs/dbraw/zinc/08/56/48/819085648.db2.gz KBIWSMOLWKREHB-HOTGVXAUSA-N 1 3 268.420 3.146 20 30 CGEDHO C=CCCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235402862 819085651 /nfs/dbraw/zinc/08/56/51/819085651.db2.gz KBIWSMOLWKREHB-HOTGVXAUSA-N 1 3 268.420 3.146 20 30 CGEDHO C=CCCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235402862 819085656 /nfs/dbraw/zinc/08/56/56/819085656.db2.gz KBIWSMOLWKREHB-HOTGVXAUSA-N 1 3 268.420 3.146 20 30 CGEDHO CC[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925411 933958247 /nfs/dbraw/zinc/95/82/47/933958247.db2.gz MJVWCPKIUIRUPD-QFBILLFUSA-N 1 3 297.446 3.257 20 30 CGEDHO CC[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925411 933958251 /nfs/dbraw/zinc/95/82/51/933958251.db2.gz MJVWCPKIUIRUPD-QFBILLFUSA-N 1 3 297.446 3.257 20 30 CGEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000091512964 345817901 /nfs/dbraw/zinc/81/79/01/345817901.db2.gz XCYCIUKDRGLSTL-JKSUJKDBSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@H](C)[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000091512964 345817904 /nfs/dbraw/zinc/81/79/04/345817904.db2.gz XCYCIUKDRGLSTL-JKSUJKDBSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@H](C)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000091512964 345817906 /nfs/dbraw/zinc/81/79/06/345817906.db2.gz XCYCIUKDRGLSTL-JKSUJKDBSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@H](C)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000091512964 345817909 /nfs/dbraw/zinc/81/79/09/345817909.db2.gz XCYCIUKDRGLSTL-JKSUJKDBSA-N 1 3 252.446 3.395 20 30 CGEDHO CC[N@H+](Cc1ccc(CN(C)C)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000599661339 347762376 /nfs/dbraw/zinc/76/23/76/347762376.db2.gz UNQONDFVYBMOEN-QZTJIDSGSA-N 1 3 285.435 3.262 20 30 CGEDHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000599661339 347762380 /nfs/dbraw/zinc/76/23/80/347762380.db2.gz UNQONDFVYBMOEN-QZTJIDSGSA-N 1 3 285.435 3.262 20 30 CGEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000601289549 347889393 /nfs/dbraw/zinc/88/93/93/347889393.db2.gz OOLYVHQEUKAQSC-BVBHFADKSA-N 1 3 297.446 3.036 20 30 CGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[C@H](C#N)C1 ZINC000601289549 347889395 /nfs/dbraw/zinc/88/93/95/347889395.db2.gz OOLYVHQEUKAQSC-BVBHFADKSA-N 1 3 297.446 3.036 20 30 CGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[C@H](C#N)C1 ZINC000601289549 347889396 /nfs/dbraw/zinc/88/93/96/347889396.db2.gz OOLYVHQEUKAQSC-BVBHFADKSA-N 1 3 297.446 3.036 20 30 CGEDHO CC[NH+](CC)CCC[C@H](C)NCc1cccc(F)c1C#N ZINC000601999011 347932092 /nfs/dbraw/zinc/93/20/92/347932092.db2.gz RTZREBPYAQECKK-AWEZNQCLSA-N 1 3 291.414 3.297 20 30 CGEDHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(C#N)cc1 ZINC000602018435 347933153 /nfs/dbraw/zinc/93/31/53/347933153.db2.gz BTEQDHUHZOYCNK-CQSZACIVSA-N 1 3 291.398 3.055 20 30 CGEDHO C[C@@H](CCC#N)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000602451654 347959945 /nfs/dbraw/zinc/95/99/45/347959945.db2.gz RBKRFQKDYDDFSD-ZWKOTPCHSA-N 1 3 291.483 3.370 20 30 CGEDHO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000602451654 347959949 /nfs/dbraw/zinc/95/99/49/347959949.db2.gz RBKRFQKDYDDFSD-ZWKOTPCHSA-N 1 3 291.483 3.370 20 30 CGEDHO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000602451654 347959951 /nfs/dbraw/zinc/95/99/51/347959951.db2.gz RBKRFQKDYDDFSD-ZWKOTPCHSA-N 1 3 291.483 3.370 20 30 CGEDHO C[C@H](CCC#N)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000602727642 348019277 /nfs/dbraw/zinc/01/92/77/348019277.db2.gz FWDBRJKPYPSNLX-AOIWGVFYSA-N 1 3 299.462 3.284 20 30 CGEDHO N#CCC1(CN2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000602801306 348031637 /nfs/dbraw/zinc/03/16/37/348031637.db2.gz OSXQPHWXCHLDHJ-UHFFFAOYSA-N 1 3 289.467 3.268 20 30 CGEDHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000414196841 235361073 /nfs/dbraw/zinc/36/10/73/235361073.db2.gz VKYQMXJSYRCGBE-UONOGXRCSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000414196841 235361075 /nfs/dbraw/zinc/36/10/75/235361075.db2.gz VKYQMXJSYRCGBE-UONOGXRCSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000423014002 371916955 /nfs/dbraw/zinc/91/69/55/371916955.db2.gz HGDMLPDWNVJPGF-HUUCEWRRSA-N 1 3 293.414 3.441 20 30 CGEDHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442793829 373084578 /nfs/dbraw/zinc/08/45/78/373084578.db2.gz SDYPMTPWBAWCJC-BZUAXINKSA-N 1 3 277.456 3.169 20 30 CGEDHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442793829 373084586 /nfs/dbraw/zinc/08/45/86/373084586.db2.gz SDYPMTPWBAWCJC-BZUAXINKSA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@H](CC[NH2+][C@@H]1CCc2ccc(C#N)cc21)N1CCCCC1 ZINC000353675892 220247977 /nfs/dbraw/zinc/24/79/77/220247977.db2.gz INIZZYUASBCRPS-DNVCBOLYSA-N 1 3 297.446 3.400 20 30 CGEDHO C=CCC[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000471836042 375007831 /nfs/dbraw/zinc/00/78/31/375007831.db2.gz HPDJDFKFBAOEFD-QZTJIDSGSA-N 1 3 272.436 3.235 20 30 CGEDHO C=CCC[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000471836042 375007837 /nfs/dbraw/zinc/00/78/37/375007837.db2.gz HPDJDFKFBAOEFD-QZTJIDSGSA-N 1 3 272.436 3.235 20 30 CGEDHO C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000351717363 379742132 /nfs/dbraw/zinc/74/21/32/379742132.db2.gz DJAKHHYYJYBHNE-GJZGRUSLSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCCCC[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643549035 380366919 /nfs/dbraw/zinc/36/69/19/380366919.db2.gz ZIROJZGCYJCOEF-CABCVRRESA-N 1 3 250.430 3.386 20 30 CGEDHO C=CCC[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000658116700 419590457 /nfs/dbraw/zinc/59/04/57/419590457.db2.gz NRSFUZIJVMODAY-GDBMZVCRSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000658116700 419590463 /nfs/dbraw/zinc/59/04/63/419590463.db2.gz NRSFUZIJVMODAY-GDBMZVCRSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000658239464 419697592 /nfs/dbraw/zinc/69/75/92/419697592.db2.gz VDJHBLTXAHLIBY-OAGGEKHMSA-N 1 3 250.430 3.195 20 30 CGEDHO C[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)CN1CCCCC1 ZINC000353383238 279350519 /nfs/dbraw/zinc/35/05/19/279350519.db2.gz IREXUOUCHMDGAR-DNVCBOLYSA-N 1 3 297.446 3.257 20 30 CGEDHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)C1 ZINC000424337099 330343508 /nfs/dbraw/zinc/34/35/08/330343508.db2.gz YWBGMGRVNUDPBI-CYGHRXIMSA-N 1 3 289.467 3.311 20 30 CGEDHO N#CC1(CCCCN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000903739962 621800996 /nfs/dbraw/zinc/80/09/96/621800996.db2.gz BRFVZFVIHPUAMA-SJORKVTESA-N 1 3 289.467 3.315 20 30 CGEDHO N#CC1(CCCCN2CCCC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000903784017 621807608 /nfs/dbraw/zinc/80/76/08/621807608.db2.gz JGJSLCJPDOZTKT-SFHVURJKSA-N 1 3 289.467 3.316 20 30 CGEDHO C#CCCCCCC[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000877073198 622936304 /nfs/dbraw/zinc/93/63/04/622936304.db2.gz FHFQYIJYLWZSKR-JKSUJKDBSA-N 1 3 250.430 3.033 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)C1 ZINC000845943028 636121920 /nfs/dbraw/zinc/12/19/20/636121920.db2.gz XQXRLTXDTQWFOF-UGUYLWEFSA-N 1 3 250.430 3.194 20 30 CGEDHO N#CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886522178 637550570 /nfs/dbraw/zinc/55/05/70/637550570.db2.gz DTESFHUEEGZJAX-OTWHNJEPSA-N 1 3 297.446 3.323 20 30 CGEDHO CCCCCCCC[C@H](O)C[NH2+]CC[C@@H]1CCCN1C ZINC001252134622 806021060 /nfs/dbraw/zinc/02/10/60/806021060.db2.gz SCFWCZLFMWXZBB-IRXDYDNUSA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@H](O)CNCC[C@@H]1CCC[N@@H+]1C ZINC001252134622 806021068 /nfs/dbraw/zinc/02/10/68/806021068.db2.gz SCFWCZLFMWXZBB-IRXDYDNUSA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@H](O)CNCC[C@@H]1CCC[N@H+]1C ZINC001252134622 806021079 /nfs/dbraw/zinc/02/10/79/806021079.db2.gz SCFWCZLFMWXZBB-IRXDYDNUSA-N 1 3 284.488 3.172 20 30 CGEDHO C=CCC[C@H](O)CNCCC[NH+](CCCC)CCCC ZINC001252616816 806090624 /nfs/dbraw/zinc/09/06/24/806090624.db2.gz UMFQAPVZXBVIOF-KRWDZBQOSA-N 1 3 284.488 3.195 20 30 CGEDHO C=CCCCCCC[C@H](O)CNC1CC[NH+](CCC)CC1 ZINC001253248643 806195485 /nfs/dbraw/zinc/19/54/85/806195485.db2.gz YYNXPXGHVLIMIX-SFHVURJKSA-N 1 3 296.499 3.338 20 30 CGEDHO C#CC1([NH2+][C@H](C)CCN(CC)CC)CCCCC1 ZINC001255951103 806795465 /nfs/dbraw/zinc/79/54/65/806795465.db2.gz FYFZQFTWQUORFY-OAHLLOKOSA-N 1 3 250.430 3.033 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CNC[C@]1(C)CC[NH2+]C1 ZINC001245985323 804093362 /nfs/dbraw/zinc/09/33/62/804093362.db2.gz AYKRCISZFBZQEC-QZTJIDSGSA-N 1 3 298.515 3.467 20 30 CGEDHO CCCCCCCCCC[C@H](O)CNCC1(C)C[NH2+]C1 ZINC001245997213 804096636 /nfs/dbraw/zinc/09/66/36/804096636.db2.gz WZIURKJHKXBKHJ-INIZCTEOSA-N 1 3 284.488 3.077 20 30 CGEDHO CCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246007944 804098168 /nfs/dbraw/zinc/09/81/68/804098168.db2.gz ZIEJCPIEBXQNKA-VSZNYVQBSA-N 1 3 296.499 3.361 20 30 CGEDHO CCCCCCCC[C@@H](O)CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246007944 804098176 /nfs/dbraw/zinc/09/81/76/804098176.db2.gz ZIEJCPIEBXQNKA-VSZNYVQBSA-N 1 3 296.499 3.361 20 30 CGEDHO CCCCCCCC[C@H](O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246034497 804102872 /nfs/dbraw/zinc/10/28/72/804102872.db2.gz XCSKOWLHGFVIAP-ZWKOTPCHSA-N 1 3 296.499 3.173 20 30 CGEDHO CCCCCCCC[C@@H](O)C[N@H+](C)C1(C)CCNCC1 ZINC001246060807 804104553 /nfs/dbraw/zinc/10/45/53/804104553.db2.gz DTXRYWRYGYJWRI-MRXNPFEDSA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@@H](O)C[N@@H+](C)C1(C)CCNCC1 ZINC001246060807 804104556 /nfs/dbraw/zinc/10/45/56/804104556.db2.gz DTXRYWRYGYJWRI-MRXNPFEDSA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCC[C@H](CCC)[NH2+][C@H]1COCCC12CNC2 ZINC001246138759 804162198 /nfs/dbraw/zinc/16/21/98/804162198.db2.gz OJJWGJNTSYFFPH-IRXDYDNUSA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCC[C@H](CCC)N[C@H]1COCCC12C[NH2+]C2 ZINC001246138759 804162201 /nfs/dbraw/zinc/16/22/01/804162201.db2.gz OJJWGJNTSYFFPH-IRXDYDNUSA-N 1 3 296.499 3.484 20 30 CGEDHO C=CCC[C@@H](C)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246449790 804335727 /nfs/dbraw/zinc/33/57/27/804335727.db2.gz XXXRRDSSOGHVNR-CQSZACIVSA-N 1 3 250.430 3.243 20 30 CGEDHO C=C1C[C@@H]2CC([NH2+][C@H](C3CCC3)C3CNC3)C[C@H](C1)C2 ZINC001246519238 804371133 /nfs/dbraw/zinc/37/11/33/804371133.db2.gz RHBXEOWSMOVKKM-TURZLHOUSA-N 1 3 274.452 3.099 20 30 CGEDHO CCCCCCCC[C@@H](CC)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246646883 804473655 /nfs/dbraw/zinc/47/36/55/804473655.db2.gz ORYRPTWLNXMJTO-KURKYZTESA-N 1 3 296.499 3.029 20 30 CGEDHO CCCCCCCCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246656145 804480829 /nfs/dbraw/zinc/48/08/29/804480829.db2.gz IYKJUMQSSRIWAI-WCVJEAGWSA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246656145 804480831 /nfs/dbraw/zinc/48/08/31/804480831.db2.gz IYKJUMQSSRIWAI-WCVJEAGWSA-N 1 3 252.446 3.405 20 30 CGEDHO C=CC[N@H+](C1CCCCC1)[C@@H]1CCN[C@@H](CC)C1 ZINC001246944839 804612320 /nfs/dbraw/zinc/61/23/20/804612320.db2.gz CYPMKPBPLDSWET-GOEBONIOSA-N 1 3 250.430 3.338 20 30 CGEDHO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCN[C@@H](CC)C1 ZINC001246944839 804612325 /nfs/dbraw/zinc/61/23/25/804612325.db2.gz CYPMKPBPLDSWET-GOEBONIOSA-N 1 3 250.430 3.338 20 30 CGEDHO CN1C(C)(C)CC([NH2+]CCc2ccc(C#N)cc2)CC1(C)C ZINC001171621803 808106099 /nfs/dbraw/zinc/10/60/99/808106099.db2.gz QEWXHKXEVSLNQX-UHFFFAOYSA-N 1 3 299.462 3.342 20 30 CGEDHO C=CCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982348 808165140 /nfs/dbraw/zinc/16/51/40/808165140.db2.gz HOCGTDQNWHPCPP-INIZCTEOSA-N 1 3 258.409 3.205 20 30 CGEDHO C=CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982348 808165145 /nfs/dbraw/zinc/16/51/45/808165145.db2.gz HOCGTDQNWHPCPP-INIZCTEOSA-N 1 3 258.409 3.205 20 30 CGEDHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H](C)CCCC#N ZINC001172487232 808347897 /nfs/dbraw/zinc/34/78/97/808347897.db2.gz GMNZEXDXKZPSSK-HOTGVXAUSA-N 1 3 273.424 3.166 20 30 CGEDHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H](C)CCCC#N ZINC001172487232 808347906 /nfs/dbraw/zinc/34/79/06/808347906.db2.gz GMNZEXDXKZPSSK-HOTGVXAUSA-N 1 3 273.424 3.166 20 30 CGEDHO C[C@@H](CCCC#N)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001172486732 808347966 /nfs/dbraw/zinc/34/79/66/808347966.db2.gz CRYLFUWXFPJBAP-HNNXBMFYSA-N 1 3 277.456 3.313 20 30 CGEDHO C[C@H](CCCC#N)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001172488551 808349780 /nfs/dbraw/zinc/34/97/80/808349780.db2.gz NGJFGGTURZLFIF-OAHLLOKOSA-N 1 3 277.456 3.455 20 30 CGEDHO CCCCCCCCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201840350 811970172 /nfs/dbraw/zinc/97/01/72/811970172.db2.gz VBQMRXUKHIHEND-HZPDHXFCSA-N 1 3 252.446 3.230 20 30 CGEDHO C[C@@]1(C[NH3+])CCCN(Cc2cccc(C#N)c2Cl)CC1 ZINC001206311143 813284168 /nfs/dbraw/zinc/28/41/68/813284168.db2.gz JWLMXPWIDXSIMK-MRXNPFEDSA-N 1 3 291.826 3.163 20 30 CGEDHO C=CCCCN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209161600 813951977 /nfs/dbraw/zinc/95/19/77/813951977.db2.gz AHWZOUXQQQLKNG-UHFFFAOYSA-N 1 3 284.447 3.475 20 30 CGEDHO C=CCCCN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209161600 813951980 /nfs/dbraw/zinc/95/19/80/813951980.db2.gz AHWZOUXQQQLKNG-UHFFFAOYSA-N 1 3 284.447 3.475 20 30 CGEDHO CCCCCCC/C=C/CN1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236072155 819301296 /nfs/dbraw/zinc/30/12/96/819301296.db2.gz DXWDSNDAJOZIBY-BLGFXRMMSA-N 1 3 293.499 3.010 20 30 CGEDHO CC[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925413 933958850 /nfs/dbraw/zinc/95/88/50/933958850.db2.gz MJVWCPKIUIRUPD-VQIMIIECSA-N 1 3 297.446 3.257 20 30 CGEDHO CC[N@H+]1CCC[C@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925413 933958856 /nfs/dbraw/zinc/95/88/56/933958856.db2.gz MJVWCPKIUIRUPD-VQIMIIECSA-N 1 3 297.446 3.257 20 30 CGEDHO C#CCCCCCCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001560155541 938245571 /nfs/dbraw/zinc/24/55/71/938245571.db2.gz OCSJSYSAHYBWDN-QGZVFWFLSA-N 1 3 285.435 3.176 20 30 CGEDHO C#CCCCCCC[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001560155541 938245572 /nfs/dbraw/zinc/24/55/72/938245572.db2.gz OCSJSYSAHYBWDN-QGZVFWFLSA-N 1 3 285.435 3.176 20 30 CGEDHO C#CCCCCCC[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001560155541 938245573 /nfs/dbraw/zinc/24/55/73/938245573.db2.gz OCSJSYSAHYBWDN-QGZVFWFLSA-N 1 3 285.435 3.176 20 30 CGEDHO C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001561052832 938292439 /nfs/dbraw/zinc/29/24/39/938292439.db2.gz MEJFWDXIOJTADE-YLFCFFPRSA-N 1 3 264.457 3.441 20 30 CGEDHO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC1CC[NH2+]CC1 ZINC001580036493 962689457 /nfs/dbraw/zinc/68/94/57/962689457.db2.gz XCDOJUOUZHEQRI-OALUTQOASA-N 1 3 297.446 3.148 20 30 CGEDHO C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)CN1CCCC1 ZINC000611391136 348444321 /nfs/dbraw/zinc/44/43/21/348444321.db2.gz UUKZGRUPNLKLIE-KXBFYZLASA-N 1 3 297.446 3.257 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000611390994 348444644 /nfs/dbraw/zinc/44/46/44/348444644.db2.gz YZVQOPIMAKNVBF-HNAYVOBHSA-N 1 3 295.430 3.010 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000611390994 348444645 /nfs/dbraw/zinc/44/46/45/348444645.db2.gz YZVQOPIMAKNVBF-HNAYVOBHSA-N 1 3 295.430 3.010 20 30 CGEDHO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000629510872 350698972 /nfs/dbraw/zinc/69/89/72/350698972.db2.gz WAIWCSVEFLQYDT-LBPRGKRZSA-N 1 3 261.413 3.102 20 30 CGEDHO C[C@H]1CCC[N@H+](CCCCNCc2cccc(C#N)c2)C1 ZINC000067691714 369725668 /nfs/dbraw/zinc/72/56/68/369725668.db2.gz CVJNTWSZCHVQNS-INIZCTEOSA-N 1 3 285.435 3.160 20 30 CGEDHO C[C@H]1CCC[N@@H+](CCCCNCc2cccc(C#N)c2)C1 ZINC000067691714 369725672 /nfs/dbraw/zinc/72/56/72/369725672.db2.gz CVJNTWSZCHVQNS-INIZCTEOSA-N 1 3 285.435 3.160 20 30 CGEDHO CC(C)(CCC#N)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683912 370154159 /nfs/dbraw/zinc/15/41/59/370154159.db2.gz YQBRDMLKOINKHN-MRXNPFEDSA-N 1 3 277.456 3.124 20 30 CGEDHO CC(C)(CCC#N)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000093683912 370154164 /nfs/dbraw/zinc/15/41/64/370154164.db2.gz YQBRDMLKOINKHN-MRXNPFEDSA-N 1 3 277.456 3.124 20 30 CGEDHO CC(C)(CCC#N)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000093683912 370154168 /nfs/dbraw/zinc/15/41/68/370154168.db2.gz YQBRDMLKOINKHN-MRXNPFEDSA-N 1 3 277.456 3.124 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CC[C@H](C#N)C2)C1 ZINC000442722667 373069274 /nfs/dbraw/zinc/06/92/74/373069274.db2.gz XXYBOFCHALXAKO-XUWVNRHRSA-N 1 3 277.456 3.025 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2CC[C@H](C#N)C2)C1 ZINC000442722667 373069282 /nfs/dbraw/zinc/06/92/82/373069282.db2.gz XXYBOFCHALXAKO-XUWVNRHRSA-N 1 3 277.456 3.025 20 30 CGEDHO N#C[C@H]1CC[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000442708436 373066610 /nfs/dbraw/zinc/06/66/10/373066610.db2.gz JAQORBYTVQSYNL-MAUKXSAKSA-N 1 3 283.419 3.064 20 30 CGEDHO CC(C)[C@@H](CN[C@H]1CC[C@@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000442723061 373071019 /nfs/dbraw/zinc/07/10/19/373071019.db2.gz WQPKCWLXQSRZDL-IXDOHACOSA-N 1 3 277.456 3.025 20 30 CGEDHO C=C(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298592137 373362019 /nfs/dbraw/zinc/36/20/19/373362019.db2.gz YOBYUJWOAWCWMX-UHFFFAOYSA-N 1 3 293.414 3.353 20 30 CGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1(CC#N)CC1 ZINC000376672528 379592997 /nfs/dbraw/zinc/59/29/97/379592997.db2.gz NVCUDPBQVMLAQS-AEFFLSMTSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1(CC#N)CC1 ZINC000376672528 379593003 /nfs/dbraw/zinc/59/30/03/379593003.db2.gz NVCUDPBQVMLAQS-AEFFLSMTSA-N 1 3 297.446 3.180 20 30 CGEDHO CCCC[N@H+](C)CC1CCN([C@@H](C)CCC#N)CC1 ZINC000351606563 379728540 /nfs/dbraw/zinc/72/85/40/379728540.db2.gz DHPSEXWIDVFRGV-HNNXBMFYSA-N 1 3 265.445 3.123 20 30 CGEDHO CCCC[N@@H+](C)CC1CCN([C@@H](C)CCC#N)CC1 ZINC000351606563 379728545 /nfs/dbraw/zinc/72/85/45/379728545.db2.gz DHPSEXWIDVFRGV-HNNXBMFYSA-N 1 3 265.445 3.123 20 30 CGEDHO CN(C)[C@@H]1CCC[N@H+](CCC2(C#N)CCCCC2)CC1 ZINC000411633807 392984623 /nfs/dbraw/zinc/98/46/23/392984623.db2.gz KDTRKHQVJFSGGD-MRXNPFEDSA-N 1 3 277.456 3.267 20 30 CGEDHO CN(C)[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)CC1 ZINC000411633807 392984625 /nfs/dbraw/zinc/98/46/25/392984625.db2.gz KDTRKHQVJFSGGD-MRXNPFEDSA-N 1 3 277.456 3.267 20 30 CGEDHO C=CCOc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000020189426 171056008 /nfs/dbraw/zinc/05/60/08/171056008.db2.gz DGQZOWNIKGNHJA-UHFFFAOYSA-N 1 3 288.435 3.214 20 30 CGEDHO C=CCOc1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000020549698 171246797 /nfs/dbraw/zinc/24/67/97/171246797.db2.gz WORYNRVGPXJUJU-UHFFFAOYSA-N 1 3 288.435 3.217 20 30 CGEDHO C=CCCC1(C[NH2+][C@H]2CCC[C@H]2CN)CCCC1 ZINC000665236473 419086675 /nfs/dbraw/zinc/08/66/75/419086675.db2.gz NMEDQMCALICHSO-GJZGRUSLSA-N 1 3 250.430 3.230 20 30 CGEDHO C=C(CC)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660678606 419181903 /nfs/dbraw/zinc/18/19/03/419181903.db2.gz WOLMRVQVUFECAV-UHFFFAOYSA-N 1 3 258.409 3.207 20 30 CGEDHO C[C@@H](CC[NH2+][C@H]1CCc2ccc(C#N)cc21)N1CCCCC1 ZINC000353675898 274209899 /nfs/dbraw/zinc/20/98/99/274209899.db2.gz INIZZYUASBCRPS-KXBFYZLASA-N 1 3 297.446 3.400 20 30 CGEDHO C=CCCCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000560187128 327288931 /nfs/dbraw/zinc/28/89/31/327288931.db2.gz MHQTUUINIBSVFC-IRXDYDNUSA-N 1 3 294.483 3.164 20 30 CGEDHO CC[NH+](CC)CCCC1CCN(CCCC#N)CC1 ZINC000182761736 329244511 /nfs/dbraw/zinc/24/45/11/329244511.db2.gz AFFABWJDENDIIW-UHFFFAOYSA-N 1 3 265.445 3.124 20 30 CGEDHO C=CC(C)(C)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000527926228 330296630 /nfs/dbraw/zinc/29/66/30/330296630.db2.gz PKHXTONJLZZUMV-UHFFFAOYSA-N 1 3 252.446 3.441 20 30 CGEDHO N#CCCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453195076 331100015 /nfs/dbraw/zinc/10/00/15/331100015.db2.gz OPNYCYJMMJKBHY-IPMKNSEASA-N 1 3 297.446 3.323 20 30 CGEDHO N#CCCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453195076 331100016 /nfs/dbraw/zinc/10/00/16/331100016.db2.gz OPNYCYJMMJKBHY-IPMKNSEASA-N 1 3 297.446 3.323 20 30 CGEDHO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453305398 331113897 /nfs/dbraw/zinc/11/38/97/331113897.db2.gz HXADCCCKZSCAGE-OAHLLOKOSA-N 1 3 290.451 3.490 20 30 CGEDHO C=CC(C)(C)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000529636618 333502354 /nfs/dbraw/zinc/50/23/54/333502354.db2.gz FBNJWSIAMKUKDF-UHFFFAOYSA-N 1 3 273.424 3.242 20 30 CGEDHO C=CCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000385866803 336158176 /nfs/dbraw/zinc/15/81/76/336158176.db2.gz XXZGPQHOXFAVJV-BZUAXINKSA-N 1 3 250.430 3.243 20 30 CGEDHO C=CCN(Cc1ccccc1F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903884794 621826530 /nfs/dbraw/zinc/82/65/30/621826530.db2.gz ANWLUFPANLTSJC-ZXFUBFMLSA-N 1 3 288.410 3.344 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2cncc3ccccc32)CC1 ZINC000772926037 627832927 /nfs/dbraw/zinc/83/29/27/627832927.db2.gz DRXLUWYQULKRLJ-UHFFFAOYSA-N 1 3 295.430 3.365 20 30 CGEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000775397016 628090085 /nfs/dbraw/zinc/09/00/85/628090085.db2.gz RUEPWSSFHNEZMZ-LMMKCTJWSA-N 1 3 297.446 3.398 20 30 CGEDHO C=CCCCCC[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000793568061 629484790 /nfs/dbraw/zinc/48/47/90/629484790.db2.gz RKEJGWBZYLAHTF-QGZVFWFLSA-N 1 3 295.515 3.127 20 30 CGEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000817965160 632259930 /nfs/dbraw/zinc/25/99/30/632259930.db2.gz QMHDFGCIGCTPTK-CYBMUJFWSA-N 1 3 294.826 3.350 20 30 CGEDHO C[NH+](C)C1(C)CCC(NCc2cccc(F)c2C#N)CC1 ZINC000873148483 634258018 /nfs/dbraw/zinc/25/80/18/634258018.db2.gz CLXULTHNBKCZEI-UHFFFAOYSA-N 1 3 289.398 3.050 20 30 CGEDHO C=C(CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925636213 638551775 /nfs/dbraw/zinc/55/17/75/638551775.db2.gz RVBHGPASFCHTSU-HZPDHXFCSA-N 1 3 258.409 3.195 20 30 CGEDHO CCCCCCCC[C@@H](O)CN(CC)CCC[NH+](C)C ZINC001252134060 806019667 /nfs/dbraw/zinc/01/96/67/806019667.db2.gz UQWHTMFLFQYLTM-QGZVFWFLSA-N 1 3 286.504 3.372 20 30 CGEDHO C[N@H+]([C@@H]1CC[C@H](C#N)C1)C1CCN(C2CCCCC2)CC1 ZINC001254677236 806484311 /nfs/dbraw/zinc/48/43/11/806484311.db2.gz RKSBJUAQXQZUFS-MAUKXSAKSA-N 1 3 289.467 3.408 20 30 CGEDHO C[N@@H+]([C@@H]1CC[C@H](C#N)C1)C1CCN(C2CCCCC2)CC1 ZINC001254677236 806484315 /nfs/dbraw/zinc/48/43/15/806484315.db2.gz RKSBJUAQXQZUFS-MAUKXSAKSA-N 1 3 289.467 3.408 20 30 CGEDHO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000328109868 799249883 /nfs/dbraw/zinc/24/98/83/799249883.db2.gz NQBJTJJQPVORNJ-LBPRGKRZSA-N 1 3 282.790 3.085 20 30 CGEDHO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000328109868 799249887 /nfs/dbraw/zinc/24/98/87/799249887.db2.gz NQBJTJJQPVORNJ-LBPRGKRZSA-N 1 3 282.790 3.085 20 30 CGEDHO CCN(CC)CC[C@@H](C)[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001255948372 806793847 /nfs/dbraw/zinc/79/38/47/806793847.db2.gz KURAXQAMXUMXCK-KLAILNCOSA-N 1 3 277.456 3.313 20 30 CGEDHO C#CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716627531 800177690 /nfs/dbraw/zinc/17/76/90/800177690.db2.gz RFUAHZHRUKJRQF-ZCNNSNEGSA-N 1 3 296.458 3.433 20 30 CGEDHO C#CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716719017 800178647 /nfs/dbraw/zinc/17/86/47/800178647.db2.gz PYVFALPZQOQDCT-OTWHNJEPSA-N 1 3 282.431 3.043 20 30 CGEDHO C=CCCCCCC[C@@H](O)C[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001246026095 804099876 /nfs/dbraw/zinc/09/98/76/804099876.db2.gz ZHYSXSXTEFCQCG-MSOLQXFVSA-N 1 3 296.499 3.325 20 30 CGEDHO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001246026095 804099887 /nfs/dbraw/zinc/09/98/87/804099887.db2.gz ZHYSXSXTEFCQCG-MSOLQXFVSA-N 1 3 296.499 3.325 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN(C)CCC[NH3+] ZINC001246038375 804102248 /nfs/dbraw/zinc/10/22/48/804102248.db2.gz JWSINOXRWGRFEV-INIZCTEOSA-N 1 3 272.477 3.159 20 30 CGEDHO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCNC[C@H](C)C1 ZINC001246034254 804102796 /nfs/dbraw/zinc/10/27/96/804102796.db2.gz XAVFTLBUCUUKSD-ZWKOTPCHSA-N 1 3 298.515 3.419 20 30 CGEDHO CCCCCCCCCC[C@@H](O)C[N@H+]1CCNC[C@H](C)C1 ZINC001246034254 804102803 /nfs/dbraw/zinc/10/28/03/804102803.db2.gz XAVFTLBUCUUKSD-ZWKOTPCHSA-N 1 3 298.515 3.419 20 30 CGEDHO CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246032143 804102895 /nfs/dbraw/zinc/10/28/95/804102895.db2.gz RTGVLSZLKKMFJI-BRWVUGGUSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246032143 804102902 /nfs/dbraw/zinc/10/29/02/804102902.db2.gz RTGVLSZLKKMFJI-BRWVUGGUSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCC[C@@H](CC)[NH2+][C@H]1CNCC12CC2 ZINC001246136711 804160328 /nfs/dbraw/zinc/16/03/28/804160328.db2.gz XRJZBVLTIBGRAX-CABCVRRESA-N 1 3 252.446 3.467 20 30 CGEDHO CCCC[C@H]1C[C@@H]([NH2+]CCCCCCS)CCN1 ZINC001246464881 804345482 /nfs/dbraw/zinc/34/54/82/804345482.db2.gz HAVGAICHDZQEIP-GJZGRUSLSA-N 1 3 272.502 3.377 20 30 CGEDHO CCCCCCCCC[C@@H](C)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246628519 804458523 /nfs/dbraw/zinc/45/85/23/804458523.db2.gz ZZRUMKNXTZVNGI-KZNAEPCWSA-N 1 3 296.499 3.436 20 30 CGEDHO CN1C(C)(C)CC([NH+]2CCC(CC#N)CC2)CC1(C)C ZINC001171639485 808110875 /nfs/dbraw/zinc/11/08/75/808110875.db2.gz LXADVFIAHMHHTD-UHFFFAOYSA-N 1 3 277.456 3.263 20 30 CGEDHO C[C@H](CCCC#N)[NH+]1CCC(N2CCCCC2)CC1 ZINC001172491401 808352650 /nfs/dbraw/zinc/35/26/50/808352650.db2.gz NRQWZGISIADUKF-OAHLLOKOSA-N 1 3 263.429 3.019 20 30 CGEDHO C=CCOC1CCC([NH2+]CCCN(C)CCCC)CC1 ZINC001173313071 808607730 /nfs/dbraw/zinc/60/77/30/808607730.db2.gz RDXDJHXFCOVCGH-UHFFFAOYSA-N 1 3 282.472 3.212 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+](C)[C@H]2CCCC[C@@H]2N)CC1 ZINC001236211080 819372764 /nfs/dbraw/zinc/37/27/64/819372764.db2.gz GXBOAKGXCWGRNL-IKGGRYGDSA-N 1 3 262.441 3.491 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@H]2CCCC[C@@H]2N)CC1 ZINC001236211080 819372768 /nfs/dbraw/zinc/37/27/68/819372768.db2.gz GXBOAKGXCWGRNL-IKGGRYGDSA-N 1 3 262.441 3.491 20 30 CGEDHO C#CC[N@@H+](C[C@@H](N)CCC(C)(C)C)C1CCCCC1 ZINC001574637221 962314887 /nfs/dbraw/zinc/31/48/87/962314887.db2.gz KDRSVRMCZQGPLB-HNNXBMFYSA-N 1 3 264.457 3.408 20 30 CGEDHO C#CC[N@H+](C[C@@H](N)CCC(C)(C)C)C1CCCCC1 ZINC001574637221 962314909 /nfs/dbraw/zinc/31/49/09/962314909.db2.gz KDRSVRMCZQGPLB-HNNXBMFYSA-N 1 3 264.457 3.408 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCN(CCC)C2)C1 ZINC000651685690 398269142 /nfs/dbraw/zinc/26/91/42/398269142.db2.gz APSSAFKMTJUTCE-OWCLPIDISA-N 1 3 250.430 3.053 20 30 CGEDHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000591570979 346929352 /nfs/dbraw/zinc/92/93/52/346929352.db2.gz NQYHZHASJANZDI-OLZOCXBDSA-N 1 3 294.402 3.132 20 30 CGEDHO C=CCCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000157169445 346160702 /nfs/dbraw/zinc/16/07/02/346160702.db2.gz ZQSMQZPEMABIJN-MRXNPFEDSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCC[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000157169445 346160704 /nfs/dbraw/zinc/16/07/04/346160704.db2.gz ZQSMQZPEMABIJN-MRXNPFEDSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCC[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000157169445 346160707 /nfs/dbraw/zinc/16/07/07/346160707.db2.gz ZQSMQZPEMABIJN-MRXNPFEDSA-N 1 3 250.430 3.006 20 30 CGEDHO CC(C)(C#N)c1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000594493062 347177506 /nfs/dbraw/zinc/17/75/06/347177506.db2.gz FXPBXXTWSMZYCL-UHFFFAOYSA-N 1 3 299.462 3.453 20 30 CGEDHO C=CCCSCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000596650171 347498279 /nfs/dbraw/zinc/49/82/79/347498279.db2.gz INMLMRDHRWBUTF-OWCLPIDISA-N 1 3 282.497 3.196 20 30 CGEDHO C=CCC[C@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1CC1 ZINC000635006936 351625678 /nfs/dbraw/zinc/62/56/78/351625678.db2.gz NDCHTFVZQPROOU-ROUUACIJSA-N 1 3 272.436 3.281 20 30 CGEDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248921168 377429495 /nfs/dbraw/zinc/42/94/95/377429495.db2.gz WRHGDBDJPWCFNW-ZACQAIPSSA-N 1 3 277.456 3.026 20 30 CGEDHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248921168 377429503 /nfs/dbraw/zinc/42/95/03/377429503.db2.gz WRHGDBDJPWCFNW-ZACQAIPSSA-N 1 3 277.456 3.026 20 30 CGEDHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248921168 377429508 /nfs/dbraw/zinc/42/95/08/377429508.db2.gz WRHGDBDJPWCFNW-ZACQAIPSSA-N 1 3 277.456 3.026 20 30 CGEDHO CC[N@@H+]1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000341707613 377614290 /nfs/dbraw/zinc/61/42/90/377614290.db2.gz NGQFEDXVEKQCEO-ZOCIIQOWSA-N 1 3 297.446 3.256 20 30 CGEDHO CC[N@H+]1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000341707613 377614298 /nfs/dbraw/zinc/61/42/98/377614298.db2.gz NGQFEDXVEKQCEO-ZOCIIQOWSA-N 1 3 297.446 3.256 20 30 CGEDHO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000579915271 378206901 /nfs/dbraw/zinc/20/69/01/378206901.db2.gz PPKVXDBNQBHEML-CVEARBPZSA-N 1 3 252.446 3.441 20 30 CGEDHO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000579915273 378207112 /nfs/dbraw/zinc/20/71/12/378207112.db2.gz PPKVXDBNQBHEML-HZPDHXFCSA-N 1 3 252.446 3.441 20 30 CGEDHO CC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000423282094 393659347 /nfs/dbraw/zinc/65/93/47/393659347.db2.gz UVXMDHCSEPBYTE-IXDOHACOSA-N 1 3 271.408 3.116 20 30 CGEDHO Cc1cc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1C#N ZINC000443997486 393781181 /nfs/dbraw/zinc/78/11/81/393781181.db2.gz RFRLTRCOJKEQSE-KRWDZBQOSA-N 1 3 287.451 3.323 20 30 CGEDHO C=CCOCCC[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000658210924 419661273 /nfs/dbraw/zinc/66/12/73/419661273.db2.gz YTCZOQDZPPERQA-SJLPKXTDSA-N 1 3 294.483 3.212 20 30 CGEDHO C=CCOCCCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000658210924 419661278 /nfs/dbraw/zinc/66/12/78/419661278.db2.gz YTCZOQDZPPERQA-SJLPKXTDSA-N 1 3 294.483 3.212 20 30 CGEDHO C[C@@H](N[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424318601 330339951 /nfs/dbraw/zinc/33/99/51/330339951.db2.gz DAJBXPMWTXSQOB-XGXHKWSGSA-N 1 3 297.446 3.179 20 30 CGEDHO C[C@@H](N[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424318601 330339952 /nfs/dbraw/zinc/33/99/52/330339952.db2.gz DAJBXPMWTXSQOB-XGXHKWSGSA-N 1 3 297.446 3.179 20 30 CGEDHO CC(C)[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000185776550 333148533 /nfs/dbraw/zinc/14/85/33/333148533.db2.gz KYEUNDGDCLWWIE-RCCFBDPRSA-N 1 3 291.483 3.415 20 30 CGEDHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000174431352 335154429 /nfs/dbraw/zinc/15/44/29/335154429.db2.gz GHZVYGOMMZWMDA-HNNXBMFYSA-N 1 3 293.414 3.471 20 30 CGEDHO CC[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(C#N)cc1 ZINC000423388351 529184785 /nfs/dbraw/zinc/18/47/85/529184785.db2.gz NLMVIIJTFWMTSP-LJQANCHMSA-N 1 3 291.398 3.402 20 30 CGEDHO N#CC1(CCCC[N@H+]2CCCC[C@H]2CCN)CCC1 ZINC000903749162 621799612 /nfs/dbraw/zinc/79/96/12/621799612.db2.gz GMSOGXKDOVAVTH-HNNXBMFYSA-N 1 3 263.429 3.054 20 30 CGEDHO N#CC1(CCCC[N@@H+]2CCCC[C@H]2CCN)CCC1 ZINC000903749162 621799618 /nfs/dbraw/zinc/79/96/18/621799618.db2.gz GMSOGXKDOVAVTH-HNNXBMFYSA-N 1 3 263.429 3.054 20 30 CGEDHO N#CC1(CCCCN2CCCC[C@H]2CC[NH3+])CCC1 ZINC000903749162 621799624 /nfs/dbraw/zinc/79/96/24/621799624.db2.gz GMSOGXKDOVAVTH-HNNXBMFYSA-N 1 3 263.429 3.054 20 30 CGEDHO N#CC1(CCCCN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000903739960 621800969 /nfs/dbraw/zinc/80/09/69/621800969.db2.gz BRFVZFVIHPUAMA-IRXDYDNUSA-N 1 3 289.467 3.315 20 30 CGEDHO C=CC[NH+]1CCC(NCc2cnc3c(F)cccc3c2)CC1 ZINC000865453724 630131760 /nfs/dbraw/zinc/13/17/60/630131760.db2.gz IXPSGVJZLIVDGS-UHFFFAOYSA-N 1 3 299.393 3.114 20 30 CGEDHO C#C[C@H](N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000809684417 630779702 /nfs/dbraw/zinc/77/97/02/630779702.db2.gz BEYMDRCHAPJCQL-QRQLOZEOSA-N 1 3 284.447 3.144 20 30 CGEDHO C#C[C@H](N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000809684417 630779709 /nfs/dbraw/zinc/77/97/09/630779709.db2.gz BEYMDRCHAPJCQL-QRQLOZEOSA-N 1 3 284.447 3.144 20 30 CGEDHO C#CCCCCCC[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000877020259 634952577 /nfs/dbraw/zinc/95/25/77/634952577.db2.gz NCAHGMNXJZSPDM-KRWDZBQOSA-N 1 3 264.457 3.280 20 30 CGEDHO CCCCCCCC[C@H](O)CNCCC[NH+](CC)CC ZINC001252120126 806005819 /nfs/dbraw/zinc/00/58/19/806005819.db2.gz NVAHKAAHSFAPAV-KRWDZBQOSA-N 1 3 286.504 3.419 20 30 CGEDHO C#C[C@@H](CC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716721309 800178501 /nfs/dbraw/zinc/17/85/01/800178501.db2.gz ZXZINZVTJHSOKR-OKYOBFRVSA-N 1 3 282.431 3.041 20 30 CGEDHO CCCCCCCC[C@H](N)C(=O)Nc1ccccc1C[NH3+] ZINC001122432960 802870770 /nfs/dbraw/zinc/87/07/70/802870770.db2.gz FMDSTWLESRRIDU-HNNXBMFYSA-N 1 3 291.439 3.162 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@H]1CCC[C@@H]1[NH3+] ZINC001245996491 804095073 /nfs/dbraw/zinc/09/50/73/804095073.db2.gz VQFMRDWWMMLTPP-ULQDDVLXSA-N 1 3 284.488 3.348 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001245999301 804096614 /nfs/dbraw/zinc/09/66/14/804096614.db2.gz DVYLGZSMAUVDPZ-VSZNYVQBSA-N 1 3 296.499 3.076 20 30 CGEDHO C#Cc1ccc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246267930 804248693 /nfs/dbraw/zinc/24/86/93/804248693.db2.gz UDKDOLWVCQTFFO-PMACEKPBSA-N 1 3 290.410 3.251 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@H](C)[C@H](CN)C3)C[C@H](C1)C2 ZINC001246551986 804402331 /nfs/dbraw/zinc/40/23/31/804402331.db2.gz OBJQYUWGQSHGTM-LADIWZGKSA-N 1 3 262.441 3.038 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@H](C)[C@H](CN)C3)C[C@H](C1)C2 ZINC001246551986 804402336 /nfs/dbraw/zinc/40/23/36/804402336.db2.gz OBJQYUWGQSHGTM-LADIWZGKSA-N 1 3 262.441 3.038 20 30 CGEDHO CCCCCCC[C@@H](C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629286 804460662 /nfs/dbraw/zinc/46/06/62/804460662.db2.gz YMVKZTVJBKAEDX-OWCLPIDISA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@@H](C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629286 804460665 /nfs/dbraw/zinc/46/06/65/804460665.db2.gz YMVKZTVJBKAEDX-OWCLPIDISA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@H](CCC)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246653930 804480329 /nfs/dbraw/zinc/48/03/29/804480329.db2.gz CNPVNVNXDQWTPN-CAOSSQGBSA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCC[C@H](CCC)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246653930 804480331 /nfs/dbraw/zinc/48/03/31/804480331.db2.gz CNPVNVNXDQWTPN-CAOSSQGBSA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCCCC[C@@H](C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246660690 804484209 /nfs/dbraw/zinc/48/42/09/804484209.db2.gz IYKJUMQSSRIWAI-LVQVYYBASA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246660690 804484212 /nfs/dbraw/zinc/48/42/12/804484212.db2.gz IYKJUMQSSRIWAI-LVQVYYBASA-N 1 3 252.446 3.405 20 30 CGEDHO C=CCNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168022502 807300887 /nfs/dbraw/zinc/30/08/87/807300887.db2.gz SMUZZWGMWMSTII-HUUCEWRRSA-N 1 3 258.409 3.204 20 30 CGEDHO C[C@H](Cc1cccc(C#N)c1)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001171180484 808001785 /nfs/dbraw/zinc/00/17/85/808001785.db2.gz ATAKVVXDYFSFGT-CQSZACIVSA-N 1 3 299.462 3.470 20 30 CGEDHO C[C@H](Cc1cccc(C#N)c1)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001171180484 808001789 /nfs/dbraw/zinc/00/17/89/808001789.db2.gz ATAKVVXDYFSFGT-CQSZACIVSA-N 1 3 299.462 3.470 20 30 CGEDHO CC1(C#N)CCC([N@H+](CCCN)C2CCCCC2)CC1 ZINC001173584908 808646416 /nfs/dbraw/zinc/64/64/16/808646416.db2.gz QQVKTKPEXFQADT-UHFFFAOYSA-N 1 3 277.456 3.442 20 30 CGEDHO CC1(C#N)CCC([N@@H+](CCCN)C2CCCCC2)CC1 ZINC001173584908 808646418 /nfs/dbraw/zinc/64/64/18/808646418.db2.gz QQVKTKPEXFQADT-UHFFFAOYSA-N 1 3 277.456 3.442 20 30 CGEDHO CCc1cc(CN2CCC3(CC[N@H+](C)C3)CC2)ccc1C#N ZINC001278037921 809113223 /nfs/dbraw/zinc/11/32/23/809113223.db2.gz UPVFGQRUMWOEMH-UHFFFAOYSA-N 1 3 297.446 3.038 20 30 CGEDHO CCc1cc(CN2CCC3(CC[N@@H+](C)C3)CC2)ccc1C#N ZINC001278037921 809113228 /nfs/dbraw/zinc/11/32/28/809113228.db2.gz UPVFGQRUMWOEMH-UHFFFAOYSA-N 1 3 297.446 3.038 20 30 CGEDHO C[C@@H]1CCN(Cc2cc(C#N)ccc2Cl)CC[C@@H]1C[NH3+] ZINC001205627644 813033637 /nfs/dbraw/zinc/03/36/37/813033637.db2.gz RFKQQNKPGGXPIT-TZMCWYRMSA-N 1 3 291.826 3.018 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206153769 813216157 /nfs/dbraw/zinc/21/61/57/813216157.db2.gz FNGKDBVONFWEIE-OWCLPIDISA-N 1 3 266.404 3.050 20 30 CGEDHO C=CCCCCC[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001209433232 814035624 /nfs/dbraw/zinc/03/56/24/814035624.db2.gz RYJXZKHLDRYEEZ-HZPDHXFCSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCCCCCN1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001209433232 814035628 /nfs/dbraw/zinc/03/56/28/814035628.db2.gz RYJXZKHLDRYEEZ-HZPDHXFCSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235361954 819077801 /nfs/dbraw/zinc/07/78/01/819077801.db2.gz GHODINQNMZATQV-RTBURBONSA-N 1 3 284.447 3.206 20 30 CGEDHO C=CCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235361954 819077803 /nfs/dbraw/zinc/07/78/03/819077803.db2.gz GHODINQNMZATQV-RTBURBONSA-N 1 3 284.447 3.206 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001462661831 937657748 /nfs/dbraw/zinc/65/77/48/937657748.db2.gz CCDVLSVZWNDLPK-CAOSSQGBSA-N 1 3 250.430 3.051 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN(CCC)C2)C1 ZINC000651685689 398269009 /nfs/dbraw/zinc/26/90/09/398269009.db2.gz APSSAFKMTJUTCE-OAGGEKHMSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000623657411 349859671 /nfs/dbraw/zinc/85/96/71/349859671.db2.gz QBDVMVUARQMYRO-OAGGEKHMSA-N 1 3 250.430 3.053 20 30 CGEDHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000593320707 347062104 /nfs/dbraw/zinc/06/21/04/347062104.db2.gz DNUYLZBLNNJXGS-AWEZNQCLSA-N 1 3 279.387 3.128 20 30 CGEDHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606532 347202308 /nfs/dbraw/zinc/20/23/08/347202308.db2.gz IPBATKNSIYBFQP-CRAIPNDOSA-N 1 3 299.462 3.260 20 30 CGEDHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606532 347202312 /nfs/dbraw/zinc/20/23/12/347202312.db2.gz IPBATKNSIYBFQP-CRAIPNDOSA-N 1 3 299.462 3.260 20 30 CGEDHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606539 347202439 /nfs/dbraw/zinc/20/24/39/347202439.db2.gz IPBATKNSIYBFQP-YJBOKZPZSA-N 1 3 299.462 3.260 20 30 CGEDHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606539 347202440 /nfs/dbraw/zinc/20/24/40/347202440.db2.gz IPBATKNSIYBFQP-YJBOKZPZSA-N 1 3 299.462 3.260 20 30 CGEDHO C=CCN(Cc1ccc(Cl)s1)CC1CC[NH2+]CC1 ZINC000178955924 189157237 /nfs/dbraw/zinc/15/72/37/189157237.db2.gz CDLCIRZGUDBPLT-UHFFFAOYSA-N 1 3 284.856 3.389 20 30 CGEDHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cccc(C#N)c1 ZINC000067691482 369726107 /nfs/dbraw/zinc/72/61/07/369726107.db2.gz IFPVEMBPYFBNMZ-MRXNPFEDSA-N 1 3 285.435 3.302 20 30 CGEDHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cccc(C#N)c1 ZINC000067691482 369726114 /nfs/dbraw/zinc/72/61/14/369726114.db2.gz IFPVEMBPYFBNMZ-MRXNPFEDSA-N 1 3 285.435 3.302 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2cc(C)cc(C)c2)CC1 ZINC000106245370 370351182 /nfs/dbraw/zinc/35/11/82/370351182.db2.gz UPAUYIUSRIPYHV-UHFFFAOYSA-N 1 3 272.436 3.434 20 30 CGEDHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCC1(CC#N)CC1 ZINC000430017203 372381152 /nfs/dbraw/zinc/38/11/52/372381152.db2.gz AGCCEUZOCGYSGX-UHFFFAOYSA-N 1 3 299.462 3.428 20 30 CGEDHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCC1(CC#N)CC1 ZINC000430017203 372381158 /nfs/dbraw/zinc/38/11/58/372381158.db2.gz AGCCEUZOCGYSGX-UHFFFAOYSA-N 1 3 299.462 3.428 20 30 CGEDHO C=CCC[C@@H](CC)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000162868434 372428326 /nfs/dbraw/zinc/42/83/26/372428326.db2.gz FVCNEOFYCHCRJT-IXDOHACOSA-N 1 3 282.472 3.210 20 30 CGEDHO C=CCC[C@H](CC)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000162868303 372428710 /nfs/dbraw/zinc/42/87/10/372428710.db2.gz FVCNEOFYCHCRJT-BBWFWOEESA-N 1 3 282.472 3.210 20 30 CGEDHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[C@H](C#N)C2)C1 ZINC000442793832 373084011 /nfs/dbraw/zinc/08/40/11/373084011.db2.gz SDYPMTPWBAWCJC-OWCLPIDISA-N 1 3 277.456 3.169 20 30 CGEDHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[C@H](C#N)C2)C1 ZINC000442793832 373084021 /nfs/dbraw/zinc/08/40/21/373084021.db2.gz SDYPMTPWBAWCJC-OWCLPIDISA-N 1 3 277.456 3.169 20 30 CGEDHO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000530215058 375939641 /nfs/dbraw/zinc/93/96/41/375939641.db2.gz ZPVHEYJWRAXMKH-HRCADAONSA-N 1 3 264.457 3.489 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC[C@H]1CCCCN1C ZINC000249281885 377487023 /nfs/dbraw/zinc/48/70/23/377487023.db2.gz NTXRIONJEIZIGP-MAUKXSAKSA-N 1 3 285.435 3.425 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H]1CCCCN1C ZINC000249281885 377487028 /nfs/dbraw/zinc/48/70/28/377487028.db2.gz NTXRIONJEIZIGP-MAUKXSAKSA-N 1 3 285.435 3.425 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000579915272 378207447 /nfs/dbraw/zinc/20/74/47/378207447.db2.gz PPKVXDBNQBHEML-HOTGVXAUSA-N 1 3 252.446 3.441 20 30 CGEDHO C=C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354193590 380360071 /nfs/dbraw/zinc/36/00/71/380360071.db2.gz ZWWOMEZGABWLAD-MIGBEJBISA-N 1 3 270.420 3.346 20 30 CGEDHO C=C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354193590 380360076 /nfs/dbraw/zinc/36/00/76/380360076.db2.gz ZWWOMEZGABWLAD-MIGBEJBISA-N 1 3 270.420 3.346 20 30 CGEDHO C[C@H](CCC#N)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000411740530 392986723 /nfs/dbraw/zinc/98/67/23/392986723.db2.gz CCIUJJFZDHKOLR-QRQLOZEOSA-N 1 3 297.446 3.133 20 30 CGEDHO C[C@H](CCC#N)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000411740530 392986728 /nfs/dbraw/zinc/98/67/28/392986728.db2.gz CCIUJJFZDHKOLR-QRQLOZEOSA-N 1 3 297.446 3.133 20 30 CGEDHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000360948994 393622050 /nfs/dbraw/zinc/62/20/50/393622050.db2.gz YAMNXHGVSCLOME-JKSUJKDBSA-N 1 3 265.445 3.170 20 30 CGEDHO C=CC[C@H](C)[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000178035895 329191628 /nfs/dbraw/zinc/19/16/28/329191628.db2.gz FOIFXXALMFQBNN-QAETUUGQSA-N 1 3 282.472 3.066 20 30 CGEDHO CC#CCCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000482166047 331826435 /nfs/dbraw/zinc/82/64/35/331826435.db2.gz SSQGEHIQHHXYHL-DOTOQJQBSA-N 1 3 262.441 3.033 20 30 CGEDHO C=CCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000385866804 336158137 /nfs/dbraw/zinc/15/81/37/336158137.db2.gz XXZGPQHOXFAVJV-HRCADAONSA-N 1 3 250.430 3.243 20 30 CGEDHO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC[C@@H]1CCCCN1C ZINC000075859901 526036174 /nfs/dbraw/zinc/03/61/74/526036174.db2.gz LURPHTDDLHRGHY-YJBOKZPZSA-N 1 3 285.435 3.425 20 30 CGEDHO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000075859901 526036184 /nfs/dbraw/zinc/03/61/84/526036184.db2.gz LURPHTDDLHRGHY-YJBOKZPZSA-N 1 3 285.435 3.425 20 30 CGEDHO CC[C@@H]([NH2+]CC(N)(CC)CC)c1ccc(C#N)cc1 ZINC000423286928 529156558 /nfs/dbraw/zinc/15/65/58/529156558.db2.gz JMHNGSRSLYIUMF-OAHLLOKOSA-N 1 3 259.397 3.116 20 30 CGEDHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000924958241 619461534 /nfs/dbraw/zinc/46/15/34/619461534.db2.gz DMCCAAVKLYLWNN-HUUCEWRRSA-N 1 3 265.445 3.025 20 30 CGEDHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000924958241 619461536 /nfs/dbraw/zinc/46/15/36/619461536.db2.gz DMCCAAVKLYLWNN-HUUCEWRRSA-N 1 3 265.445 3.025 20 30 CGEDHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000924958241 619461538 /nfs/dbraw/zinc/46/15/38/619461538.db2.gz DMCCAAVKLYLWNN-HUUCEWRRSA-N 1 3 265.445 3.025 20 30 CGEDHO C=CCOc1ccc(CNCc2ccc(CC[NH3+])cc2)cc1 ZINC000841036139 620435363 /nfs/dbraw/zinc/43/53/63/620435363.db2.gz PBNQDDYLXROMRZ-UHFFFAOYSA-N 1 3 296.414 3.042 20 30 CGEDHO C=CCC[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000903378880 621721635 /nfs/dbraw/zinc/72/16/35/621721635.db2.gz FCBIQYNVMGBHQF-MSOLQXFVSA-N 1 3 287.451 3.409 20 30 CGEDHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903713592 621798159 /nfs/dbraw/zinc/79/81/59/621798159.db2.gz XBMWEVNTCXSJKZ-CABCVRRESA-N 1 3 263.429 3.052 20 30 CGEDHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903713592 621798161 /nfs/dbraw/zinc/79/81/61/621798161.db2.gz XBMWEVNTCXSJKZ-CABCVRRESA-N 1 3 263.429 3.052 20 30 CGEDHO C#C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000809685510 626767770 /nfs/dbraw/zinc/76/77/70/626767770.db2.gz XMDFREPYEDCAGA-QRQLOZEOSA-N 1 3 284.447 3.287 20 30 CGEDHO C#C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000809685510 626767773 /nfs/dbraw/zinc/76/77/73/626767773.db2.gz XMDFREPYEDCAGA-QRQLOZEOSA-N 1 3 284.447 3.287 20 30 CGEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](N)CC)cc1 ZINC000817979723 632269901 /nfs/dbraw/zinc/26/99/01/632269901.db2.gz NSLYYNVLSHSYFR-OCCSQVGLSA-N 1 3 282.815 3.206 20 30 CGEDHO C=CCCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925639447 638552625 /nfs/dbraw/zinc/55/26/25/638552625.db2.gz BUVOMVOEAAPXGF-HZPDHXFCSA-N 1 3 250.430 3.101 20 30 CGEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000929848344 638957064 /nfs/dbraw/zinc/95/70/64/638957064.db2.gz QYYFJZVXULXCBR-IEBWSBKVSA-N 1 3 297.446 3.091 20 30 CGEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000929848344 638957066 /nfs/dbraw/zinc/95/70/66/638957066.db2.gz QYYFJZVXULXCBR-IEBWSBKVSA-N 1 3 297.446 3.091 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCCC[N@@H+]1CCCC[C@H]1C ZINC000695837319 799835471 /nfs/dbraw/zinc/83/54/71/799835471.db2.gz QPKWLIVVJGUAKM-HUUCEWRRSA-N 1 3 265.445 3.169 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCCC[N@H+]1CCCC[C@H]1C ZINC000695837319 799835477 /nfs/dbraw/zinc/83/54/77/799835477.db2.gz QPKWLIVVJGUAKM-HUUCEWRRSA-N 1 3 265.445 3.169 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@]1(C)CCCC[NH2+]C1 ZINC001245990403 804095605 /nfs/dbraw/zinc/09/56/05/804095605.db2.gz IVXZYZXEHUZTRT-ZWKOTPCHSA-N 1 3 298.515 3.467 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN(C)C[C@H]1CC[NH2+]C1 ZINC001246042672 804103039 /nfs/dbraw/zinc/10/30/39/804103039.db2.gz CYEBBLVQJQOXNF-ROUUACIJSA-N 1 3 298.515 3.419 20 30 CGEDHO CCCCCCCC[C@@H](O)C[N@H+](CC)C1CCNCC1 ZINC001246059032 804104235 /nfs/dbraw/zinc/10/42/35/804104235.db2.gz XPOARYZVQDCVPL-QGZVFWFLSA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@@H](O)C[N@@H+](CC)C1CCNCC1 ZINC001246059032 804104239 /nfs/dbraw/zinc/10/42/39/804104239.db2.gz XPOARYZVQDCVPL-QGZVFWFLSA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@@H](O)CN(CC)C1CC[NH2+]CC1 ZINC001246059032 804104245 /nfs/dbraw/zinc/10/42/45/804104245.db2.gz XPOARYZVQDCVPL-QGZVFWFLSA-N 1 3 284.488 3.172 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@H]1N ZINC001246068610 804108788 /nfs/dbraw/zinc/10/87/88/804108788.db2.gz WFIINFKXRBQJSM-BBWFWOEESA-N 1 3 282.472 3.076 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1N ZINC001246068610 804108790 /nfs/dbraw/zinc/10/87/90/804108790.db2.gz WFIINFKXRBQJSM-BBWFWOEESA-N 1 3 282.472 3.076 20 30 CGEDHO CCCCCCCCC[C@@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246446416 804336309 /nfs/dbraw/zinc/33/63/09/804336309.db2.gz SRSZXPYVXNOMDW-CABCVRRESA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCCCC[C@@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246446416 804336318 /nfs/dbraw/zinc/33/63/18/804336318.db2.gz SRSZXPYVXNOMDW-CABCVRRESA-N 1 3 252.446 3.467 20 30 CGEDHO C[C@H]1CC[C@@H](C[NH3+])N1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246539053 804388596 /nfs/dbraw/zinc/38/85/96/804388596.db2.gz AICMZEIFXVLMOG-BARLLCKDSA-N 1 3 297.446 3.202 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](CN)[C@H]3C)C[C@H](C1)C2 ZINC001246568149 804415545 /nfs/dbraw/zinc/41/55/45/804415545.db2.gz ZQZPKOCSVQNEPI-VDWCLKJHSA-N 1 3 262.441 3.181 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CCC[C@H](CN)[C@H]3C)C[C@H](C1)C2 ZINC001246568149 804415547 /nfs/dbraw/zinc/41/55/47/804415547.db2.gz ZQZPKOCSVQNEPI-VDWCLKJHSA-N 1 3 262.441 3.181 20 30 CGEDHO C=CCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168022503 807300785 /nfs/dbraw/zinc/30/07/85/807300785.db2.gz SMUZZWGMWMSTII-SCAQPMJSSA-N 1 3 258.409 3.204 20 30 CGEDHO C=CCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168022503 807300794 /nfs/dbraw/zinc/30/07/94/807300794.db2.gz SMUZZWGMWMSTII-SCAQPMJSSA-N 1 3 258.409 3.204 20 30 CGEDHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173325299 808612573 /nfs/dbraw/zinc/61/25/73/808612573.db2.gz GYRBDONBLXMVRW-OQSMONGASA-N 1 3 291.483 3.416 20 30 CGEDHO CC1([NH+]2CCCC2)CCN(C2CCC(CC#N)CC2)CC1 ZINC001173341217 808621722 /nfs/dbraw/zinc/62/17/22/808621722.db2.gz SNTSKANVJNLSFF-UHFFFAOYSA-N 1 3 289.467 3.409 20 30 CGEDHO CC1(C#N)CCC(N2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001173590787 808648214 /nfs/dbraw/zinc/64/82/14/808648214.db2.gz CGVNTNIWPRGHGZ-UHFFFAOYSA-N 1 3 297.446 3.409 20 30 CGEDHO CCCCCCC/C=C/CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205131380 812880963 /nfs/dbraw/zinc/88/09/63/812880963.db2.gz WSYXCVOXJCGSHQ-DMGQIGSTSA-N 1 3 252.446 3.430 20 30 CGEDHO C=CCCCCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033226 818983926 /nfs/dbraw/zinc/98/39/26/818983926.db2.gz VSUQRYPJRSYFHS-INIZCTEOSA-N 1 3 250.430 3.198 20 30 CGEDHO C=CCCCCCCCC[N@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235166810 819021205 /nfs/dbraw/zinc/02/12/05/819021205.db2.gz WBGPSQQWLKAKKS-JKSUJKDBSA-N 1 3 250.430 3.326 20 30 CGEDHO C=CCCCCCCCC[N@@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235166810 819021210 /nfs/dbraw/zinc/02/12/10/819021210.db2.gz WBGPSQQWLKAKKS-JKSUJKDBSA-N 1 3 250.430 3.326 20 30 CGEDHO C=CCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235361953 819078021 /nfs/dbraw/zinc/07/80/21/819078021.db2.gz GHODINQNMZATQV-RBUKOAKNSA-N 1 3 284.447 3.206 20 30 CGEDHO C=CCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235361953 819078025 /nfs/dbraw/zinc/07/80/25/819078025.db2.gz GHODINQNMZATQV-RBUKOAKNSA-N 1 3 284.447 3.206 20 30 CGEDHO C=CCN(Cc1ccccc1)Cc1cccc(C[NH3+])c1 ZINC001235963769 819252629 /nfs/dbraw/zinc/25/26/29/819252629.db2.gz ZZUUGLVLTNRZPG-UHFFFAOYSA-N 1 3 266.388 3.334 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+](C)[C@@H]2CCCC[C@H]2N)CC1 ZINC001236211078 819372096 /nfs/dbraw/zinc/37/20/96/819372096.db2.gz GXBOAKGXCWGRNL-BRWVUGGUSA-N 1 3 262.441 3.491 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@@H]2CCCC[C@H]2N)CC1 ZINC001236211078 819372101 /nfs/dbraw/zinc/37/21/01/819372101.db2.gz GXBOAKGXCWGRNL-BRWVUGGUSA-N 1 3 262.441 3.491 20 30 CGEDHO C=CCOc1cccc(CN(CCC)C[C@@H]2CC[NH2+]C2)c1 ZINC001236842197 819618065 /nfs/dbraw/zinc/61/80/65/819618065.db2.gz BSSOBZWDFMUBNB-QGZVFWFLSA-N 1 3 288.435 3.073 20 30 CGEDHO [NH3+]CCC[C@@H](NCC#Cc1ccccc1)c1ccccc1 ZINC001580289906 962704691 /nfs/dbraw/zinc/70/46/91/962704691.db2.gz WMTWVKWLYQPBCG-LJQANCHMSA-N 1 3 278.399 3.108 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCN(CCC)C2)C1 ZINC000651685688 398269164 /nfs/dbraw/zinc/26/91/64/398269164.db2.gz APSSAFKMTJUTCE-BZUAXINKSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000623657412 349859781 /nfs/dbraw/zinc/85/97/81/349859781.db2.gz QBDVMVUARQMYRO-OWCLPIDISA-N 1 3 250.430 3.053 20 30 CGEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000601289550 347889472 /nfs/dbraw/zinc/88/94/72/347889472.db2.gz OOLYVHQEUKAQSC-OQIJWPOYSA-N 1 3 297.446 3.036 20 30 CGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000601289550 347889473 /nfs/dbraw/zinc/88/94/73/347889473.db2.gz OOLYVHQEUKAQSC-OQIJWPOYSA-N 1 3 297.446 3.036 20 30 CGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000601289550 347889475 /nfs/dbraw/zinc/88/94/75/347889475.db2.gz OOLYVHQEUKAQSC-OQIJWPOYSA-N 1 3 297.446 3.036 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121043 349978993 /nfs/dbraw/zinc/97/89/93/349978993.db2.gz MNMZJHAEICUMGU-HOTGVXAUSA-N 1 3 252.446 3.443 20 30 CGEDHO N#CCC1(CN2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000602762524 348024757 /nfs/dbraw/zinc/02/47/57/348024757.db2.gz LGSUCUCJCNEISR-UHFFFAOYSA-N 1 3 289.467 3.268 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000611390122 348444351 /nfs/dbraw/zinc/44/43/51/348444351.db2.gz CVSCZISJKILOEY-SFHVURJKSA-N 1 3 283.419 3.011 20 30 CGEDHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000181699856 189304307 /nfs/dbraw/zinc/30/43/07/189304307.db2.gz MYUFMWTXMDHLHQ-RDJZCZTQSA-N 1 3 285.435 3.329 20 30 CGEDHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccc(C#N)c1 ZINC000423093926 371959059 /nfs/dbraw/zinc/95/90/59/371959059.db2.gz APWHBUVKEFCWDJ-QAPCUYQASA-N 1 3 285.435 3.001 20 30 CGEDHO N#C[C@H]1CC[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000442641186 373061918 /nfs/dbraw/zinc/06/19/18/373061918.db2.gz CTXXGAVEPXPNBN-ZWKOTPCHSA-N 1 3 283.419 3.064 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442722663 373069529 /nfs/dbraw/zinc/06/95/29/373069529.db2.gz XXYBOFCHALXAKO-QKPAOTATSA-N 1 3 277.456 3.025 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442722663 373069536 /nfs/dbraw/zinc/06/95/36/373069536.db2.gz XXYBOFCHALXAKO-QKPAOTATSA-N 1 3 277.456 3.025 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000595504621 378401613 /nfs/dbraw/zinc/40/16/13/378401613.db2.gz KQUOEPOKEPHGJX-YJBOKZPZSA-N 1 3 283.419 3.037 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000595504621 378401618 /nfs/dbraw/zinc/40/16/18/378401618.db2.gz KQUOEPOKEPHGJX-YJBOKZPZSA-N 1 3 283.419 3.037 20 30 CGEDHO C[C@@H]1C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000341693922 392990043 /nfs/dbraw/zinc/99/00/43/392990043.db2.gz HQSKJOMEOYNEFJ-MZMPZRCHSA-N 1 3 283.419 3.008 20 30 CGEDHO C[C@@H]1C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000341693922 392990050 /nfs/dbraw/zinc/99/00/50/392990050.db2.gz HQSKJOMEOYNEFJ-MZMPZRCHSA-N 1 3 283.419 3.008 20 30 CGEDHO C=CCC1(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CCCC1 ZINC000449605126 393917985 /nfs/dbraw/zinc/91/79/85/393917985.db2.gz MCFMXMKHHMCURA-HOTGVXAUSA-N 1 3 262.441 3.339 20 30 CGEDHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1ccc(C#N)cc1F ZINC000453419376 394241021 /nfs/dbraw/zinc/24/10/21/394241021.db2.gz YYDSALXZYFXRLC-CYBMUJFWSA-N 1 3 289.398 3.222 20 30 CGEDHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1ccc(C#N)cc1F ZINC000453419376 394241023 /nfs/dbraw/zinc/24/10/23/394241023.db2.gz YYDSALXZYFXRLC-CYBMUJFWSA-N 1 3 289.398 3.222 20 30 CGEDHO N#CCCCC[NH2+][C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000180163593 261843601 /nfs/dbraw/zinc/84/36/01/261843601.db2.gz LBKWXSMZWFVPFN-QRVBRYPASA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000052205648 278348432 /nfs/dbraw/zinc/34/84/32/278348432.db2.gz LOZMUVUEGLFARY-RHSMWYFYSA-N 1 3 271.408 3.083 20 30 CGEDHO C=CCOc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1Cl ZINC000491543298 332233754 /nfs/dbraw/zinc/23/37/54/332233754.db2.gz GKZRQMQCTRQTKZ-ZDUSSCGKSA-N 1 3 296.842 3.192 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC[C@@H]1CCCCN1C ZINC000075859902 526044026 /nfs/dbraw/zinc/04/40/26/526044026.db2.gz LURPHTDDLHRGHY-QAPCUYQASA-N 1 3 285.435 3.425 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000075859902 526044030 /nfs/dbraw/zinc/04/40/30/526044030.db2.gz LURPHTDDLHRGHY-QAPCUYQASA-N 1 3 285.435 3.425 20 30 CGEDHO C=CCCCCC[C@@H](C)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790966 619249961 /nfs/dbraw/zinc/24/99/61/619249961.db2.gz JVEWJJLTXHVKSB-SJORKVTESA-N 1 3 294.483 3.260 20 30 CGEDHO C[C@H](NC1CCC(C)([NH+]2CCC2)CC1)c1cc(C#N)ccn1 ZINC000927040133 620567153 /nfs/dbraw/zinc/56/71/53/620567153.db2.gz XMSKPLQJXAFJMQ-NXVRBGIVSA-N 1 3 298.434 3.011 20 30 CGEDHO N#CCCCN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902373400 621278380 /nfs/dbraw/zinc/27/83/80/621278380.db2.gz DDUBBRWEJOVUMF-OAHLLOKOSA-N 1 3 281.350 3.028 20 30 CGEDHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000902742163 621422015 /nfs/dbraw/zinc/42/20/15/621422015.db2.gz KZFIZTWRVZQUJA-YJBOKZPZSA-N 1 3 283.419 3.083 20 30 CGEDHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000902742163 621422022 /nfs/dbraw/zinc/42/20/22/621422022.db2.gz KZFIZTWRVZQUJA-YJBOKZPZSA-N 1 3 283.419 3.083 20 30 CGEDHO N#CC1(CCCCN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCC1 ZINC000903739957 621801086 /nfs/dbraw/zinc/80/10/86/621801086.db2.gz BRFVZFVIHPUAMA-IAGOWNOFSA-N 1 3 289.467 3.315 20 30 CGEDHO CC(C)[C@H](CN[C@@H](C)CC(C)(C)C#N)[NH+]1CCCC1 ZINC000924634646 638380855 /nfs/dbraw/zinc/38/08/55/638380855.db2.gz ZTYVXXIQSXXBRG-GJZGRUSLSA-N 1 3 265.445 3.025 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667330 638386112 /nfs/dbraw/zinc/38/61/12/638386112.db2.gz KZXPFYPFRWENOQ-ILXRZTDVSA-N 1 3 265.445 3.025 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000924667330 638386115 /nfs/dbraw/zinc/38/61/15/638386115.db2.gz KZXPFYPFRWENOQ-ILXRZTDVSA-N 1 3 265.445 3.025 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000695837316 799836207 /nfs/dbraw/zinc/83/62/07/799836207.db2.gz QPKWLIVVJGUAKM-GJZGRUSLSA-N 1 3 265.445 3.169 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NCCC[N@H+]1CCCC[C@@H]1C ZINC000695837316 799836211 /nfs/dbraw/zinc/83/62/11/799836211.db2.gz QPKWLIVVJGUAKM-GJZGRUSLSA-N 1 3 265.445 3.169 20 30 CGEDHO C#C[C@H](CC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716721311 800178794 /nfs/dbraw/zinc/17/87/94/800178794.db2.gz ZXZINZVTJHSOKR-RDGPPVDQSA-N 1 3 282.431 3.041 20 30 CGEDHO C=C[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716716063 800179416 /nfs/dbraw/zinc/17/94/16/800179416.db2.gz ZHCDCGBIPNOUDN-SPUZQDLCSA-N 1 3 270.420 3.204 20 30 CGEDHO C=C[C@@H](C)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716716063 800179419 /nfs/dbraw/zinc/17/94/19/800179419.db2.gz ZHCDCGBIPNOUDN-SPUZQDLCSA-N 1 3 270.420 3.204 20 30 CGEDHO C=C[C@@H](C)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716716063 800179422 /nfs/dbraw/zinc/17/94/22/800179422.db2.gz ZHCDCGBIPNOUDN-SPUZQDLCSA-N 1 3 270.420 3.204 20 30 CGEDHO CCCCCCCC[C@H](CC)N[C@H]1COCCC12C[NH2+]C2 ZINC001246139928 804163328 /nfs/dbraw/zinc/16/33/28/804163328.db2.gz YIQNPHAWLRYFLT-IRXDYDNUSA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCCC[C@H](CC)[NH2+][C@H]1COCCC12CNC2 ZINC001246139928 804163334 /nfs/dbraw/zinc/16/33/34/804163334.db2.gz YIQNPHAWLRYFLT-IRXDYDNUSA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCC[C@H](C)N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001246473896 804351447 /nfs/dbraw/zinc/35/14/47/804351447.db2.gz LIJQMZLBUNMHEY-YHUYYLMFSA-N 1 3 250.430 3.099 20 30 CGEDHO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCNCC12CC2 ZINC001246475699 804352723 /nfs/dbraw/zinc/35/27/23/804352723.db2.gz VFGJGKPGUKPLLQ-HUUCEWRRSA-N 1 3 252.446 3.467 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CCCC[C@H](CN)C3)C[C@H](C1)C2 ZINC001246585503 804429501 /nfs/dbraw/zinc/42/95/01/804429501.db2.gz XNMUXGLVDBYKSJ-VPSFDDGASA-N 1 3 262.441 3.182 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CCCC[C@H](CN)C3)C[C@H](C1)C2 ZINC001246585503 804429505 /nfs/dbraw/zinc/42/95/05/804429505.db2.gz XNMUXGLVDBYKSJ-VPSFDDGASA-N 1 3 262.441 3.182 20 30 CGEDHO CN1C(C)(C)CC([NH2+][C@H]2CC[C@H](C#N)CC2)CC1(C)C ZINC001171622156 808106821 /nfs/dbraw/zinc/10/68/21/808106821.db2.gz WFJUOXBRUFBXRD-HDJSIYSDSA-N 1 3 277.456 3.310 20 30 CGEDHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](C#N)CC2)CC1(C)C ZINC001171640018 808111460 /nfs/dbraw/zinc/11/14/60/808111460.db2.gz ZEXYNSDPZGTJJI-CQSZACIVSA-N 1 3 277.456 3.263 20 30 CGEDHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](C#N)CC2)CC1(C)C ZINC001171640018 808111466 /nfs/dbraw/zinc/11/14/66/808111466.db2.gz ZEXYNSDPZGTJJI-CQSZACIVSA-N 1 3 277.456 3.263 20 30 CGEDHO C[C@H]1CCN(Cc2cccc(C#N)c2Cl)CC[C@H]1C[NH3+] ZINC001205626808 813033323 /nfs/dbraw/zinc/03/33/23/813033323.db2.gz JKBSZSLYSJVDRI-STQMWFEESA-N 1 3 291.826 3.018 20 30 CGEDHO CCCCCCC/C=C/CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235928860 819227579 /nfs/dbraw/zinc/22/75/79/819227579.db2.gz DKWCUKXDSFFWFM-IBHATUTGSA-N 1 3 264.457 3.444 20 30 CGEDHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096297 933999828 /nfs/dbraw/zinc/99/98/28/933999828.db2.gz RHQNUFMYVVZKSB-ZIAGYGMSSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CN(C)C ZINC000589949326 346818271 /nfs/dbraw/zinc/81/82/71/346818271.db2.gz RRDCPRGDCWNHSX-IVMQYODDSA-N 1 3 299.462 3.178 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000591578339 346930219 /nfs/dbraw/zinc/93/02/19/346930219.db2.gz RUNYDOPQODZOSS-AEFFLSMTSA-N 1 3 283.419 3.057 20 30 CGEDHO CN1CCC[C@H]1CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033374 347141192 /nfs/dbraw/zinc/14/11/92/347141192.db2.gz OEHQPDXGLDEPSB-KRWDZBQOSA-N 1 3 283.419 3.011 20 30 CGEDHO C[C@H](CCC#N)C[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000602533823 347977230 /nfs/dbraw/zinc/97/72/30/347977230.db2.gz PJDLKBPFGHOJMB-OAHLLOKOSA-N 1 3 277.456 3.170 20 30 CGEDHO C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000602595897 347991182 /nfs/dbraw/zinc/99/11/82/347991182.db2.gz GDYZVLIBVJVPSC-GYXIZQIFSA-N 1 3 289.467 3.311 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000611390990 348444276 /nfs/dbraw/zinc/44/42/76/348444276.db2.gz YZVQOPIMAKNVBF-BEFAXECRSA-N 1 3 295.430 3.010 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000611390990 348444278 /nfs/dbraw/zinc/44/42/78/348444278.db2.gz YZVQOPIMAKNVBF-BEFAXECRSA-N 1 3 295.430 3.010 20 30 CGEDHO C[NH+](C)CC1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614160798 348653548 /nfs/dbraw/zinc/65/35/48/348653548.db2.gz HBCKUZLVQUFYMH-UHFFFAOYSA-N 1 3 299.462 3.261 20 30 CGEDHO C=CCC[C@@H](CC)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635006564 351624792 /nfs/dbraw/zinc/62/47/92/351624792.db2.gz LYILEXSSGFJFMR-IAGOWNOFSA-N 1 3 260.425 3.281 20 30 CGEDHO C=C(C)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821214 370103639 /nfs/dbraw/zinc/10/36/39/370103639.db2.gz SXIJJSPKFUWVKH-UHFFFAOYSA-N 1 3 273.424 3.196 20 30 CGEDHO C=C(C)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821214 370103645 /nfs/dbraw/zinc/10/36/45/370103645.db2.gz SXIJJSPKFUWVKH-UHFFFAOYSA-N 1 3 273.424 3.196 20 30 CGEDHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430340 220077576 /nfs/dbraw/zinc/07/75/76/220077576.db2.gz WIXQGEQWKACWAD-APWZRJJASA-N 1 3 297.446 3.256 20 30 CGEDHO C[C@H]1CCCCN1CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449062553 373659565 /nfs/dbraw/zinc/65/95/65/373659565.db2.gz MGGUBKGTMIAUKR-GTPINHCMSA-N 1 3 277.456 3.313 20 30 CGEDHO N#C[C@H]1CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000192926140 375803418 /nfs/dbraw/zinc/80/34/18/375803418.db2.gz HESGXCDXDNHULN-DOTOQJQBSA-N 1 3 289.467 3.455 20 30 CGEDHO N#C[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000192926140 375803423 /nfs/dbraw/zinc/80/34/23/375803423.db2.gz HESGXCDXDNHULN-DOTOQJQBSA-N 1 3 289.467 3.455 20 30 CGEDHO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000248012436 377258810 /nfs/dbraw/zinc/25/88/10/377258810.db2.gz LKQXFZMWMOTOAR-ZMSDIMECSA-N 1 3 288.435 3.070 20 30 CGEDHO Cc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)ccc1C#N ZINC000578272407 378053117 /nfs/dbraw/zinc/05/31/17/378053117.db2.gz KLYPJDLANMCUOS-UHFFFAOYSA-N 1 3 299.462 3.419 20 30 CGEDHO Cc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)ccc1C#N ZINC000578272407 378053124 /nfs/dbraw/zinc/05/31/24/378053124.db2.gz KLYPJDLANMCUOS-UHFFFAOYSA-N 1 3 299.462 3.419 20 30 CGEDHO CC(C)N1CCC([NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000371769816 379174266 /nfs/dbraw/zinc/17/42/66/379174266.db2.gz NGDLZXRLMMDQGK-UHFFFAOYSA-N 1 3 297.446 3.073 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414310113 380211491 /nfs/dbraw/zinc/21/14/91/380211491.db2.gz WBBRMFIYEPLVIN-GUDVDZBRSA-N 1 3 284.447 3.390 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414310113 380211494 /nfs/dbraw/zinc/21/14/94/380211494.db2.gz WBBRMFIYEPLVIN-GUDVDZBRSA-N 1 3 284.447 3.390 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000414310113 380211500 /nfs/dbraw/zinc/21/15/00/380211500.db2.gz WBBRMFIYEPLVIN-GUDVDZBRSA-N 1 3 284.447 3.390 20 30 CGEDHO CC1(C)CC([NH2+]C2CCC(C)(C#N)CC2)CC(C)(C)N1 ZINC000336205035 392840832 /nfs/dbraw/zinc/84/08/32/392840832.db2.gz JYPCSNVNTXFBOU-UHFFFAOYSA-N 1 3 277.456 3.358 20 30 CGEDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(C#N)cc1 ZINC000181859942 287067733 /nfs/dbraw/zinc/06/77/33/287067733.db2.gz CCDWPUCWVOBBSS-COXVUDFISA-N 1 3 271.408 3.082 20 30 CGEDHO C=C[C@@H]1CCCCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683843523 543948062 /nfs/dbraw/zinc/94/80/62/543948062.db2.gz HEWQFTJTXZDNHV-QGZVFWFLSA-N 1 3 288.435 3.168 20 30 CGEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(CCC)C1 ZINC000657844214 419386281 /nfs/dbraw/zinc/38/62/81/419386281.db2.gz HNXVDJBCYLTRDC-GVDBMIGSSA-N 1 3 264.457 3.443 20 30 CGEDHO C=C[C@@H](C)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449184630 260284457 /nfs/dbraw/zinc/28/44/57/260284457.db2.gz FPAVAJUXEGHBAU-HZPDHXFCSA-N 1 3 272.436 3.246 20 30 CGEDHO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309921176 262052755 /nfs/dbraw/zinc/05/27/55/262052755.db2.gz QXAJFUUTHMZGJI-XOYOTBSWSA-N 1 3 270.420 3.061 20 30 CGEDHO C=C[C@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309921176 262052756 /nfs/dbraw/zinc/05/27/56/262052756.db2.gz QXAJFUUTHMZGJI-XOYOTBSWSA-N 1 3 270.420 3.061 20 30 CGEDHO C=C[C@H](C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309921176 262052758 /nfs/dbraw/zinc/05/27/58/262052758.db2.gz QXAJFUUTHMZGJI-XOYOTBSWSA-N 1 3 270.420 3.061 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000563425716 328065857 /nfs/dbraw/zinc/06/58/57/328065857.db2.gz QLNCPTDWKYMZGF-BRWVUGGUSA-N 1 3 258.409 3.033 20 30 CGEDHO N#C[C@H]1CCC[C@H](NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000185876223 329334146 /nfs/dbraw/zinc/33/41/46/329334146.db2.gz HSRSIGTZZUTICJ-WMZOPIPTSA-N 1 3 289.467 3.313 20 30 CGEDHO N#C[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000185876223 329334148 /nfs/dbraw/zinc/33/41/48/329334148.db2.gz HSRSIGTZZUTICJ-WMZOPIPTSA-N 1 3 289.467 3.313 20 30 CGEDHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)C1 ZINC000424337095 330343542 /nfs/dbraw/zinc/34/35/42/330343542.db2.gz YWBGMGRVNUDPBI-ATLSCFEFSA-N 1 3 289.467 3.311 20 30 CGEDHO C=CCC[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)C1CC1 ZINC000439083461 330733602 /nfs/dbraw/zinc/73/36/02/330733602.db2.gz CSGAVIBWOQPBBQ-DOTOQJQBSA-N 1 3 264.457 3.443 20 30 CGEDHO CC1CCN(CCC[NH2+]CC(C)(C)CCC#N)CC1 ZINC000135133750 334117347 /nfs/dbraw/zinc/11/73/47/334117347.db2.gz LJMODNLXPUIUHW-UHFFFAOYSA-N 1 3 265.445 3.028 20 30 CGEDHO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000385140171 336140710 /nfs/dbraw/zinc/14/07/10/336140710.db2.gz IHSHHSJCFYWRJY-QLFBSQMISA-N 1 3 250.430 3.099 20 30 CGEDHO CCC(N)(CC)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423290643 528954315 /nfs/dbraw/zinc/95/43/15/528954315.db2.gz DWFVZBOQPRFVRN-KRWDZBQOSA-N 1 3 285.435 3.433 20 30 CGEDHO C#CCCCCCCN1CCC(C)([NH+]2CCC2)CC1 ZINC000895672783 619869933 /nfs/dbraw/zinc/86/99/33/619869933.db2.gz YIDRJGKARFRPOM-UHFFFAOYSA-N 1 3 262.441 3.130 20 30 CGEDHO C[C@@H](NCc1cccc(C#N)c1)c1cccc(C[NH+](C)C)c1 ZINC000924639266 620553200 /nfs/dbraw/zinc/55/32/00/620553200.db2.gz LKCGUKGJQLETPV-OAHLLOKOSA-N 1 3 293.414 3.471 20 30 CGEDHO C[C@@H]1C[C@H](C)[N@H+](CCCCC2(C#N)CCC2)C[C@@H]1CN ZINC000903761593 621802686 /nfs/dbraw/zinc/80/26/86/621802686.db2.gz WUNIMUOKNXOUDJ-PMPSAXMXSA-N 1 3 277.456 3.156 20 30 CGEDHO C[C@@H]1C[C@H](C)[N@@H+](CCCCC2(C#N)CCC2)C[C@@H]1CN ZINC000903761593 621802687 /nfs/dbraw/zinc/80/26/87/621802687.db2.gz WUNIMUOKNXOUDJ-PMPSAXMXSA-N 1 3 277.456 3.156 20 30 CGEDHO C#C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000809685512 630780829 /nfs/dbraw/zinc/78/08/29/630780829.db2.gz XMDFREPYEDCAGA-WDSOQIARSA-N 1 3 284.447 3.287 20 30 CGEDHO C#C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000809685512 630780833 /nfs/dbraw/zinc/78/08/33/630780833.db2.gz XMDFREPYEDCAGA-WDSOQIARSA-N 1 3 284.447 3.287 20 30 CGEDHO C#C[C@H](NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C(C)C ZINC000824364194 633235825 /nfs/dbraw/zinc/23/58/25/633235825.db2.gz WAJPAJNLAWEADZ-PXNSSMCTSA-N 1 3 298.474 3.329 20 30 CGEDHO C=C(C)C[NH+]1CCC(NC/C=C/c2cccc(F)c2)CC1 ZINC000885973724 637339065 /nfs/dbraw/zinc/33/90/65/637339065.db2.gz ZGSZLMXWIMRTFK-GQCTYLIASA-N 1 3 288.410 3.469 20 30 CGEDHO C=C(Cl)CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC000886547205 637574513 /nfs/dbraw/zinc/57/45/13/637574513.db2.gz HANZXMXUMVMCFW-UHFFFAOYSA-N 1 3 256.821 3.126 20 30 CGEDHO C=CCCCCCC[C@@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC001253248263 806195620 /nfs/dbraw/zinc/19/56/20/806195620.db2.gz SUPBOFHAGPRSLA-GOSISDBHSA-N 1 3 296.499 3.336 20 30 CGEDHO CC[C@@H](CC#N)N(Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255161256 806559398 /nfs/dbraw/zinc/55/93/98/806559398.db2.gz XCAYASHLILOXGX-BZSNNMDCSA-N 1 3 285.435 3.451 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001245977074 804092557 /nfs/dbraw/zinc/09/25/57/804092557.db2.gz VFUBCAFATRHDCD-ULQDDVLXSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCC[C@@H](O)CN(C)C[C@@H]1CCC[NH2+]C1 ZINC001246048209 804105274 /nfs/dbraw/zinc/10/52/74/804105274.db2.gz YPKYTAFZPVOLDY-IAGOWNOFSA-N 1 3 284.488 3.029 20 30 CGEDHO CCCCCCCCCCC[C@H](C)[NH2+][C@@H]1CNC[C@@H]1N ZINC001246210827 804207845 /nfs/dbraw/zinc/20/78/45/804207845.db2.gz KXCBBJWMJVHBTQ-YESZJQIVSA-N 1 3 283.504 3.185 20 30 CGEDHO CC[C@@]1([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CCNC1 ZINC001246460406 804342140 /nfs/dbraw/zinc/34/21/40/804342140.db2.gz MJHFDNJQHNUXFQ-CTWPCTMYSA-N 1 3 297.446 3.316 20 30 CGEDHO C=C1C[C@@H]2CC([NH2+][C@@H](C3CCC3)C3CNC3)C[C@H](C1)C2 ZINC001246519239 804372521 /nfs/dbraw/zinc/37/25/21/804372521.db2.gz RHBXEOWSMOVKKM-YWGCOLQPSA-N 1 3 274.452 3.099 20 30 CGEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCN1CCCC[C@@H]1C ZINC001171182048 808001998 /nfs/dbraw/zinc/00/19/98/808001998.db2.gz RZUMCSGUBDTUBA-SJORKVTESA-N 1 3 299.462 3.343 20 30 CGEDHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](CC#N)C2)CC1(C)C ZINC001171639539 808110746 /nfs/dbraw/zinc/11/07/46/808110746.db2.gz ODRPLFGPSKTIBU-CQSZACIVSA-N 1 3 277.456 3.263 20 30 CGEDHO CN1C(C)(C)CC([N@H+]2CCC[C@H](CC#N)C2)CC1(C)C ZINC001171639539 808110751 /nfs/dbraw/zinc/11/07/51/808110751.db2.gz ODRPLFGPSKTIBU-CQSZACIVSA-N 1 3 277.456 3.263 20 30 CGEDHO C[NH+]1C(C)(C)CC(N2CCC[C@H](CC#N)C2)CC1(C)C ZINC001171639539 808110753 /nfs/dbraw/zinc/11/07/53/808110753.db2.gz ODRPLFGPSKTIBU-CQSZACIVSA-N 1 3 277.456 3.263 20 30 CGEDHO CC1(C)C[C@@H](NCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC001171984934 808165294 /nfs/dbraw/zinc/16/52/94/808165294.db2.gz YXQYHRUVBJOQSL-KRWDZBQOSA-N 1 3 285.435 3.323 20 30 CGEDHO CC1(C)C[C@@H](NCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC001171984934 808165298 /nfs/dbraw/zinc/16/52/98/808165298.db2.gz YXQYHRUVBJOQSL-KRWDZBQOSA-N 1 3 285.435 3.323 20 30 CGEDHO C[C@H](CCCC#N)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC001172479150 808344165 /nfs/dbraw/zinc/34/41/65/808344165.db2.gz HAXOLXYZKSDCMI-BZUAXINKSA-N 1 3 265.445 3.026 20 30 CGEDHO CCCCCCCCCCN1CCO[C@@H](CC[NH3+])C1 ZINC001204748301 812725904 /nfs/dbraw/zinc/72/59/04/812725904.db2.gz ISCIPOMHTWMMPG-INIZCTEOSA-N 1 3 270.461 3.177 20 30 CGEDHO C[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)CC[C@H]1C[NH3+] ZINC001205652954 813041392 /nfs/dbraw/zinc/04/13/92/813041392.db2.gz RMHNTGSUWKQNKK-WFASDCNBSA-N 1 3 291.826 3.018 20 30 CGEDHO C[C@H]1CCN(Cc2ccc(Cl)c(C#N)c2)CC[C@H]1C[NH3+] ZINC001205651646 813042195 /nfs/dbraw/zinc/04/21/95/813042195.db2.gz HVVCGQMDINWCNO-JSGCOSHPSA-N 1 3 291.826 3.018 20 30 CGEDHO C=CCOc1cccc(CN2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206564440 813354244 /nfs/dbraw/zinc/35/42/44/813354244.db2.gz NQRLQMQGLFQZAV-GOSISDBHSA-N 1 3 288.435 3.202 20 30 CGEDHO Cc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)CN(C)C)ccc1C#N ZINC001206801466 813439618 /nfs/dbraw/zinc/43/96/18/813439618.db2.gz WNUHMTUCZDLMOO-APWZRJJASA-N 1 3 299.462 3.419 20 30 CGEDHO Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)CN(C)C)ccc1C#N ZINC001206801466 813439624 /nfs/dbraw/zinc/43/96/24/813439624.db2.gz WNUHMTUCZDLMOO-APWZRJJASA-N 1 3 299.462 3.419 20 30 CGEDHO CC1(C#N)CC[NH+](C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208954594 813910678 /nfs/dbraw/zinc/91/06/78/813910678.db2.gz WNIZDLFCUIQEBR-GOSISDBHSA-N 1 3 297.446 3.134 20 30 CGEDHO C=CCCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235402864 819086383 /nfs/dbraw/zinc/08/63/83/819086383.db2.gz KBIWSMOLWKREHB-JKSUJKDBSA-N 1 3 268.420 3.146 20 30 CGEDHO C=CCCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235402864 819086389 /nfs/dbraw/zinc/08/63/89/819086389.db2.gz KBIWSMOLWKREHB-JKSUJKDBSA-N 1 3 268.420 3.146 20 30 CGEDHO C=CCCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235402864 819086395 /nfs/dbraw/zinc/08/63/95/819086395.db2.gz KBIWSMOLWKREHB-JKSUJKDBSA-N 1 3 268.420 3.146 20 30 CGEDHO C=CCN(Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC001235962170 819251766 /nfs/dbraw/zinc/25/17/66/819251766.db2.gz LRXZDVFVGDMSMU-UHFFFAOYSA-N 1 3 266.388 3.334 20 30 CGEDHO CCC#C[C@H](C)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001473104124 937792741 /nfs/dbraw/zinc/79/27/41/937792741.db2.gz GLEIDXZYVVNQQC-KRWDZBQOSA-N 1 3 276.468 3.376 20 30 CGEDHO CCC#C[C@H](C)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC001576923806 962499016 /nfs/dbraw/zinc/49/90/16/962499016.db2.gz QRSNUKURRSOVEI-RDJZCZTQSA-N 1 3 298.430 3.105 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CN2CCCC2)C1 ZINC000651682363 398268412 /nfs/dbraw/zinc/26/84/12/398268412.db2.gz WUIBUTGAFVAULY-BZUAXINKSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CCCC[C@@H](C)[NH+]1CCC(N2CCCC2)CC1 ZINC000091508796 345817845 /nfs/dbraw/zinc/81/78/45/345817845.db2.gz ZHYWUHJTGMSFRS-OAHLLOKOSA-N 1 3 250.430 3.291 20 30 CGEDHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCCC(C)(C)C#N)C2 ZINC000595503987 347312903 /nfs/dbraw/zinc/31/29/03/347312903.db2.gz CMJHQIDBYCDNCN-KRWDZBQOSA-N 1 3 277.456 3.124 20 30 CGEDHO C[N@H+]1CC[C@]2(C1)CCCN(CCCCC(C)(C)C#N)C2 ZINC000595503987 347312904 /nfs/dbraw/zinc/31/29/04/347312904.db2.gz CMJHQIDBYCDNCN-KRWDZBQOSA-N 1 3 277.456 3.124 20 30 CGEDHO C[C@@H]1CC[C@H](NC2CCC(C#N)(c3ccccc3)CC2)C[NH2+]1 ZINC000600711118 347829621 /nfs/dbraw/zinc/82/96/21/347829621.db2.gz RCWJIWFORNYZBU-IZIZEDOESA-N 1 3 297.446 3.121 20 30 CGEDHO C[C@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1cccc(C#N)c1 ZINC000602020887 347933793 /nfs/dbraw/zinc/93/37/93/347933793.db2.gz ORQJTGSNAZGUCL-HNAYVOBHSA-N 1 3 293.414 3.169 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCCC1 ZINC000611390121 348444422 /nfs/dbraw/zinc/44/44/22/348444422.db2.gz CVSCZISJKILOEY-GOSISDBHSA-N 1 3 283.419 3.011 20 30 CGEDHO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000423016333 283213695 /nfs/dbraw/zinc/21/36/95/283213695.db2.gz MGAMSFZVWDSAKL-OALUTQOASA-N 1 3 291.398 3.195 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCN1CCCCC1 ZINC000425532146 236257610 /nfs/dbraw/zinc/25/76/10/236257610.db2.gz ILMANBACUUYNFI-MRXNPFEDSA-N 1 3 285.435 3.427 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCN1CCCCC1 ZINC000425532146 236257612 /nfs/dbraw/zinc/25/76/12/236257612.db2.gz ILMANBACUUYNFI-MRXNPFEDSA-N 1 3 285.435 3.427 20 30 CGEDHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000181438922 189296546 /nfs/dbraw/zinc/29/65/46/189296546.db2.gz UAGMULQGZDQWLQ-HNNXBMFYSA-N 1 3 293.414 3.471 20 30 CGEDHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(C#N)cc1 ZINC000038041726 296130968 /nfs/dbraw/zinc/13/09/68/296130968.db2.gz GCBCZNYVSYKEIN-JKSUJKDBSA-N 1 3 285.435 3.331 20 30 CGEDHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000037786475 369113581 /nfs/dbraw/zinc/11/35/81/369113581.db2.gz KETVOAPCOJBQGS-AWEZNQCLSA-N 1 3 285.435 3.472 20 30 CGEDHO N#C[C@@H]1CC[C@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000442708437 373067757 /nfs/dbraw/zinc/06/77/57/373067757.db2.gz JAQORBYTVQSYNL-QAPCUYQASA-N 1 3 283.419 3.064 20 30 CGEDHO CN(C)Cc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449218507 373673191 /nfs/dbraw/zinc/67/31/91/373673191.db2.gz IXHURYLQLJDDLQ-UHFFFAOYSA-N 1 3 285.435 3.310 20 30 CGEDHO C[NH+](C)Cc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000449734011 373860111 /nfs/dbraw/zinc/86/01/11/373860111.db2.gz LEVOZWZTQGEJPR-UHFFFAOYSA-N 1 3 297.377 3.049 20 30 CGEDHO N#C[C@H]1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000335835233 375470283 /nfs/dbraw/zinc/47/02/83/375470283.db2.gz OIAJSARXQKLQQZ-HOCLYGCPSA-N 1 3 275.440 3.065 20 30 CGEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000192926181 375803444 /nfs/dbraw/zinc/80/34/44/375803444.db2.gz HESGXCDXDNHULN-WBVHZDCISA-N 1 3 289.467 3.455 20 30 CGEDHO N#C[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000192926181 375803448 /nfs/dbraw/zinc/80/34/48/375803448.db2.gz HESGXCDXDNHULN-WBVHZDCISA-N 1 3 289.467 3.455 20 30 CGEDHO C[NH+](C)[C@@H]1CCCN(CCCCC(C)(C)C#N)CC1 ZINC000375713404 379506395 /nfs/dbraw/zinc/50/63/95/379506395.db2.gz YJJSPRLYBQTXEI-OAHLLOKOSA-N 1 3 265.445 3.123 20 30 CGEDHO CN(C)[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)CC1 ZINC000375713404 379506402 /nfs/dbraw/zinc/50/64/02/379506402.db2.gz YJJSPRLYBQTXEI-OAHLLOKOSA-N 1 3 265.445 3.123 20 30 CGEDHO CN(C)[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000375713404 379506408 /nfs/dbraw/zinc/50/64/08/379506408.db2.gz YJJSPRLYBQTXEI-OAHLLOKOSA-N 1 3 265.445 3.123 20 30 CGEDHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)c1cccc(C#N)c1 ZINC000037233737 173052954 /nfs/dbraw/zinc/05/29/54/173052954.db2.gz IIUSCPHTVLSQOF-MRXNPFEDSA-N 1 3 285.435 3.331 20 30 CGEDHO C=CCCC1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CCCC1 ZINC000665236431 419087185 /nfs/dbraw/zinc/08/71/85/419087185.db2.gz MOQGRKRMICHNDI-JKSUJKDBSA-N 1 3 264.457 3.491 20 30 CGEDHO C=CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000658114935 419588285 /nfs/dbraw/zinc/58/82/85/419588285.db2.gz SKTDYOFJMSABFP-GBESFXJTSA-N 1 3 284.447 3.453 20 30 CGEDHO C=C(C)COCCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340305511 263107698 /nfs/dbraw/zinc/10/76/98/263107698.db2.gz LHXNYXWLZSEIHF-MSOLQXFVSA-N 1 3 288.435 3.004 20 30 CGEDHO C=C(C)COCCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340305511 263107699 /nfs/dbraw/zinc/10/76/99/263107699.db2.gz LHXNYXWLZSEIHF-MSOLQXFVSA-N 1 3 288.435 3.004 20 30 CGEDHO C=CCOc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C)C[C@H]1C ZINC000161510551 264288335 /nfs/dbraw/zinc/28/83/35/264288335.db2.gz LKQXFZMWMOTOAR-VYDXJSESSA-N 1 3 288.435 3.070 20 30 CGEDHO N#Cc1cccc(C2([NH2+]C3CCN(CC4CC4)CC3)CC2)c1 ZINC000551816603 289135336 /nfs/dbraw/zinc/13/53/36/289135336.db2.gz BKSZAAOWDCIDNR-UHFFFAOYSA-N 1 3 295.430 3.011 20 30 CGEDHO CCC1(CNCCC#N)CC[NH+](Cc2ccccc2)CC1 ZINC000584048464 326906821 /nfs/dbraw/zinc/90/68/21/326906821.db2.gz RCXHVJKNWHOIAZ-UHFFFAOYSA-N 1 3 285.435 3.182 20 30 CGEDHO C=CCCCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000560187126 327288954 /nfs/dbraw/zinc/28/89/54/327288954.db2.gz MHQTUUINIBSVFC-IAGOWNOFSA-N 1 3 294.483 3.164 20 30 CGEDHO C[C@@H](CC[NH2+]CC(C)(C)CCC#N)N1CCCCC1 ZINC000184331521 335923413 /nfs/dbraw/zinc/92/34/13/335923413.db2.gz RZXVDGXWRUTKRS-HNNXBMFYSA-N 1 3 265.445 3.170 20 30 CGEDHO C=CCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000347931394 527233922 /nfs/dbraw/zinc/23/39/22/527233922.db2.gz LSVPNURILPFCEE-GJZGRUSLSA-N 1 3 250.430 3.195 20 30 CGEDHO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926341697 618509611 /nfs/dbraw/zinc/50/96/11/618509611.db2.gz GZMQJXUASFEKCL-SJLPKXTDSA-N 1 3 294.483 3.068 20 30 CGEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926341698 618509917 /nfs/dbraw/zinc/50/99/17/618509917.db2.gz GZMQJXUASFEKCL-WMZOPIPTSA-N 1 3 294.483 3.068 20 30 CGEDHO CC(C)(CCC#N)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925670841 619122963 /nfs/dbraw/zinc/12/29/63/619122963.db2.gz AAMLJNKYEGUGGG-HZPDHXFCSA-N 1 3 277.456 3.074 20 30 CGEDHO C[C@H](CN(C)C)[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000895380030 619817495 /nfs/dbraw/zinc/81/74/95/619817495.db2.gz XCIBOXLKRHMLEA-QAPCUYQASA-N 1 3 285.435 3.110 20 30 CGEDHO C[C@H](CN(C)C)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000895380030 619817497 /nfs/dbraw/zinc/81/74/97/619817497.db2.gz XCIBOXLKRHMLEA-QAPCUYQASA-N 1 3 285.435 3.110 20 30 CGEDHO CC[C@@H](NC1CC[NH+](CC)CC1)c1cccc(C#N)c1 ZINC000902725721 621412599 /nfs/dbraw/zinc/41/25/99/621412599.db2.gz GADMITPISLOKLX-QGZVFWFLSA-N 1 3 271.408 3.083 20 30 CGEDHO CC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccc(C#N)c1 ZINC000902832007 621466306 /nfs/dbraw/zinc/46/63/06/621466306.db2.gz HXHOMAZBBYGVDR-KURKYZTESA-N 1 3 285.435 3.472 20 30 CGEDHO CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(C#N)c1 ZINC000902832005 621466598 /nfs/dbraw/zinc/46/65/98/621466598.db2.gz HXHOMAZBBYGVDR-BZSNNMDCSA-N 1 3 285.435 3.472 20 30 CGEDHO C#C[C@H](C)N(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000839583771 626763180 /nfs/dbraw/zinc/76/31/80/626763180.db2.gz NNUOMYIKQXAVQD-INIZCTEOSA-N 1 3 270.420 3.126 20 30 CGEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000775397019 628090186 /nfs/dbraw/zinc/09/01/86/628090186.db2.gz RUEPWSSFHNEZMZ-ZHALLVOQSA-N 1 3 297.446 3.398 20 30 CGEDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000775397017 628090226 /nfs/dbraw/zinc/09/02/26/628090226.db2.gz RUEPWSSFHNEZMZ-SCTDSRPQSA-N 1 3 297.446 3.398 20 30 CGEDHO C#CCCCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000878412547 635496217 /nfs/dbraw/zinc/49/62/17/635496217.db2.gz VUDROGUJQROQIM-SJORKVTESA-N 1 3 276.468 3.423 20 30 CGEDHO C#CCCCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000878412545 635496838 /nfs/dbraw/zinc/49/68/38/635496838.db2.gz VUDROGUJQROQIM-IAGOWNOFSA-N 1 3 276.468 3.423 20 30 CGEDHO C=CC[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccncc1 ZINC000925499127 638255993 /nfs/dbraw/zinc/25/59/93/638255993.db2.gz VWWKLPMAMLXPSK-JYJNAYRXSA-N 1 3 273.424 3.194 20 30 CGEDHO N=C(Nc1cccc(C[NH3+])c1)c1ccc(C(F)(F)F)cc1 ZINC001163680730 806799667 /nfs/dbraw/zinc/79/96/67/806799667.db2.gz VIVVBLJBNVJIEP-UHFFFAOYSA-N 1 3 293.292 3.201 20 30 CGEDHO CC[C@H](NC[C@@H]1CCC[N@H+](CC)C1)c1ccc(C#N)cc1 ZINC001256026380 806806764 /nfs/dbraw/zinc/80/67/64/806806764.db2.gz SKGKJAVWLNNRFA-WMZOPIPTSA-N 1 3 285.435 3.331 20 30 CGEDHO CC[C@H](NC[C@@H]1CCC[N@@H+](CC)C1)c1ccc(C#N)cc1 ZINC001256026380 806806772 /nfs/dbraw/zinc/80/67/72/806806772.db2.gz SKGKJAVWLNNRFA-WMZOPIPTSA-N 1 3 285.435 3.331 20 30 CGEDHO CCCCCCCCCC[C@H](O)CNC[C@H]1C[NH2+]C[C@H]1C ZINC001245982082 804093805 /nfs/dbraw/zinc/09/38/05/804093805.db2.gz JXAIFKMSJBPDJQ-KURKYZTESA-N 1 3 298.515 3.323 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CNC[C@H]1C[NH2+][C@H](C)C1 ZINC001245995069 804095770 /nfs/dbraw/zinc/09/57/70/804095770.db2.gz SDCXQKXYPRTMGS-FGTMMUONSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN[C@H](C)C1C[NH2+]C1 ZINC001245998300 804096497 /nfs/dbraw/zinc/09/64/97/804096497.db2.gz GAWUGHWWKLINCF-NVXWUHKLSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCC[C@@H](O)CN(C)C[C@H]1CCC[NH2+]C1 ZINC001246048207 804105014 /nfs/dbraw/zinc/10/50/14/804105014.db2.gz YPKYTAFZPVOLDY-DLBZAZTESA-N 1 3 284.488 3.029 20 30 CGEDHO C=C1C[C@@H]2CC(NC[C@@H]3CC[C@@H](C)C[NH2+]3)C[C@H](C1)C2 ZINC001246109526 804141668 /nfs/dbraw/zinc/14/16/68/804141668.db2.gz XWCUMKNNAJHXLE-GBZVZXMBSA-N 1 3 262.441 3.099 20 30 CGEDHO C=C1C[C@@H]2CC([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)C[C@H](C1)C2 ZINC001246332410 804287210 /nfs/dbraw/zinc/28/72/10/804287210.db2.gz LETJQNPABRUARW-YHEFPPTGSA-N 1 3 274.452 3.384 20 30 CGEDHO C=CCC[C@@H](C)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246457417 804339202 /nfs/dbraw/zinc/33/92/02/804339202.db2.gz LHJLZTINLXMEFZ-OAHLLOKOSA-N 1 3 290.426 3.435 20 30 CGEDHO CCCCCCCC[C@@H](CC)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246643552 804470323 /nfs/dbraw/zinc/47/03/23/804470323.db2.gz PCJNRTZLBGXOMW-QZTJIDSGSA-N 1 3 295.515 3.153 20 30 CGEDHO CCCCCCCC[C@H](CC)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665168 804486617 /nfs/dbraw/zinc/48/66/17/804486617.db2.gz SZPSLEYJGMNFFW-JONQDZQNSA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665168 804486621 /nfs/dbraw/zinc/48/66/21/804486621.db2.gz SZPSLEYJGMNFFW-JONQDZQNSA-N 1 3 252.446 3.405 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+](C)C[C@@H]3CCCNC3)C[C@H](C1)C2 ZINC001246843035 804551581 /nfs/dbraw/zinc/55/15/81/804551581.db2.gz SPXHAYQYVNCNDP-VPSFDDGASA-N 1 3 262.441 3.053 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+](C)C[C@@H]3CCCNC3)C[C@H](C1)C2 ZINC001246843035 804551585 /nfs/dbraw/zinc/55/15/85/804551585.db2.gz SPXHAYQYVNCNDP-VPSFDDGASA-N 1 3 262.441 3.053 20 30 CGEDHO C=CC[N@H+](C1CCCCC1)C1C[C@H](C)N[C@@H](C)C1 ZINC001246949346 804616920 /nfs/dbraw/zinc/61/69/20/804616920.db2.gz OSSMGXQZSXKAPN-KBPBESRZSA-N 1 3 250.430 3.336 20 30 CGEDHO C=CC[N@@H+](C1CCCCC1)C1C[C@H](C)N[C@@H](C)C1 ZINC001246949346 804616923 /nfs/dbraw/zinc/61/69/23/804616923.db2.gz OSSMGXQZSXKAPN-KBPBESRZSA-N 1 3 250.430 3.336 20 30 CGEDHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](C#N)CC2)CC1(C)C ZINC001171640017 808111252 /nfs/dbraw/zinc/11/12/52/808111252.db2.gz ZEXYNSDPZGTJJI-AWEZNQCLSA-N 1 3 277.456 3.263 20 30 CGEDHO CN1C(C)(C)CC([N@H+]2CCC[C@H](C#N)CC2)CC1(C)C ZINC001171640017 808111258 /nfs/dbraw/zinc/11/12/58/808111258.db2.gz ZEXYNSDPZGTJJI-AWEZNQCLSA-N 1 3 277.456 3.263 20 30 CGEDHO N#CCCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074056 808170849 /nfs/dbraw/zinc/17/08/49/808170849.db2.gz TVWBDBSUMJHMAP-LDLYASANSA-N 1 3 297.446 3.465 20 30 CGEDHO N#CCCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074056 808170854 /nfs/dbraw/zinc/17/08/54/808170854.db2.gz TVWBDBSUMJHMAP-LDLYASANSA-N 1 3 297.446 3.465 20 30 CGEDHO CCCCCCCN1CCN(CCC[NH+](CC)CC)CC1 ZINC001201787975 811965123 /nfs/dbraw/zinc/96/51/23/811965123.db2.gz QXEVCQPGMDNRRW-UHFFFAOYSA-N 1 3 297.531 3.306 20 30 CGEDHO CCCCCCCN1CCN(c2cc[nH+]cc2C)CC1 ZINC001201798025 811965956 /nfs/dbraw/zinc/96/59/56/811965956.db2.gz LQWBLPZKJINDLB-UHFFFAOYSA-N 1 3 275.440 3.482 20 30 CGEDHO C=CCCCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC001205472186 812988678 /nfs/dbraw/zinc/98/86/78/812988678.db2.gz XEZLUTVOCBCAFG-UHFFFAOYSA-N 1 3 252.446 3.443 20 30 CGEDHO C=CCCCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209164179 813953620 /nfs/dbraw/zinc/95/36/20/813953620.db2.gz UINCKMVOFJTCSV-MOPGFXCFSA-N 1 3 284.447 3.407 20 30 CGEDHO C=CCCCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209164179 813953624 /nfs/dbraw/zinc/95/36/24/813953624.db2.gz UINCKMVOFJTCSV-MOPGFXCFSA-N 1 3 284.447 3.407 20 30 CGEDHO C=CCCCCCN1CCN(c2cc[nH+]cc2C)CC1 ZINC001209432712 814034057 /nfs/dbraw/zinc/03/40/57/814034057.db2.gz JAMGXASLFHPSGA-UHFFFAOYSA-N 1 3 273.424 3.258 20 30 CGEDHO C=CCCCCCC[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001209440910 814041613 /nfs/dbraw/zinc/04/16/13/814041613.db2.gz SACVSXMIAZRSGQ-CALCHBBNSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCCCCC[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001209440910 814041619 /nfs/dbraw/zinc/04/16/19/814041619.db2.gz SACVSXMIAZRSGQ-CALCHBBNSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCCCCCN1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001209440910 814041624 /nfs/dbraw/zinc/04/16/24/814041624.db2.gz SACVSXMIAZRSGQ-CALCHBBNSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCCCCCN1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1 ZINC001209440910 814041633 /nfs/dbraw/zinc/04/16/33/814041633.db2.gz SACVSXMIAZRSGQ-CALCHBBNSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN2CCCC2)C1 ZINC000651682364 398268702 /nfs/dbraw/zinc/26/87/02/398268702.db2.gz WUIBUTGAFVAULY-OAGGEKHMSA-N 1 3 250.430 3.053 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2cccc3c2CCC3)CC1 ZINC000651700584 398271176 /nfs/dbraw/zinc/27/11/76/398271176.db2.gz LJXUPYYQBCPEMW-UHFFFAOYSA-N 1 3 284.447 3.305 20 30 CGEDHO CC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000591583002 346930000 /nfs/dbraw/zinc/93/00/00/346930000.db2.gz ZKKYGWXPFYQCDV-SJORKVTESA-N 1 3 283.419 3.274 20 30 CGEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000091593658 345818831 /nfs/dbraw/zinc/81/88/31/345818831.db2.gz ORLQNKOJRPZLRZ-ARFHVFGLSA-N 1 3 250.430 3.147 20 30 CGEDHO C=CCCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000091593658 345818833 /nfs/dbraw/zinc/81/88/33/345818833.db2.gz ORLQNKOJRPZLRZ-ARFHVFGLSA-N 1 3 250.430 3.147 20 30 CGEDHO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000561983379 346659717 /nfs/dbraw/zinc/65/97/17/346659717.db2.gz UWMAKAHVCLESAX-CRAIPNDOSA-N 1 3 288.435 3.023 20 30 CGEDHO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000561983379 346659720 /nfs/dbraw/zinc/65/97/20/346659720.db2.gz UWMAKAHVCLESAX-CRAIPNDOSA-N 1 3 288.435 3.023 20 30 CGEDHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071797 347713921 /nfs/dbraw/zinc/71/39/21/347713921.db2.gz TXKJMLASHPEZPS-LPHOPBHVSA-N 1 3 297.446 3.257 20 30 CGEDHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000602020571 347934117 /nfs/dbraw/zinc/93/41/17/347934117.db2.gz MPGNLSMFEISNIE-WMZOPIPTSA-N 1 3 297.446 3.303 20 30 CGEDHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000602020570 347934184 /nfs/dbraw/zinc/93/41/84/347934184.db2.gz MPGNLSMFEISNIE-SJLPKXTDSA-N 1 3 297.446 3.303 20 30 CGEDHO C[C@H](CCC#N)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000602727644 348019295 /nfs/dbraw/zinc/01/92/95/348019295.db2.gz FWDBRJKPYPSNLX-ZHALLVOQSA-N 1 3 299.462 3.284 20 30 CGEDHO C=CC[C@H]1CCN(CCC[N@@H+]2CC[C@H](CC=C)C2)C1 ZINC000625703075 350200190 /nfs/dbraw/zinc/20/01/90/350200190.db2.gz QALVPJBJDFEZNY-IRXDYDNUSA-N 1 3 262.441 3.173 20 30 CGEDHO C=CC[C@H]1CCN(CCC[N@H+]2CC[C@H](CC=C)C2)C1 ZINC000625703075 350200194 /nfs/dbraw/zinc/20/01/94/350200194.db2.gz QALVPJBJDFEZNY-IRXDYDNUSA-N 1 3 262.441 3.173 20 30 CGEDHO C=CCC[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)C1CC1 ZINC000635012900 351630630 /nfs/dbraw/zinc/63/06/30/351630630.db2.gz WQTXZAQJZQNKAL-CABCVRRESA-N 1 3 250.430 3.099 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000425530424 236257792 /nfs/dbraw/zinc/25/77/92/236257792.db2.gz FLZDGMBQFDGRSW-PBHICJAKSA-N 1 3 271.408 3.035 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000425530424 236257794 /nfs/dbraw/zinc/25/77/94/236257794.db2.gz FLZDGMBQFDGRSW-PBHICJAKSA-N 1 3 271.408 3.035 20 30 CGEDHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(C#N)s2)C1 ZINC000176948372 189016064 /nfs/dbraw/zinc/01/60/64/189016064.db2.gz BQYHAIWGDPYDIW-CQSZACIVSA-N 1 3 291.464 3.221 20 30 CGEDHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(C#N)s2)C1 ZINC000176948372 189016065 /nfs/dbraw/zinc/01/60/65/189016065.db2.gz BQYHAIWGDPYDIW-CQSZACIVSA-N 1 3 291.464 3.221 20 30 CGEDHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000344388628 217177103 /nfs/dbraw/zinc/17/71/03/217177103.db2.gz BHJFONNMZZWPPY-XJKSGUPXSA-N 1 3 289.398 3.002 20 30 CGEDHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000344388628 217177104 /nfs/dbraw/zinc/17/71/04/217177104.db2.gz BHJFONNMZZWPPY-XJKSGUPXSA-N 1 3 289.398 3.002 20 30 CGEDHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442773368 373075681 /nfs/dbraw/zinc/07/56/81/373075681.db2.gz CJDCJZAXHJGYCI-CRAIPNDOSA-N 1 3 285.435 3.309 20 30 CGEDHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442773368 373075686 /nfs/dbraw/zinc/07/56/86/373075686.db2.gz CJDCJZAXHJGYCI-CRAIPNDOSA-N 1 3 285.435 3.309 20 30 CGEDHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)c1ccc(C#N)cc1 ZINC000278339068 379354106 /nfs/dbraw/zinc/35/41/06/379354106.db2.gz XFGPHKNCAQSXDB-CRAIPNDOSA-N 1 3 285.435 3.331 20 30 CGEDHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(C#N)c1 ZINC000423289457 533448734 /nfs/dbraw/zinc/44/87/34/533448734.db2.gz AWYRTXQHPGDVBP-UONOGXRCSA-N 1 3 279.387 3.429 20 30 CGEDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 ZINC000339095023 392949809 /nfs/dbraw/zinc/94/98/09/392949809.db2.gz DEDUBFQPBVHXED-TWMKSMIVSA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000339078522 392946033 /nfs/dbraw/zinc/94/60/33/392946033.db2.gz DAJBXPMWTXSQOB-GDAAHCPNSA-N 1 3 297.446 3.179 20 30 CGEDHO C[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000339078522 392946037 /nfs/dbraw/zinc/94/60/37/392946037.db2.gz DAJBXPMWTXSQOB-GDAAHCPNSA-N 1 3 297.446 3.179 20 30 CGEDHO C[C@H](CCC#N)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000411740529 392986361 /nfs/dbraw/zinc/98/63/61/392986361.db2.gz CCIUJJFZDHKOLR-NZSAHSFTSA-N 1 3 297.446 3.133 20 30 CGEDHO C[C@H](CCC#N)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000411740529 392986366 /nfs/dbraw/zinc/98/63/66/392986366.db2.gz CCIUJJFZDHKOLR-NZSAHSFTSA-N 1 3 297.446 3.133 20 30 CGEDHO C=CCOc1cccc(CNCc2ccccc2C[NH2+]C)c1 ZINC000650718706 397901654 /nfs/dbraw/zinc/90/16/54/397901654.db2.gz UGWDZCQTRUHZJO-UHFFFAOYSA-N 1 3 296.414 3.261 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2cccc(C)c2)CC1 ZINC000106246152 260095020 /nfs/dbraw/zinc/09/50/20/260095020.db2.gz RGTLVZNLKLNTIL-UHFFFAOYSA-N 1 3 258.409 3.125 20 30 CGEDHO CN(CCCC(C)(C)C#N)CC[C@H]1CCCC[N@@H+]1C ZINC000174877317 261201354 /nfs/dbraw/zinc/20/13/54/261201354.db2.gz GJWWRPQRCHAJES-OAHLLOKOSA-N 1 3 265.445 3.123 20 30 CGEDHO CN(CCCC(C)(C)C#N)CC[C@H]1CCCC[N@H+]1C ZINC000174877317 261201355 /nfs/dbraw/zinc/20/13/55/261201355.db2.gz GJWWRPQRCHAJES-OAHLLOKOSA-N 1 3 265.445 3.123 20 30 CGEDHO C=CCN(Cc1ccccc1F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414691085 263032872 /nfs/dbraw/zinc/03/28/72/263032872.db2.gz NZSHZMWDQHFQHL-CABCVRRESA-N 1 3 276.399 3.202 20 30 CGEDHO C#C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000368043060 267141034 /nfs/dbraw/zinc/14/10/34/267141034.db2.gz OSZWWYJALHNSIC-KRWDZBQOSA-N 1 3 262.441 3.031 20 30 CGEDHO CCCCN1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000567088118 322149887 /nfs/dbraw/zinc/14/98/87/322149887.db2.gz YKPLSHOCOLDRBV-LJQANCHMSA-N 1 3 297.446 3.400 20 30 CGEDHO C=CC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000582560471 329111754 /nfs/dbraw/zinc/11/17/54/329111754.db2.gz KQBDMUUBJZJPFC-AWEZNQCLSA-N 1 3 250.430 3.338 20 30 CGEDHO C[C@H]([NH3+])C[C@H](C)N[C@@H](CCCC#N)c1ccccc1 ZINC000423126878 330171530 /nfs/dbraw/zinc/17/15/30/330171530.db2.gz JFNYWGVSPIFKIW-DZKIICNBSA-N 1 3 259.397 3.137 20 30 CGEDHO C=CCOc1ccccc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459730524 331296329 /nfs/dbraw/zinc/29/63/29/331296329.db2.gz KMRKIXAAJUXKIR-MRXNPFEDSA-N 1 3 288.435 3.073 20 30 CGEDHO C=CCOc1ccccc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459730524 331296330 /nfs/dbraw/zinc/29/63/30/331296330.db2.gz KMRKIXAAJUXKIR-MRXNPFEDSA-N 1 3 288.435 3.073 20 30 CGEDHO C=C(CC)C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309908951 333051232 /nfs/dbraw/zinc/05/12/32/333051232.db2.gz LHULBURVTBFOFS-AEFFLSMTSA-N 1 3 272.436 3.453 20 30 CGEDHO C=C(CC)CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309908951 333051234 /nfs/dbraw/zinc/05/12/34/333051234.db2.gz LHULBURVTBFOFS-AEFFLSMTSA-N 1 3 272.436 3.453 20 30 CGEDHO C=C(CC)CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309908951 333051235 /nfs/dbraw/zinc/05/12/35/333051235.db2.gz LHULBURVTBFOFS-AEFFLSMTSA-N 1 3 272.436 3.453 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NCC[C@H](C)[NH+]1CCCCC1 ZINC000926141060 618168070 /nfs/dbraw/zinc/16/80/70/618168070.db2.gz FIYLKCCUGCSTFH-GJZGRUSLSA-N 1 3 265.445 3.169 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000926141060 618168074 /nfs/dbraw/zinc/16/80/74/618168074.db2.gz FIYLKCCUGCSTFH-GJZGRUSLSA-N 1 3 265.445 3.169 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924687655 620562993 /nfs/dbraw/zinc/56/29/93/620562993.db2.gz XPUYMFIFILKQEI-OWCLPIDISA-N 1 3 279.472 3.272 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924687655 620562995 /nfs/dbraw/zinc/56/29/95/620562995.db2.gz XPUYMFIFILKQEI-OWCLPIDISA-N 1 3 279.472 3.272 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)[C@@]1(C)CCCCO1 ZINC000902753657 621425908 /nfs/dbraw/zinc/42/59/08/621425908.db2.gz RPNUASOPEHLLLV-OKZBNKHCSA-N 1 3 294.483 3.212 20 30 CGEDHO CCCC[NH+]1CCC(N[C@H](C)CC(C)(C)C#N)CC1 ZINC000924846089 622660131 /nfs/dbraw/zinc/66/01/31/622660131.db2.gz KJHJKMHGDQECQF-CQSZACIVSA-N 1 3 265.445 3.169 20 30 CGEDHO C[C@H]1CCC[N@H+](CCCCNCc2csc(C#N)c2)C1 ZINC000921535698 625653798 /nfs/dbraw/zinc/65/37/98/625653798.db2.gz LCQGDTLQKMQLCT-AWEZNQCLSA-N 1 3 291.464 3.221 20 30 CGEDHO C[C@H]1CCC[N@@H+](CCCCNCc2csc(C#N)c2)C1 ZINC000921535698 625653801 /nfs/dbraw/zinc/65/38/01/625653801.db2.gz LCQGDTLQKMQLCT-AWEZNQCLSA-N 1 3 291.464 3.221 20 30 CGEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000817964691 632259901 /nfs/dbraw/zinc/25/99/01/632259901.db2.gz FFUDZXPEGKKNJU-LRDDRELGSA-N 1 3 294.826 3.206 20 30 CGEDHO C#C[C@H](NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C(C)C ZINC000824364195 633236056 /nfs/dbraw/zinc/23/60/56/633236056.db2.gz WAJPAJNLAWEADZ-XLIONFOSSA-N 1 3 298.474 3.329 20 30 CGEDHO C#CCCCCCC[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000877073195 634972418 /nfs/dbraw/zinc/97/24/18/634972418.db2.gz FHFQYIJYLWZSKR-CVEARBPZSA-N 1 3 250.430 3.033 20 30 CGEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000929848346 638956796 /nfs/dbraw/zinc/95/67/96/638956796.db2.gz QYYFJZVXULXCBR-PKOBYXMFSA-N 1 3 297.446 3.091 20 30 CGEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000929848346 638956799 /nfs/dbraw/zinc/95/67/99/638956799.db2.gz QYYFJZVXULXCBR-PKOBYXMFSA-N 1 3 297.446 3.091 20 30 CGEDHO CC[C@H](CC#N)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001255161281 806559628 /nfs/dbraw/zinc/55/96/28/806559628.db2.gz XTQXKMVPMOYEQI-QGZVFWFLSA-N 1 3 277.456 3.170 20 30 CGEDHO Cc1ccc(C(=[NH2+])N[C@H]2CCCN(C3CCCC3)C2)cc1C ZINC001256910273 807006806 /nfs/dbraw/zinc/00/68/06/807006806.db2.gz XDTOUWXYUBSMGK-KRWDZBQOSA-N 1 3 299.462 3.416 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CNC[C@@H]1CC[NH2+]C1 ZINC001245979007 804093489 /nfs/dbraw/zinc/09/34/89/804093489.db2.gz RIMFSSFWUVZQJF-IAGOWNOFSA-N 1 3 284.488 3.077 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN1CC[C@H](C[NH2+]C)C1 ZINC001246048851 804105051 /nfs/dbraw/zinc/10/50/51/804105051.db2.gz NZXKEMXXJYRRFT-MSOLQXFVSA-N 1 3 298.515 3.419 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1N ZINC001246068619 804108500 /nfs/dbraw/zinc/10/85/00/804108500.db2.gz WFIINFKXRBQJSM-YESZJQIVSA-N 1 3 282.472 3.076 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@@H]1N ZINC001246068619 804108504 /nfs/dbraw/zinc/10/85/04/804108504.db2.gz WFIINFKXRBQJSM-YESZJQIVSA-N 1 3 282.472 3.076 20 30 CGEDHO CCCCCCCC[C@@H](CC)N[C@@H]1COCCC12C[NH2+]C2 ZINC001246139927 804164016 /nfs/dbraw/zinc/16/40/16/804164016.db2.gz YIQNPHAWLRYFLT-IAGOWNOFSA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCCC[C@@H](CC)[NH2+][C@@H]1COCCC12CNC2 ZINC001246139927 804164022 /nfs/dbraw/zinc/16/40/22/804164022.db2.gz YIQNPHAWLRYFLT-IAGOWNOFSA-N 1 3 296.499 3.484 20 30 CGEDHO CCCN(CCC[NH+](C)C)Cc1c[nH]c2c1cccc2C#N ZINC001139706637 804260774 /nfs/dbraw/zinc/26/07/74/804260774.db2.gz CILYCCDETIDFEO-UHFFFAOYSA-N 1 3 298.434 3.203 20 30 CGEDHO CCCCCCCC[C@@H](CC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246420215 804327907 /nfs/dbraw/zinc/32/79/07/804327907.db2.gz YAXHUDMYORWMCO-CVEARBPZSA-N 1 3 299.503 3.088 20 30 CGEDHO CCCCCCCCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246656144 804480978 /nfs/dbraw/zinc/48/09/78/804480978.db2.gz IYKJUMQSSRIWAI-CAOSSQGBSA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCCCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246656144 804480982 /nfs/dbraw/zinc/48/09/82/804480982.db2.gz IYKJUMQSSRIWAI-CAOSSQGBSA-N 1 3 252.446 3.405 20 30 CGEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(C)(C)c1ccc(C#N)cc1)C2 ZINC001172103136 808175046 /nfs/dbraw/zinc/17/50/46/808175046.db2.gz SIQOWAYYWUJDGY-NNZMDNLPSA-N 1 3 297.446 3.398 20 30 CGEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(C)(C)c1ccc(C#N)cc1)C2 ZINC001172103136 808175048 /nfs/dbraw/zinc/17/50/48/808175048.db2.gz SIQOWAYYWUJDGY-NNZMDNLPSA-N 1 3 297.446 3.398 20 30 CGEDHO C[C@H]1CCN(Cc2cc(C#N)ccc2Cl)CC[C@H]1C[NH3+] ZINC001205627642 813034491 /nfs/dbraw/zinc/03/44/91/813034491.db2.gz RFKQQNKPGGXPIT-JSGCOSHPSA-N 1 3 291.826 3.018 20 30 CGEDHO C[C@]1(C[NH3+])CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC001206326471 813290070 /nfs/dbraw/zinc/29/00/70/813290070.db2.gz OABURDPPKUTMEC-INIZCTEOSA-N 1 3 291.826 3.163 20 30 CGEDHO C#Cc1cccc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206590407 813367290 /nfs/dbraw/zinc/36/72/90/813367290.db2.gz LFTMSPSOFRAAIO-SFHVURJKSA-N 1 3 270.420 3.020 20 30 CGEDHO C#CCCCN1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001209268031 813989954 /nfs/dbraw/zinc/98/99/54/813989954.db2.gz QDDAWDLDFMVDTI-UHFFFAOYSA-N 1 3 288.410 3.135 20 30 CGEDHO C#CCCCN1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001209268031 813989959 /nfs/dbraw/zinc/98/99/59/813989959.db2.gz QDDAWDLDFMVDTI-UHFFFAOYSA-N 1 3 288.410 3.135 20 30 CGEDHO CCCCCCCCCCCN1CCN(CC[NH3+])CC1 ZINC001209976675 814227507 /nfs/dbraw/zinc/22/75/07/814227507.db2.gz YJGCCLBKROOKDT-UHFFFAOYSA-N 1 3 283.504 3.094 20 30 CGEDHO C=CCCCCC[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001235174531 819024328 /nfs/dbraw/zinc/02/43/28/819024328.db2.gz UCRXYTLDGZOZDC-INIZCTEOSA-N 1 3 250.430 3.341 20 30 CGEDHO C=CCCCCC[N@H+]1CCCC[C@@]12CCCNC2 ZINC001235174531 819024331 /nfs/dbraw/zinc/02/43/31/819024331.db2.gz UCRXYTLDGZOZDC-INIZCTEOSA-N 1 3 250.430 3.341 20 30 CGEDHO CCC(N)(CC)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591577702 346929879 /nfs/dbraw/zinc/92/98/79/346929879.db2.gz HQRJYXRAESWJLI-MRXNPFEDSA-N 1 3 271.408 3.043 20 30 CGEDHO C=CCOc1cccc(C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000623654535 349856393 /nfs/dbraw/zinc/85/63/93/349856393.db2.gz BVMRKYJNBDFULG-QGZVFWFLSA-N 1 3 288.435 3.073 20 30 CGEDHO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000623654546 349856923 /nfs/dbraw/zinc/85/69/23/349856923.db2.gz CEOLKQYWGIFPSR-KRWDZBQOSA-N 1 3 288.435 3.073 20 30 CGEDHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000593324545 347063044 /nfs/dbraw/zinc/06/30/44/347063044.db2.gz WXDJKUGUJDNAIE-CQSZACIVSA-N 1 3 279.387 3.128 20 30 CGEDHO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000594494819 347177462 /nfs/dbraw/zinc/17/74/62/347177462.db2.gz IFJCUMVBZFADOO-INIZCTEOSA-N 1 3 297.446 3.062 20 30 CGEDHO N#CC1CCC(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000335024159 283050179 /nfs/dbraw/zinc/05/01/79/283050179.db2.gz XBJHWKYWWFZPHC-DNDXXGFKSA-N 1 3 269.392 3.051 20 30 CGEDHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000423289456 236026016 /nfs/dbraw/zinc/02/60/16/236026016.db2.gz AWYRTXQHPGDVBP-KGLIPLIRSA-N 1 3 279.387 3.429 20 30 CGEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCCC1)CC2 ZINC000353390084 220058467 /nfs/dbraw/zinc/05/84/67/220058467.db2.gz TZTPPZBMNFZXHU-GOSISDBHSA-N 1 3 283.419 3.011 20 30 CGEDHO N#C[C@@H]1CC[C@@H](NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000442636028 373061077 /nfs/dbraw/zinc/06/10/77/373061077.db2.gz RNFANJYHRDWXNC-IAGOWNOFSA-N 1 3 289.467 3.457 20 30 CGEDHO C=C[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499221581 375630954 /nfs/dbraw/zinc/63/09/54/375630954.db2.gz ZWWOMEZGABWLAD-NRSFXHEJSA-N 1 3 270.420 3.346 20 30 CGEDHO C=C[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221581 375630957 /nfs/dbraw/zinc/63/09/57/375630957.db2.gz ZWWOMEZGABWLAD-NRSFXHEJSA-N 1 3 270.420 3.346 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC[C@H]1CCCCN1C ZINC000247502065 377214836 /nfs/dbraw/zinc/21/48/36/377214836.db2.gz LURPHTDDLHRGHY-CRAIPNDOSA-N 1 3 285.435 3.425 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC[C@H]1CCCCN1C ZINC000247502065 377214841 /nfs/dbraw/zinc/21/48/41/377214841.db2.gz LURPHTDDLHRGHY-CRAIPNDOSA-N 1 3 285.435 3.425 20 30 CGEDHO Cc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1C#N ZINC000362936676 382156766 /nfs/dbraw/zinc/15/67/66/382156766.db2.gz XKACYHQXMDPHPW-UHFFFAOYSA-N 1 3 285.435 3.030 20 30 CGEDHO C=CCOCCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339025268 392941677 /nfs/dbraw/zinc/94/16/77/392941677.db2.gz CVKLJWPJBSTDKY-QGZVFWFLSA-N 1 3 294.483 3.166 20 30 CGEDHO C=CCOCCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339025268 392941683 /nfs/dbraw/zinc/94/16/83/392941683.db2.gz CVKLJWPJBSTDKY-QGZVFWFLSA-N 1 3 294.483 3.166 20 30 CGEDHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000341693924 392989949 /nfs/dbraw/zinc/98/99/49/392989949.db2.gz HQSKJOMEOYNEFJ-RPVQJOFSSA-N 1 3 283.419 3.008 20 30 CGEDHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000341693924 392989953 /nfs/dbraw/zinc/98/99/53/392989953.db2.gz HQSKJOMEOYNEFJ-RPVQJOFSSA-N 1 3 283.419 3.008 20 30 CGEDHO C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000351717365 393194688 /nfs/dbraw/zinc/19/46/88/393194688.db2.gz DJAKHHYYJYBHNE-HUUCEWRRSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCOc1ccc(CNCc2ccccc2C[NH2+]C)cc1 ZINC000650718851 397901429 /nfs/dbraw/zinc/90/14/29/397901429.db2.gz YAQYSACZJRDRJH-UHFFFAOYSA-N 1 3 296.414 3.261 20 30 CGEDHO CCC#C[C@@H](C)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000677477496 543450171 /nfs/dbraw/zinc/45/01/71/543450171.db2.gz IOIPKPKYXNLOJY-MRXNPFEDSA-N 1 3 264.457 3.232 20 30 CGEDHO CCC#C[C@@H](C)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000677477496 543450172 /nfs/dbraw/zinc/45/01/72/543450172.db2.gz IOIPKPKYXNLOJY-MRXNPFEDSA-N 1 3 264.457 3.232 20 30 CGEDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000423014000 286913902 /nfs/dbraw/zinc/91/39/02/286913902.db2.gz HGDMLPDWNVJPGF-CABCVRRESA-N 1 3 293.414 3.441 20 30 CGEDHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(C#N)cc1 ZINC000020128759 171016246 /nfs/dbraw/zinc/01/62/46/171016246.db2.gz UQRZSUVEASJESN-HNNXBMFYSA-N 1 3 271.408 3.085 20 30 CGEDHO CN1CC=C(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000335680426 277023577 /nfs/dbraw/zinc/02/35/77/277023577.db2.gz YQUIBNXTDOINKR-IBGZPJMESA-N 1 3 295.430 3.177 20 30 CGEDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417385672 288104481 /nfs/dbraw/zinc/10/44/81/288104481.db2.gz MEYRCDVRWLKVKH-QZCPTFHJSA-N 1 3 297.446 3.254 20 30 CGEDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417385672 288104485 /nfs/dbraw/zinc/10/44/85/288104485.db2.gz MEYRCDVRWLKVKH-QZCPTFHJSA-N 1 3 297.446 3.254 20 30 CGEDHO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000261631145 327401291 /nfs/dbraw/zinc/40/12/91/327401291.db2.gz VXJLUFWXXQMXDC-BZUAXINKSA-N 1 3 264.457 3.489 20 30 CGEDHO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000185895745 329334792 /nfs/dbraw/zinc/33/47/92/329334792.db2.gz WLHWAMKJPGBLSG-LUKYLMHMSA-N 1 3 289.467 3.311 20 30 CGEDHO C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185895745 329334793 /nfs/dbraw/zinc/33/47/93/329334793.db2.gz WLHWAMKJPGBLSG-LUKYLMHMSA-N 1 3 289.467 3.311 20 30 CGEDHO C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185895745 329334794 /nfs/dbraw/zinc/33/47/94/329334794.db2.gz WLHWAMKJPGBLSG-LUKYLMHMSA-N 1 3 289.467 3.311 20 30 CGEDHO C=CCCCCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000488469318 332012190 /nfs/dbraw/zinc/01/21/90/332012190.db2.gz ZDEHIDNLZNKQOH-QGZVFWFLSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCCCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000488469318 332012192 /nfs/dbraw/zinc/01/21/92/332012192.db2.gz ZDEHIDNLZNKQOH-QGZVFWFLSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCCCC[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000488469318 332012194 /nfs/dbraw/zinc/01/21/94/332012194.db2.gz ZDEHIDNLZNKQOH-QGZVFWFLSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCCCC[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000488469318 332012195 /nfs/dbraw/zinc/01/21/95/332012195.db2.gz ZDEHIDNLZNKQOH-QGZVFWFLSA-N 1 3 264.457 3.397 20 30 CGEDHO C[C@H]1C[C@H](C)CN(CCC[NH2+]CC(C)(C)CCC#N)C1 ZINC000174273449 335151955 /nfs/dbraw/zinc/15/19/55/335151955.db2.gz JFZXTVRECNHRCF-HOTGVXAUSA-N 1 3 279.472 3.274 20 30 CGEDHO CC(C)N1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174352163 335153301 /nfs/dbraw/zinc/15/33/01/335153301.db2.gz GZJZMJAYDCVKMR-HNNXBMFYSA-N 1 3 265.445 3.026 20 30 CGEDHO C=CCC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)C1CC1 ZINC000245967429 334225977 /nfs/dbraw/zinc/22/59/77/334225977.db2.gz USRMPAAPLPQQIB-DOTOQJQBSA-N 1 3 264.457 3.441 20 30 CGEDHO C[NH+]1CCC(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000892200305 618590408 /nfs/dbraw/zinc/59/04/08/618590408.db2.gz DLSQZPWGJZCUJP-RTBURBONSA-N 1 3 297.446 3.100 20 30 CGEDHO C=CCC[C@@H](CC)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382172 621724292 /nfs/dbraw/zinc/72/42/92/621724292.db2.gz DAFKEXGKCIVVIC-IAGOWNOFSA-N 1 3 275.440 3.409 20 30 CGEDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000775397018 628089719 /nfs/dbraw/zinc/08/97/19/628089719.db2.gz RUEPWSSFHNEZMZ-YQVWRLOYSA-N 1 3 297.446 3.398 20 30 CGEDHO C[C@@H](NCc1ccc(C#N)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924698297 638391145 /nfs/dbraw/zinc/39/11/45/638391145.db2.gz DSNOZKBZIPWEHV-OAHLLOKOSA-N 1 3 293.414 3.471 20 30 CGEDHO CCCN1CCC([N@H+](C)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000929777012 638949589 /nfs/dbraw/zinc/94/95/89/638949589.db2.gz FKNPTUZHVXHMMY-UHFFFAOYSA-N 1 3 299.462 3.481 20 30 CGEDHO CCCN1CCC([N@@H+](C)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000929777012 638949591 /nfs/dbraw/zinc/94/95/91/638949591.db2.gz FKNPTUZHVXHMMY-UHFFFAOYSA-N 1 3 299.462 3.481 20 30 CGEDHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC001254672052 806481412 /nfs/dbraw/zinc/48/14/12/806481412.db2.gz WWXJTBGBHSWAOV-LTIDMASMSA-N 1 3 275.440 3.017 20 30 CGEDHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC001254672052 806481419 /nfs/dbraw/zinc/48/14/19/806481419.db2.gz WWXJTBGBHSWAOV-LTIDMASMSA-N 1 3 275.440 3.017 20 30 CGEDHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@@H]1CC[C@@H](C#N)C1 ZINC001254672052 806481425 /nfs/dbraw/zinc/48/14/25/806481425.db2.gz WWXJTBGBHSWAOV-LTIDMASMSA-N 1 3 275.440 3.017 20 30 CGEDHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@@H]1CC[C@@H](C#N)C1 ZINC001254672052 806481429 /nfs/dbraw/zinc/48/14/29/806481429.db2.gz WWXJTBGBHSWAOV-LTIDMASMSA-N 1 3 275.440 3.017 20 30 CGEDHO C#C[C@@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)C ZINC000716624118 800177271 /nfs/dbraw/zinc/17/72/71/800177271.db2.gz DKFIAUDUOLTHJC-LWYYNNOASA-N 1 3 296.458 3.287 20 30 CGEDHO C#C[C@@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716624118 800177274 /nfs/dbraw/zinc/17/72/74/800177274.db2.gz DKFIAUDUOLTHJC-LWYYNNOASA-N 1 3 296.458 3.287 20 30 CGEDHO C#C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716624118 800177276 /nfs/dbraw/zinc/17/72/76/800177276.db2.gz DKFIAUDUOLTHJC-LWYYNNOASA-N 1 3 296.458 3.287 20 30 CGEDHO C=CCCCCCC[C@@H](O)C[N@@H+](CCC)C1CCNCC1 ZINC001246071629 804110155 /nfs/dbraw/zinc/11/01/55/804110155.db2.gz SDNYWQABRSXECC-GOSISDBHSA-N 1 3 296.499 3.338 20 30 CGEDHO C=CCCCCCC[C@@H](O)C[N@H+](CCC)C1CCNCC1 ZINC001246071629 804110157 /nfs/dbraw/zinc/11/01/57/804110157.db2.gz SDNYWQABRSXECC-GOSISDBHSA-N 1 3 296.499 3.338 20 30 CGEDHO CCCCCCCC[C@H](CC)[NH2+][C@@H]1CC12CNC2 ZINC001246444319 804333630 /nfs/dbraw/zinc/33/36/30/804333630.db2.gz KFCHLNOTHVEKCI-LSDHHAIUSA-N 1 3 252.446 3.467 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@]4(C3)CCCNC4)C[C@H](C1)C2 ZINC001246600964 804438959 /nfs/dbraw/zinc/43/89/59/804438959.db2.gz FOGHIYMPONUQIX-UJJTZGENSA-N 1 3 274.452 3.197 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@]4(C3)CCCNC4)C[C@H](C1)C2 ZINC001246600964 804438962 /nfs/dbraw/zinc/43/89/62/804438962.db2.gz FOGHIYMPONUQIX-UJJTZGENSA-N 1 3 274.452 3.197 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@@]4(C3)CCCNC4)C[C@H](C1)C2 ZINC001246600965 804439020 /nfs/dbraw/zinc/43/90/20/804439020.db2.gz FOGHIYMPONUQIX-WFFDWFOESA-N 1 3 274.452 3.197 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@@]4(C3)CCCNC4)C[C@H](C1)C2 ZINC001246600965 804439023 /nfs/dbraw/zinc/43/90/23/804439023.db2.gz FOGHIYMPONUQIX-WFFDWFOESA-N 1 3 274.452 3.197 20 30 CGEDHO C=CCC[N@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](C)C1 ZINC001246799403 804521948 /nfs/dbraw/zinc/52/19/48/804521948.db2.gz ZDCMARMIRKNDGL-DOTOQJQBSA-N 1 3 258.409 3.205 20 30 CGEDHO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](C)C1 ZINC001246799403 804521950 /nfs/dbraw/zinc/52/19/50/804521950.db2.gz ZDCMARMIRKNDGL-DOTOQJQBSA-N 1 3 258.409 3.205 20 30 CGEDHO C=CCCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246799403 804521956 /nfs/dbraw/zinc/52/19/56/804521956.db2.gz ZDCMARMIRKNDGL-DOTOQJQBSA-N 1 3 258.409 3.205 20 30 CGEDHO CCCCCCC[C@@H](C)[N@H+](CCOC)C1CCNCC1 ZINC001246838630 804546113 /nfs/dbraw/zinc/54/61/13/804546113.db2.gz ZDWMJDBIEPFAEJ-MRXNPFEDSA-N 1 3 284.488 3.436 20 30 CGEDHO CCCCCCC[C@@H](C)[N@@H+](CCOC)C1CCNCC1 ZINC001246838630 804546117 /nfs/dbraw/zinc/54/61/17/804546117.db2.gz ZDWMJDBIEPFAEJ-MRXNPFEDSA-N 1 3 284.488 3.436 20 30 CGEDHO C[C@@H]1CC([NH+]2CCC(C#Cc3ccccc3)CC2)C[C@@H](C)N1 ZINC001246920744 804600224 /nfs/dbraw/zinc/60/02/24/804600224.db2.gz FGSQGRBJDYKRLI-IAGOWNOFSA-N 1 3 296.458 3.279 20 30 CGEDHO C[C@@H]1CC(N2CCC(C#Cc3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC001246920744 804600226 /nfs/dbraw/zinc/60/02/26/804600226.db2.gz FGSQGRBJDYKRLI-IAGOWNOFSA-N 1 3 296.458 3.279 20 30 CGEDHO C=CCC[C@H](C)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001258724442 807572368 /nfs/dbraw/zinc/57/23/68/807572368.db2.gz WPKOXRPFYROGNH-HNNXBMFYSA-N 1 3 258.409 3.291 20 30 CGEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCN1CCC(C)CC1 ZINC001171178763 808000878 /nfs/dbraw/zinc/00/08/78/808000878.db2.gz KVZFOBNBJWJKRD-QGZVFWFLSA-N 1 3 299.462 3.201 20 30 CGEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCN1CCCC[C@H]1C ZINC001171182042 808001704 /nfs/dbraw/zinc/00/17/04/808001704.db2.gz RZUMCSGUBDTUBA-DLBZAZTESA-N 1 3 299.462 3.343 20 30 CGEDHO C=CCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982350 808165488 /nfs/dbraw/zinc/16/54/88/808165488.db2.gz HOCGTDQNWHPCPP-MRXNPFEDSA-N 1 3 258.409 3.205 20 30 CGEDHO C=CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982350 808165493 /nfs/dbraw/zinc/16/54/93/808165493.db2.gz HOCGTDQNWHPCPP-MRXNPFEDSA-N 1 3 258.409 3.205 20 30 CGEDHO CCCCN(C)CCC[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172296139 808218736 /nfs/dbraw/zinc/21/87/36/808218736.db2.gz XJSASHWXQAWQNU-INIZCTEOSA-N 1 3 287.451 3.201 20 30 CGEDHO CCCCCCC/C=C/CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001205665702 813048132 /nfs/dbraw/zinc/04/81/32/813048132.db2.gz UAXBBGZNQBBLBF-SYJIQKIWSA-N 1 3 282.472 3.079 20 30 CGEDHO C=CCOc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206542392 813344207 /nfs/dbraw/zinc/34/42/07/813344207.db2.gz ZXYXTSJUHYDWOC-GOSISDBHSA-N 1 3 288.435 3.202 20 30 CGEDHO Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)CN(C)C)ccc1C#N ZINC001206801469 813440059 /nfs/dbraw/zinc/44/00/59/813440059.db2.gz WNUHMTUCZDLMOO-LPHOPBHVSA-N 1 3 299.462 3.419 20 30 CGEDHO Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CN(C)C)ccc1C#N ZINC001206801469 813440062 /nfs/dbraw/zinc/44/00/62/813440062.db2.gz WNUHMTUCZDLMOO-LPHOPBHVSA-N 1 3 299.462 3.419 20 30 CGEDHO CCCCCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234990031 818969949 /nfs/dbraw/zinc/96/99/49/818969949.db2.gz BUNYEOGSJZUNRA-MRXNPFEDSA-N 1 3 252.446 3.422 20 30 CGEDHO C=CCCN(Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC001235703026 819147013 /nfs/dbraw/zinc/14/70/13/819147013.db2.gz ORKRDSJQPQXMQD-KRWDZBQOSA-N 1 3 258.409 3.064 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+](C)[C@H]2CCCC[C@H]2N)CC1 ZINC001236211083 819371877 /nfs/dbraw/zinc/37/18/77/819371877.db2.gz GXBOAKGXCWGRNL-ZACQAIPSSA-N 1 3 262.441 3.491 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@H]2CCCC[C@H]2N)CC1 ZINC001236211083 819371886 /nfs/dbraw/zinc/37/18/86/819371886.db2.gz GXBOAKGXCWGRNL-ZACQAIPSSA-N 1 3 262.441 3.491 20 30 CGEDHO C#CC[N@@H+](C[C@H](N)CCC(C)(C)C)C1CCCCC1 ZINC001574637222 962309439 /nfs/dbraw/zinc/30/94/39/962309439.db2.gz KDRSVRMCZQGPLB-OAHLLOKOSA-N 1 3 264.457 3.408 20 30 CGEDHO C#CC[N@H+](C[C@H](N)CCC(C)(C)C)C1CCCCC1 ZINC001574637222 962309460 /nfs/dbraw/zinc/30/94/60/962309460.db2.gz KDRSVRMCZQGPLB-OAHLLOKOSA-N 1 3 264.457 3.408 20 30 CGEDHO C[C@H](CCC#N)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000591011324 346894504 /nfs/dbraw/zinc/89/45/04/346894504.db2.gz PZBIQOSURCWBAK-MRXNPFEDSA-N 1 3 277.456 3.267 20 30 CGEDHO C#CCCCC[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000090397946 345787409 /nfs/dbraw/zinc/78/74/09/345787409.db2.gz FQHYMOAOBSFSJJ-WMZOPIPTSA-N 1 3 276.468 3.423 20 30 CGEDHO C#CCCCCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000090397946 345787411 /nfs/dbraw/zinc/78/74/11/345787411.db2.gz FQHYMOAOBSFSJJ-WMZOPIPTSA-N 1 3 276.468 3.423 20 30 CGEDHO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000596059289 347378127 /nfs/dbraw/zinc/37/81/27/347378127.db2.gz OKKCIBOQIVWFHA-INIZCTEOSA-N 1 3 277.456 3.028 20 30 CGEDHO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121045 349978803 /nfs/dbraw/zinc/97/88/03/349978803.db2.gz MNMZJHAEICUMGU-JKSUJKDBSA-N 1 3 252.446 3.443 20 30 CGEDHO CC(C)(C)N1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618805213 349157101 /nfs/dbraw/zinc/15/71/01/349157101.db2.gz FAZDDFOFSHNPDQ-GOSISDBHSA-N 1 3 297.446 3.398 20 30 CGEDHO C=CC[C@@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000628405842 350529966 /nfs/dbraw/zinc/52/99/66/350529966.db2.gz WAQMISMQQHYCNA-MRXNPFEDSA-N 1 3 288.435 3.025 20 30 CGEDHO C=CC[C@@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000628405842 350529969 /nfs/dbraw/zinc/52/99/69/350529969.db2.gz WAQMISMQQHYCNA-MRXNPFEDSA-N 1 3 288.435 3.025 20 30 CGEDHO C=CCCC(C)(C)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000635024412 351633925 /nfs/dbraw/zinc/63/39/25/351633925.db2.gz XVOHNWTYXJAVBL-CYBMUJFWSA-N 1 3 275.440 3.492 20 30 CGEDHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000181438941 189296796 /nfs/dbraw/zinc/29/67/96/189296796.db2.gz UAGMULQGZDQWLQ-OAHLLOKOSA-N 1 3 293.414 3.471 20 30 CGEDHO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C1CC1 ZINC000121554038 370872422 /nfs/dbraw/zinc/87/24/22/370872422.db2.gz NIQOKNVPNJYUGS-XHSDSOJGSA-N 1 3 250.430 3.194 20 30 CGEDHO C=CC[C@H](C)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000180950274 374062591 /nfs/dbraw/zinc/06/25/91/374062591.db2.gz ZRFYSOFTVNGEHV-LSDHHAIUSA-N 1 3 276.424 3.242 20 30 CGEDHO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCN1CCCC1 ZINC000337281061 376188567 /nfs/dbraw/zinc/18/85/67/376188567.db2.gz VXGMHMMDRVHXNQ-HNNXBMFYSA-N 1 3 271.408 3.037 20 30 CGEDHO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCN1CCCC1 ZINC000337281061 376188569 /nfs/dbraw/zinc/18/85/69/376188569.db2.gz VXGMHMMDRVHXNQ-HNNXBMFYSA-N 1 3 271.408 3.037 20 30 CGEDHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000245895338 376926599 /nfs/dbraw/zinc/92/65/99/376926599.db2.gz MYUFMWTXMDHLHQ-WBVHZDCISA-N 1 3 285.435 3.329 20 30 CGEDHO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000248012433 377258481 /nfs/dbraw/zinc/25/84/81/377258481.db2.gz LKQXFZMWMOTOAR-YQQAZPJKSA-N 1 3 288.435 3.070 20 30 CGEDHO C#CCCC[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000376197014 379528601 /nfs/dbraw/zinc/52/86/01/379528601.db2.gz PQUFTQXHZAMGKW-WBVHZDCISA-N 1 3 262.441 3.033 20 30 CGEDHO C#CCCCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000376197014 379528605 /nfs/dbraw/zinc/52/86/05/379528605.db2.gz PQUFTQXHZAMGKW-WBVHZDCISA-N 1 3 262.441 3.033 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546383 380359475 /nfs/dbraw/zinc/35/94/75/380359475.db2.gz NWOFFAKNZIBYPZ-GJZGRUSLSA-N 1 3 250.430 3.386 20 30 CGEDHO N#CCCCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285531079 263094083 /nfs/dbraw/zinc/09/40/83/263094083.db2.gz KWTAVLXRMRQZFG-IBGZPJMESA-N 1 3 297.446 3.278 20 30 CGEDHO N#CCCCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285531079 263094084 /nfs/dbraw/zinc/09/40/84/263094084.db2.gz KWTAVLXRMRQZFG-IBGZPJMESA-N 1 3 297.446 3.278 20 30 CGEDHO C=C(C)COCCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340305516 263107769 /nfs/dbraw/zinc/10/77/69/263107769.db2.gz LHXNYXWLZSEIHF-ZWKOTPCHSA-N 1 3 288.435 3.004 20 30 CGEDHO C=C(C)COCCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340305516 263107770 /nfs/dbraw/zinc/10/77/70/263107770.db2.gz LHXNYXWLZSEIHF-ZWKOTPCHSA-N 1 3 288.435 3.004 20 30 CGEDHO C#C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000368043062 267141307 /nfs/dbraw/zinc/14/13/07/267141307.db2.gz OSZWWYJALHNSIC-QGZVFWFLSA-N 1 3 262.441 3.031 20 30 CGEDHO C=CCOc1cccc(CN(CCC)C2CC[NH2+]CC2)c1 ZINC000347121032 526898686 /nfs/dbraw/zinc/89/86/86/526898686.db2.gz ZPNVIPWDENRLFR-UHFFFAOYSA-N 1 3 288.435 3.215 20 30 CGEDHO C=CCOc1cccc(C[N@@H+](CCC)C2CCNCC2)c1 ZINC000347121032 526898691 /nfs/dbraw/zinc/89/86/91/526898691.db2.gz ZPNVIPWDENRLFR-UHFFFAOYSA-N 1 3 288.435 3.215 20 30 CGEDHO C=CCOc1cccc(C[N@H+](CCC)C2CCNCC2)c1 ZINC000347121032 526898693 /nfs/dbraw/zinc/89/86/93/526898693.db2.gz ZPNVIPWDENRLFR-UHFFFAOYSA-N 1 3 288.435 3.215 20 30 CGEDHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000924958242 619461698 /nfs/dbraw/zinc/46/16/98/619461698.db2.gz DMCCAAVKLYLWNN-LSDHHAIUSA-N 1 3 265.445 3.025 20 30 CGEDHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000924958242 619461699 /nfs/dbraw/zinc/46/16/99/619461699.db2.gz DMCCAAVKLYLWNN-LSDHHAIUSA-N 1 3 265.445 3.025 20 30 CGEDHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000924958242 619461702 /nfs/dbraw/zinc/46/17/02/619461702.db2.gz DMCCAAVKLYLWNN-LSDHHAIUSA-N 1 3 265.445 3.025 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NC1CC[NH+](C2CCCC2)CC1 ZINC000925222597 620240657 /nfs/dbraw/zinc/24/06/57/620240657.db2.gz XCODDYFGMULGMT-AWEZNQCLSA-N 1 3 277.456 3.311 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000925222597 620240663 /nfs/dbraw/zinc/24/06/63/620240663.db2.gz XCODDYFGMULGMT-AWEZNQCLSA-N 1 3 277.456 3.311 20 30 CGEDHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000902818733 621454520 /nfs/dbraw/zinc/45/45/20/621454520.db2.gz POFNPEJVXFZXSA-XYPHTWIQSA-N 1 3 271.408 3.082 20 30 CGEDHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000902818733 621454525 /nfs/dbraw/zinc/45/45/25/621454525.db2.gz POFNPEJVXFZXSA-XYPHTWIQSA-N 1 3 271.408 3.082 20 30 CGEDHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903713594 621798530 /nfs/dbraw/zinc/79/85/30/621798530.db2.gz XBMWEVNTCXSJKZ-HUUCEWRRSA-N 1 3 263.429 3.052 20 30 CGEDHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903713594 621798532 /nfs/dbraw/zinc/79/85/32/621798532.db2.gz XBMWEVNTCXSJKZ-HUUCEWRRSA-N 1 3 263.429 3.052 20 30 CGEDHO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000863543091 629601676 /nfs/dbraw/zinc/60/16/76/629601676.db2.gz VOVORZYPMASCPQ-LSDHHAIUSA-N 1 3 250.430 3.386 20 30 CGEDHO C#Cc1ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000809618908 630763119 /nfs/dbraw/zinc/76/31/19/630763119.db2.gz RQZFVCRJBQSBLO-KRWDZBQOSA-N 1 3 272.436 3.124 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000926737299 638805505 /nfs/dbraw/zinc/80/55/05/638805505.db2.gz FAFPKXVULINHOL-ZBFHGGJFSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737299 638805506 /nfs/dbraw/zinc/80/55/06/638805506.db2.gz FAFPKXVULINHOL-ZBFHGGJFSA-N 1 3 277.456 3.026 20 30 CGEDHO C#C[C@](C)(CC)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255393809 806632957 /nfs/dbraw/zinc/63/29/57/806632957.db2.gz RKDJKZWTBUNUFK-RBUKOAKNSA-N 1 3 284.447 3.433 20 30 CGEDHO C#C[C@](C)(CC)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393809 806632959 /nfs/dbraw/zinc/63/29/59/806632959.db2.gz RKDJKZWTBUNUFK-RBUKOAKNSA-N 1 3 284.447 3.433 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CNC(C)(C)C[NH3+] ZINC001245999228 804094898 /nfs/dbraw/zinc/09/48/98/804094898.db2.gz ZPXRZRKZPMBZAE-OAHLLOKOSA-N 1 3 272.477 3.205 20 30 CGEDHO CCCCCCCC[C@@H](O)CNCC[C@H]1CCCC[NH2+]1 ZINC001246002188 804096952 /nfs/dbraw/zinc/09/69/52/804096952.db2.gz NNEBZCNNPDBNJF-IAGOWNOFSA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN1CC[C@H](C[NH2+]C)C1 ZINC001246048852 804103959 /nfs/dbraw/zinc/10/39/59/804103959.db2.gz NZXKEMXXJYRRFT-QZTJIDSGSA-N 1 3 298.515 3.419 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1N ZINC001246068614 804108899 /nfs/dbraw/zinc/10/88/99/804108899.db2.gz WFIINFKXRBQJSM-GVDBMIGSSA-N 1 3 282.472 3.076 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1N ZINC001246068614 804108903 /nfs/dbraw/zinc/10/89/03/804108903.db2.gz WFIINFKXRBQJSM-GVDBMIGSSA-N 1 3 282.472 3.076 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+]C[C@H]1CNCC[C@H]1F ZINC001246223047 804217213 /nfs/dbraw/zinc/21/72/13/804217213.db2.gz PJEGNVVLPKMCFI-RRFJBIMHSA-N 1 3 258.425 3.273 20 30 CGEDHO CCCCCCC[C@H](CC(C)C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246588238 804432099 /nfs/dbraw/zinc/43/20/99/804432099.db2.gz YFQVDJZCXQRFDP-BBWFWOEESA-N 1 3 284.488 3.013 20 30 CGEDHO CCCCCCC[C@H](CC(C)C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246588238 804432103 /nfs/dbraw/zinc/43/21/03/804432103.db2.gz YFQVDJZCXQRFDP-BBWFWOEESA-N 1 3 284.488 3.013 20 30 CGEDHO N#Cc1ccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246899571 804586498 /nfs/dbraw/zinc/58/64/98/804586498.db2.gz RLAQMWFCGGYEMF-DFNIBXOVSA-N 1 3 295.430 3.021 20 30 CGEDHO C=CC[N@H+](C1CCCCC1)[C@H]1CCNC(C)(C)C1 ZINC001246944249 804612375 /nfs/dbraw/zinc/61/23/75/804612375.db2.gz BMZMAGCUYSOMCZ-HNNXBMFYSA-N 1 3 250.430 3.338 20 30 CGEDHO C=CC[N@@H+](C1CCCCC1)[C@H]1CCNC(C)(C)C1 ZINC001246944249 804612378 /nfs/dbraw/zinc/61/23/78/804612378.db2.gz BMZMAGCUYSOMCZ-HNNXBMFYSA-N 1 3 250.430 3.338 20 30 CGEDHO C=CC[N@H+](C1CCCCC1)[C@H]1CCN[C@H](CC)C1 ZINC001246944842 804612907 /nfs/dbraw/zinc/61/29/07/804612907.db2.gz CYPMKPBPLDSWET-ZBFHGGJFSA-N 1 3 250.430 3.338 20 30 CGEDHO C=CC[N@@H+](C1CCCCC1)[C@H]1CCN[C@H](CC)C1 ZINC001246944842 804612911 /nfs/dbraw/zinc/61/29/11/804612911.db2.gz CYPMKPBPLDSWET-ZBFHGGJFSA-N 1 3 250.430 3.338 20 30 CGEDHO N#Cc1cccc2c1CC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC001168362780 807393106 /nfs/dbraw/zinc/39/31/06/807393106.db2.gz IRDCNKIQLHNYNW-LJQANCHMSA-N 1 3 295.430 3.010 20 30 CGEDHO CC(C)[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001169107092 807577622 /nfs/dbraw/zinc/57/76/22/807577622.db2.gz CHBAGTGHBLDYBX-FCGDIQPGSA-N 1 3 297.446 3.470 20 30 CGEDHO CC(C)[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001169107092 807577627 /nfs/dbraw/zinc/57/76/27/807577627.db2.gz CHBAGTGHBLDYBX-FCGDIQPGSA-N 1 3 297.446 3.470 20 30 CGEDHO CCCCN(C)CCC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171180475 808001948 /nfs/dbraw/zinc/00/19/48/808001948.db2.gz ALLUZJFJRBTHTN-MRXNPFEDSA-N 1 3 287.451 3.201 20 30 CGEDHO C[C@]1(C[NH3+])CCCN(Cc2cccc(C#N)c2Cl)CC1 ZINC001206311142 813284749 /nfs/dbraw/zinc/28/47/49/813284749.db2.gz JWLMXPWIDXSIMK-INIZCTEOSA-N 1 3 291.826 3.163 20 30 CGEDHO C=C1CC[NH2+]C[C@H]1Oc1ccc2ccccc2c1CN(C)C ZINC001218208164 816128335 /nfs/dbraw/zinc/12/83/35/816128335.db2.gz XUKGOCOXWSCOOM-LJQANCHMSA-N 1 3 296.414 3.198 20 30 CGEDHO C#Cc1cccc(C[N@@H+](C)C2CCN(CCCC)CC2)c1 ZINC001231664571 818154185 /nfs/dbraw/zinc/15/41/85/818154185.db2.gz SKNZFXJQXOXRPJ-UHFFFAOYSA-N 1 3 284.447 3.364 20 30 CGEDHO C#Cc1cccc(C[N@H+](C)C2CCN(CCCC)CC2)c1 ZINC001231664571 818154189 /nfs/dbraw/zinc/15/41/89/818154189.db2.gz SKNZFXJQXOXRPJ-UHFFFAOYSA-N 1 3 284.447 3.364 20 30 CGEDHO C=CCCCCCCC[N@@H+]1CCC12CCNCC2 ZINC001235103584 819002276 /nfs/dbraw/zinc/00/22/76/819002276.db2.gz VDJAVLYSULVBOZ-UHFFFAOYSA-N 1 3 250.430 3.341 20 30 CGEDHO C=CCCCCCCC[N@H+]1CCC12CCNCC2 ZINC001235103584 819002283 /nfs/dbraw/zinc/00/22/83/819002283.db2.gz VDJAVLYSULVBOZ-UHFFFAOYSA-N 1 3 250.430 3.341 20 30 CGEDHO C=CCCCCCCCN1CCC12CC[NH2+]CC2 ZINC001235103584 819002288 /nfs/dbraw/zinc/00/22/88/819002288.db2.gz VDJAVLYSULVBOZ-UHFFFAOYSA-N 1 3 250.430 3.341 20 30 CGEDHO C=CCOc1ccc(CN(CCC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001236836200 819614803 /nfs/dbraw/zinc/61/48/03/819614803.db2.gz SUXDUVBNJPAIDS-QGZVFWFLSA-N 1 3 288.435 3.073 20 30 CGEDHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096293 933999144 /nfs/dbraw/zinc/99/91/44/933999144.db2.gz RHQNUFMYVVZKSB-KBPBESRZSA-N 1 3 289.398 3.080 20 30 CGEDHO C#CCC[N@@H+](CCCC)C1CC(C)(C)NC(C)(C)C1 ZINC001560035707 938242147 /nfs/dbraw/zinc/24/21/47/938242147.db2.gz DDBPBWNRPNEPOX-UHFFFAOYSA-N 1 3 264.457 3.421 20 30 CGEDHO C#CCC[N@H+](CCCC)C1CC(C)(C)NC(C)(C)C1 ZINC001560035707 938242148 /nfs/dbraw/zinc/24/21/48/938242148.db2.gz DDBPBWNRPNEPOX-UHFFFAOYSA-N 1 3 264.457 3.421 20 30 CGEDHO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459734671 346624851 /nfs/dbraw/zinc/62/48/51/346624851.db2.gz SLTGRGKIYQQQHC-SJLPKXTDSA-N 1 3 299.462 3.426 20 30 CGEDHO C[C@@H](NCC(C)(C)CC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459734671 346624856 /nfs/dbraw/zinc/62/48/56/346624856.db2.gz SLTGRGKIYQQQHC-SJLPKXTDSA-N 1 3 299.462 3.426 20 30 CGEDHO C[C@@H](NCC(C)(C)CC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459734671 346624859 /nfs/dbraw/zinc/62/48/59/346624859.db2.gz SLTGRGKIYQQQHC-SJLPKXTDSA-N 1 3 299.462 3.426 20 30 CGEDHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(C#N)cc1 ZINC000599071996 347714474 /nfs/dbraw/zinc/71/44/74/347714474.db2.gz WBBZOIPBZCJGNO-SJLPKXTDSA-N 1 3 285.435 3.331 20 30 CGEDHO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000618806691 349156869 /nfs/dbraw/zinc/15/68/69/349156869.db2.gz RPDGAQWBTKIRKL-IBGZPJMESA-N 1 3 295.430 3.010 20 30 CGEDHO C=C(C)C[NH+]1CCC(N[C@@H]2CCCc3ncccc32)CC1 ZINC000631582688 351076772 /nfs/dbraw/zinc/07/67/72/351076772.db2.gz UDMHVWINUQVMFH-GOSISDBHSA-N 1 3 285.435 3.089 20 30 CGEDHO C=CCC[C@@H]([NH2+][C@H]1CCNCC(C)(C)C1)C1CC1 ZINC000635012903 351630438 /nfs/dbraw/zinc/63/04/38/351630438.db2.gz WQTXZAQJZQNKAL-LSDHHAIUSA-N 1 3 250.430 3.099 20 30 CGEDHO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000423016335 371916858 /nfs/dbraw/zinc/91/68/58/371916858.db2.gz MGAMSFZVWDSAKL-RTBURBONSA-N 1 3 291.398 3.195 20 30 CGEDHO CC(C)N1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449131834 373664232 /nfs/dbraw/zinc/66/42/32/373664232.db2.gz PXWLKCYEZLPVHR-GTPINHCMSA-N 1 3 277.456 3.169 20 30 CGEDHO C=CCC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000178684411 373803867 /nfs/dbraw/zinc/80/38/67/373803867.db2.gz HFXVNLBBQGGUAF-BQFCYCMXSA-N 1 3 294.483 3.210 20 30 CGEDHO C=CCOc1ccccc1CN1CCC(CC[NH2+]C)CC1 ZINC000346691080 378676677 /nfs/dbraw/zinc/67/66/77/378676677.db2.gz VAJZIVWCMKAOBN-UHFFFAOYSA-N 1 3 288.435 3.073 20 30 CGEDHO C=CCN(CC[C@@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000420298283 380845948 /nfs/dbraw/zinc/84/59/48/380845948.db2.gz DWBMXWOLUUJFPN-AWEZNQCLSA-N 1 3 264.438 3.126 20 30 CGEDHO C[C@@H]1C[C@H](NCC2(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361431162 381743063 /nfs/dbraw/zinc/74/30/63/381743063.db2.gz CJZGXRLCJOHMMM-SJLPKXTDSA-N 1 3 297.446 3.323 20 30 CGEDHO C[C@@H]1C[C@H](NCC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361431162 381743066 /nfs/dbraw/zinc/74/30/66/381743066.db2.gz CJZGXRLCJOHMMM-SJLPKXTDSA-N 1 3 297.446 3.323 20 30 CGEDHO C=CCOc1cccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000122760637 392423446 /nfs/dbraw/zinc/42/34/46/392423446.db2.gz CQHLYUBQBPDUMW-KRWDZBQOSA-N 1 3 288.435 3.025 20 30 CGEDHO C=CCOc1cccc(C[N@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000122760637 392423453 /nfs/dbraw/zinc/42/34/53/392423453.db2.gz CQHLYUBQBPDUMW-KRWDZBQOSA-N 1 3 288.435 3.025 20 30 CGEDHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000360948992 393621561 /nfs/dbraw/zinc/62/15/61/393621561.db2.gz YAMNXHGVSCLOME-HOTGVXAUSA-N 1 3 265.445 3.170 20 30 CGEDHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000360948993 393621849 /nfs/dbraw/zinc/62/18/49/393621849.db2.gz YAMNXHGVSCLOME-HZPDHXFCSA-N 1 3 265.445 3.170 20 30 CGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000658239467 419696462 /nfs/dbraw/zinc/69/64/62/419696462.db2.gz VDJHBLTXAHLIBY-PMPSAXMXSA-N 1 3 250.430 3.195 20 30 CGEDHO N#C[C@@H]1CCC[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000192619697 262206476 /nfs/dbraw/zinc/20/64/76/262206476.db2.gz TYFONKASVWXWKK-RTBURBONSA-N 1 3 297.446 3.454 20 30 CGEDHO C[C@H](CC[NH+](C)C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360837730 267150280 /nfs/dbraw/zinc/15/02/80/267150280.db2.gz RBDRICJRCOOSEW-RDTXWAMCSA-N 1 3 285.435 3.256 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000368564893 267186259 /nfs/dbraw/zinc/18/62/59/267186259.db2.gz XGUSFFSTHXGMKV-HRCADAONSA-N 1 3 250.430 3.338 20 30 CGEDHO N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000423095728 330169723 /nfs/dbraw/zinc/16/97/23/330169723.db2.gz FUOSVMXTQIWWOG-YXYCDRMUSA-N 1 3 289.467 3.217 20 30 CGEDHO N#CCCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453195077 331099995 /nfs/dbraw/zinc/09/99/95/331099995.db2.gz OPNYCYJMMJKBHY-OTWHNJEPSA-N 1 3 297.446 3.323 20 30 CGEDHO N#CCCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453195077 331099996 /nfs/dbraw/zinc/09/99/96/331099996.db2.gz OPNYCYJMMJKBHY-OTWHNJEPSA-N 1 3 297.446 3.323 20 30 CGEDHO C=CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477917439 331693868 /nfs/dbraw/zinc/69/38/68/331693868.db2.gz OEPQXWBREMPMET-CABCVRRESA-N 1 3 252.446 3.299 20 30 CGEDHO C=CCOc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1Cl ZINC000581070941 336003779 /nfs/dbraw/zinc/00/37/79/336003779.db2.gz BNVIAZKPNZHXPA-RYUDHWBXSA-N 1 3 282.815 3.120 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000425530427 534079347 /nfs/dbraw/zinc/07/93/47/534079347.db2.gz FLZDGMBQFDGRSW-YOEHRIQHSA-N 1 3 271.408 3.035 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000425530427 534079354 /nfs/dbraw/zinc/07/93/54/534079354.db2.gz FLZDGMBQFDGRSW-YOEHRIQHSA-N 1 3 271.408 3.035 20 30 CGEDHO C[NH+]1C[C@]2(C)CN(CCCCC3(C#N)CCC3)C[C@@]2(C)C1 ZINC000931316941 619143260 /nfs/dbraw/zinc/14/32/60/619143260.db2.gz LPQRSXREQKXEEY-IAGOWNOFSA-N 1 3 289.467 3.124 20 30 CGEDHO C=CCCCCC[C@H](C)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790956 619249713 /nfs/dbraw/zinc/24/97/13/619249713.db2.gz JVEWJJLTXHVKSB-DLBZAZTESA-N 1 3 294.483 3.260 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@H]1CCN(CC)C1)[C@@]1(C)CCCCO1 ZINC000902753656 621425420 /nfs/dbraw/zinc/42/54/20/621425420.db2.gz RPNUASOPEHLLLV-FGTMMUONSA-N 1 3 294.483 3.212 20 30 CGEDHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000902818728 621453957 /nfs/dbraw/zinc/45/39/57/621453957.db2.gz POFNPEJVXFZXSA-COXVUDFISA-N 1 3 271.408 3.082 20 30 CGEDHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000902818728 621453968 /nfs/dbraw/zinc/45/39/68/621453968.db2.gz POFNPEJVXFZXSA-COXVUDFISA-N 1 3 271.408 3.082 20 30 CGEDHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(C#N)c1 ZINC000902832008 621466638 /nfs/dbraw/zinc/46/66/38/621466638.db2.gz HXHOMAZBBYGVDR-SQNIBIBYSA-N 1 3 285.435 3.472 20 30 CGEDHO C=CCC[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000903378882 621721166 /nfs/dbraw/zinc/72/11/66/621721166.db2.gz FCBIQYNVMGBHQF-ROUUACIJSA-N 1 3 287.451 3.409 20 30 CGEDHO C#CCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183146791 625050752 /nfs/dbraw/zinc/05/07/52/625050752.db2.gz OIRASKUVTRMHJL-HSALFYBXSA-N 1 3 296.458 3.290 20 30 CGEDHO C#CCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183146756 625051430 /nfs/dbraw/zinc/05/14/30/625051430.db2.gz OIRASKUVTRMHJL-SLFFLAALSA-N 1 3 296.458 3.290 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000921818565 625888833 /nfs/dbraw/zinc/88/88/33/625888833.db2.gz QCUOCPVLMSJKMB-DLBZAZTESA-N 1 3 285.435 3.138 20 30 CGEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000817977668 632269056 /nfs/dbraw/zinc/26/90/56/632269056.db2.gz NPXQAKQFROLCHU-UPJWGTAASA-N 1 3 282.815 3.204 20 30 CGEDHO C=CC[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccncc1 ZINC000925499130 638256008 /nfs/dbraw/zinc/25/60/08/638256008.db2.gz VWWKLPMAMLXPSK-XHSDSOJGSA-N 1 3 273.424 3.194 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924750992 638400183 /nfs/dbraw/zinc/40/01/83/638400183.db2.gz HZIGGZHSWDAXIK-HUUCEWRRSA-N 1 3 279.472 3.415 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000924750992 638400186 /nfs/dbraw/zinc/40/01/86/638400186.db2.gz HZIGGZHSWDAXIK-HUUCEWRRSA-N 1 3 279.472 3.415 20 30 CGEDHO C=CC(C)(C)C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926521107 638781048 /nfs/dbraw/zinc/78/10/48/638781048.db2.gz LODDCFRESQBVTF-UHFFFAOYSA-N 1 3 252.446 3.299 20 30 CGEDHO CCCCCCCC[C@@H](O)CNCCC[NH+](CC)CC ZINC001252120127 806006357 /nfs/dbraw/zinc/00/63/57/806006357.db2.gz NVAHKAAHSFAPAV-QGZVFWFLSA-N 1 3 286.504 3.419 20 30 CGEDHO C=CCCCCCC[C@H](O)CNCCC[NH+](CC)CC ZINC001253228419 806184579 /nfs/dbraw/zinc/18/45/79/806184579.db2.gz UBMRSZYVIIBCRU-KRWDZBQOSA-N 1 3 284.488 3.195 20 30 CGEDHO CCC(CC)N1CCC([NH2+][C@H](C)CCCC#N)CC1 ZINC001172489468 808351072 /nfs/dbraw/zinc/35/10/72/808351072.db2.gz SOXLWYADAWBBIK-CQSZACIVSA-N 1 3 265.445 3.311 20 30 CGEDHO C=CCCCCCC[C@@H](O)C[NH2+]CC1(N)CCCCC1 ZINC001245997137 804095117 /nfs/dbraw/zinc/09/51/17/804095117.db2.gz XABCBINRFKCQAL-MRXNPFEDSA-N 1 3 282.472 3.125 20 30 CGEDHO C=CCCCCCC[C@@H](O)CNCC1([NH3+])CCCCC1 ZINC001245997137 804095132 /nfs/dbraw/zinc/09/51/32/804095132.db2.gz XABCBINRFKCQAL-MRXNPFEDSA-N 1 3 282.472 3.125 20 30 CGEDHO CCCCCCCCC[C@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246145788 804166631 /nfs/dbraw/zinc/16/66/31/804166631.db2.gz DXCBISRQTBPHNZ-CAOSSQGBSA-N 1 3 252.446 3.323 20 30 CGEDHO C=CCC[C@@H](C)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246380549 804313710 /nfs/dbraw/zinc/31/37/10/804313710.db2.gz IEEZSFVGLCZVAO-OAHLLOKOSA-N 1 3 290.426 3.435 20 30 CGEDHO CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CC12CNC2 ZINC001246444318 804333813 /nfs/dbraw/zinc/33/38/13/804333813.db2.gz KFCHLNOTHVEKCI-HUUCEWRRSA-N 1 3 252.446 3.467 20 30 CGEDHO C[C@]1(CNC2CCC(c3ccc(C#N)cc3)CC2)CCC[NH2+]1 ZINC001246454605 804335511 /nfs/dbraw/zinc/33/55/11/804335511.db2.gz DBHINUKXYILGBG-CTWPCTMYSA-N 1 3 297.446 3.316 20 30 CGEDHO C=C1C[C@@H]2CC(NC[C@]3(CC)CCC[NH2+]3)C[C@H](C1)C2 ZINC001246457311 804338135 /nfs/dbraw/zinc/33/81/35/804338135.db2.gz SABYIVAKAHQZMI-WFVVYAPDSA-N 1 3 262.441 3.243 20 30 CGEDHO C[C@@H](CN)C[N@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013149 807028395 /nfs/dbraw/zinc/02/83/95/807028395.db2.gz BCAINEOFEKCUKN-NNGSBXSVSA-N 1 3 285.435 3.111 20 30 CGEDHO C[C@@H](CN)C[N@@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013149 807028401 /nfs/dbraw/zinc/02/84/01/807028401.db2.gz BCAINEOFEKCUKN-NNGSBXSVSA-N 1 3 285.435 3.111 20 30 CGEDHO C[C@H](CCCC#N)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001172486734 808348047 /nfs/dbraw/zinc/34/80/47/808348047.db2.gz CRYLFUWXFPJBAP-OAHLLOKOSA-N 1 3 277.456 3.313 20 30 CGEDHO CCC(CC)N1CCC([NH2+][C@@H](C)CCCC#N)CC1 ZINC001172489467 808349208 /nfs/dbraw/zinc/34/92/08/808349208.db2.gz SOXLWYADAWBBIK-AWEZNQCLSA-N 1 3 265.445 3.311 20 30 CGEDHO C=CCOC1CCC([NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC001173312725 808606672 /nfs/dbraw/zinc/60/66/72/808606672.db2.gz KXMZXSIGJMERSD-WWDZGPRUSA-N 1 3 294.483 3.354 20 30 CGEDHO C=CCCCCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033227 818985126 /nfs/dbraw/zinc/98/51/26/818985126.db2.gz VSUQRYPJRSYFHS-MRXNPFEDSA-N 1 3 250.430 3.198 20 30 CGEDHO C=CCCCCCCCCC[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235210970 819037027 /nfs/dbraw/zinc/03/70/27/819037027.db2.gz SGKBFJIJRMITCE-ZSHCYNCHSA-N 1 3 250.430 3.182 20 30 CGEDHO C=CCCCCCCCCC[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235210970 819037034 /nfs/dbraw/zinc/03/70/34/819037034.db2.gz SGKBFJIJRMITCE-ZSHCYNCHSA-N 1 3 250.430 3.182 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@]3(C2)CNCC[C@@H]3F)CC1 ZINC001235411008 819089491 /nfs/dbraw/zinc/08/94/91/819089491.db2.gz ZSFUCMXGXZDUCW-FGTMMUONSA-N 1 3 292.442 3.313 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(C2)CNCC[C@@H]3F)CC1 ZINC001235411008 819089498 /nfs/dbraw/zinc/08/94/98/819089498.db2.gz ZSFUCMXGXZDUCW-FGTMMUONSA-N 1 3 292.442 3.313 20 30 CGEDHO C=CCCN(Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC001235703027 819147299 /nfs/dbraw/zinc/14/72/99/819147299.db2.gz ORKRDSJQPQXMQD-QGZVFWFLSA-N 1 3 258.409 3.064 20 30 CGEDHO C=CCN(Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235961522 819248952 /nfs/dbraw/zinc/24/89/52/819248952.db2.gz DUOZZKIWONHJEU-UHFFFAOYSA-N 1 3 278.399 3.478 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1 ZINC000651706048 398271704 /nfs/dbraw/zinc/27/17/04/398271704.db2.gz QGWFMFPCKFONEL-IKGGRYGDSA-N 1 3 264.457 3.441 20 30 CGEDHO C=CCCCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000118001475 345986849 /nfs/dbraw/zinc/98/68/49/345986849.db2.gz DAWIAGVUVZQCDK-QGZVFWFLSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCC[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000118001475 345986851 /nfs/dbraw/zinc/98/68/51/345986851.db2.gz DAWIAGVUVZQCDK-QGZVFWFLSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCC[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000118001475 345986853 /nfs/dbraw/zinc/98/68/53/345986853.db2.gz DAWIAGVUVZQCDK-QGZVFWFLSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000157169587 346160817 /nfs/dbraw/zinc/16/08/17/346160817.db2.gz ZQSMQZPEMABIJN-INIZCTEOSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCC[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000157169587 346160818 /nfs/dbraw/zinc/16/08/18/346160818.db2.gz ZQSMQZPEMABIJN-INIZCTEOSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCC[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000157169587 346160819 /nfs/dbraw/zinc/16/08/19/346160819.db2.gz ZQSMQZPEMABIJN-INIZCTEOSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCCSCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000596650170 347498268 /nfs/dbraw/zinc/49/82/68/347498268.db2.gz INMLMRDHRWBUTF-HRCADAONSA-N 1 3 282.497 3.196 20 30 CGEDHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132029 347538029 /nfs/dbraw/zinc/53/80/29/347538029.db2.gz FYRCWOQURBBEHP-MAUKXSAKSA-N 1 3 297.446 3.014 20 30 CGEDHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132029 347538031 /nfs/dbraw/zinc/53/80/31/347538031.db2.gz FYRCWOQURBBEHP-MAUKXSAKSA-N 1 3 297.446 3.014 20 30 CGEDHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132031 347538401 /nfs/dbraw/zinc/53/84/01/347538401.db2.gz FYRCWOQURBBEHP-YJBOKZPZSA-N 1 3 297.446 3.014 20 30 CGEDHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132031 347538403 /nfs/dbraw/zinc/53/84/03/347538403.db2.gz FYRCWOQURBBEHP-YJBOKZPZSA-N 1 3 297.446 3.014 20 30 CGEDHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(C#N)cc1 ZINC000599071994 347714310 /nfs/dbraw/zinc/71/43/10/347714310.db2.gz WBBZOIPBZCJGNO-AEFFLSMTSA-N 1 3 285.435 3.331 20 30 CGEDHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(C#N)cc1 ZINC000599071997 347714622 /nfs/dbraw/zinc/71/46/22/347714622.db2.gz WBBZOIPBZCJGNO-WMZOPIPTSA-N 1 3 285.435 3.331 20 30 CGEDHO CC[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000602019679 347933814 /nfs/dbraw/zinc/93/38/14/347933814.db2.gz FEVWKYNBRDSLKR-SJORKVTESA-N 1 3 285.435 3.377 20 30 CGEDHO C=CCCC(C)(C)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000631216787 350993437 /nfs/dbraw/zinc/99/34/37/350993437.db2.gz APIRKEHYGCKPCT-LSDHHAIUSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCCC(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631216787 350993439 /nfs/dbraw/zinc/99/34/39/350993439.db2.gz APIRKEHYGCKPCT-LSDHHAIUSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCCC(C)(C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631216787 350993443 /nfs/dbraw/zinc/99/34/43/350993443.db2.gz APIRKEHYGCKPCT-LSDHHAIUSA-N 1 3 250.430 3.195 20 30 CGEDHO N#Cc1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423097124 371960759 /nfs/dbraw/zinc/96/07/59/371960759.db2.gz ISAOYCHZLKONFF-GUDVDZBRSA-N 1 3 297.446 3.001 20 30 CGEDHO C=CCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159032960 372101275 /nfs/dbraw/zinc/10/12/75/372101275.db2.gz AAFIGHYOYUUSKK-OAHLLOKOSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159032960 372101280 /nfs/dbraw/zinc/10/12/80/372101280.db2.gz AAFIGHYOYUUSKK-OAHLLOKOSA-N 1 3 250.430 3.149 20 30 CGEDHO CC(C)CN1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449215445 373673288 /nfs/dbraw/zinc/67/32/88/373673288.db2.gz YFEZYOHQCUFXRZ-WWDZGPRUSA-N 1 3 291.483 3.416 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC[C@@H]1CCCCN1C ZINC000187700915 375076573 /nfs/dbraw/zinc/07/65/73/375076573.db2.gz NTXRIONJEIZIGP-QAPCUYQASA-N 1 3 285.435 3.425 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000187700915 375076579 /nfs/dbraw/zinc/07/65/79/375076579.db2.gz NTXRIONJEIZIGP-QAPCUYQASA-N 1 3 285.435 3.425 20 30 CGEDHO C=C(CC)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539106041 376294952 /nfs/dbraw/zinc/29/49/52/376294952.db2.gz XGHUGXLOJBSJJE-CALCHBBNSA-N 1 3 294.483 3.164 20 30 CGEDHO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000261631149 377828739 /nfs/dbraw/zinc/82/87/39/377828739.db2.gz VXJLUFWXXQMXDC-OWCLPIDISA-N 1 3 264.457 3.489 20 30 CGEDHO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546384 380358984 /nfs/dbraw/zinc/35/89/84/380358984.db2.gz NWOFFAKNZIBYPZ-HUUCEWRRSA-N 1 3 250.430 3.386 20 30 CGEDHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(C#N)c1 ZINC000423375805 533449538 /nfs/dbraw/zinc/44/95/38/533449538.db2.gz IWPDSIPEANTEGG-CYBMUJFWSA-N 1 3 277.371 3.012 20 30 CGEDHO CCCCCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374418937 392677744 /nfs/dbraw/zinc/67/77/44/392677744.db2.gz FUHIYJNCYBDKSF-GVDBMIGSSA-N 1 3 282.472 3.140 20 30 CGEDHO CCC[N@H+](CC[C@H]1CCCN1C)Cc1ccc(C#N)cc1 ZINC000089425268 165204926 /nfs/dbraw/zinc/20/49/26/165204926.db2.gz KHMRGWXHIFQNAE-GOSISDBHSA-N 1 3 285.435 3.255 20 30 CGEDHO CCC[N@@H+](CC[C@H]1CCCN1C)Cc1ccc(C#N)cc1 ZINC000089425268 165204927 /nfs/dbraw/zinc/20/49/27/165204927.db2.gz KHMRGWXHIFQNAE-GOSISDBHSA-N 1 3 285.435 3.255 20 30 CGEDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(C#N)cc1 ZINC000181859894 278272188 /nfs/dbraw/zinc/27/21/88/278272188.db2.gz CCDWPUCWVOBBSS-XKQJLSEDSA-N 1 3 271.408 3.082 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@H]1CCN(CCC)C1)C1CC1 ZINC000120434852 330387932 /nfs/dbraw/zinc/38/79/32/330387932.db2.gz BZHIUFZFDYGUPX-ZBFHGGJFSA-N 1 3 250.430 3.053 20 30 CGEDHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442637384 330777937 /nfs/dbraw/zinc/77/79/37/330777937.db2.gz OUUPDSSCAKGABH-QAPCUYQASA-N 1 3 285.435 3.310 20 30 CGEDHO N#Cc1csc(CNCCCCC[NH+]2CCCCC2)c1 ZINC000177699961 335379763 /nfs/dbraw/zinc/37/97/63/335379763.db2.gz HNUNVYYVEHCALS-UHFFFAOYSA-N 1 3 291.464 3.366 20 30 CGEDHO C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000347931395 527235936 /nfs/dbraw/zinc/23/59/36/527235936.db2.gz LSVPNURILPFCEE-HUUCEWRRSA-N 1 3 250.430 3.195 20 30 CGEDHO CCc1ccc(NC(=[NH2+])NCCN(C(C)C)C(C)C)cc1 ZINC000303693119 620193450 /nfs/dbraw/zinc/19/34/50/620193450.db2.gz BUISYRUCXSVSLH-UHFFFAOYSA-N 1 3 290.455 3.094 20 30 CGEDHO CCCCCCCC[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897970551 620450968 /nfs/dbraw/zinc/45/09/68/620450968.db2.gz SNDSLGMRCSDMSY-KURKYZTESA-N 1 3 296.499 3.314 20 30 CGEDHO CCCCCCCC[C@H](CO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897970551 620450970 /nfs/dbraw/zinc/45/09/70/620450970.db2.gz SNDSLGMRCSDMSY-KURKYZTESA-N 1 3 296.499 3.314 20 30 CGEDHO N#CC1CCC(C[N@H+](CCCN)CC2CCCC2)CC1 ZINC000903452029 621761588 /nfs/dbraw/zinc/76/15/88/621761588.db2.gz GNGCLZHBFGTUJE-UHFFFAOYSA-N 1 3 277.456 3.157 20 30 CGEDHO N#CC1CCC(C[N@@H+](CCCN)CC2CCCC2)CC1 ZINC000903452029 621761593 /nfs/dbraw/zinc/76/15/93/621761593.db2.gz GNGCLZHBFGTUJE-UHFFFAOYSA-N 1 3 277.456 3.157 20 30 CGEDHO CN(CCCCC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903740335 621801116 /nfs/dbraw/zinc/80/11/16/621801116.db2.gz GRLVCVHYSPQKDT-XYPWUTKMSA-N 1 3 275.440 3.065 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000921818566 625889020 /nfs/dbraw/zinc/88/90/20/625889020.db2.gz QCUOCPVLMSJKMB-IAGOWNOFSA-N 1 3 285.435 3.138 20 30 CGEDHO C#CC[C@H]([NH2+]CCCN1CCCCC1)c1ccccc1 ZINC000781902292 628604212 /nfs/dbraw/zinc/60/42/12/628604212.db2.gz AHZDAVFLYUHALK-SFHVURJKSA-N 1 3 270.420 3.217 20 30 CGEDHO C#C[C@H](N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000809684416 630779335 /nfs/dbraw/zinc/77/93/35/630779335.db2.gz BEYMDRCHAPJCQL-NEWSRXKRSA-N 1 3 284.447 3.144 20 30 CGEDHO C#C[C@H](N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000809684416 630779336 /nfs/dbraw/zinc/77/93/36/630779336.db2.gz BEYMDRCHAPJCQL-NEWSRXKRSA-N 1 3 284.447 3.144 20 30 CGEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000848541308 636597528 /nfs/dbraw/zinc/59/75/28/636597528.db2.gz WMMQABXARYTXOR-ZWKOTPCHSA-N 1 3 299.462 3.450 20 30 CGEDHO C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccc(C#N)c1 ZINC000925622453 638547706 /nfs/dbraw/zinc/54/77/06/638547706.db2.gz LFRWMRSNDIIVIU-VBNZEHGJSA-N 1 3 271.408 3.115 20 30 CGEDHO C=C(CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925636211 638551445 /nfs/dbraw/zinc/55/14/45/638551445.db2.gz RVBHGPASFCHTSU-HOTGVXAUSA-N 1 3 258.409 3.195 20 30 CGEDHO CCCCCCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288810 639130896 /nfs/dbraw/zinc/13/08/96/639130896.db2.gz UMYNTPUPKVMYAZ-UHFFFAOYSA-N 1 3 282.472 3.144 20 30 CGEDHO CCCCCCCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288810 639130899 /nfs/dbraw/zinc/13/08/99/639130899.db2.gz UMYNTPUPKVMYAZ-UHFFFAOYSA-N 1 3 282.472 3.144 20 30 CGEDHO CC1([NH+]2CCCC2)CCN(CC2CCC(C#N)CC2)CC1 ZINC000931464633 639156028 /nfs/dbraw/zinc/15/60/28/639156028.db2.gz LKYOCUHECSCDNE-UHFFFAOYSA-N 1 3 289.467 3.267 20 30 CGEDHO CCCCCCCC[C@H](O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001252130698 806017625 /nfs/dbraw/zinc/01/76/25/806017625.db2.gz WTCBMKHFLLWUSF-ZWKOTPCHSA-N 1 3 296.499 3.126 20 30 CGEDHO CCCCCCCC[C@H](O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001252130698 806017631 /nfs/dbraw/zinc/01/76/31/806017631.db2.gz WTCBMKHFLLWUSF-ZWKOTPCHSA-N 1 3 296.499 3.126 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000695837314 799835707 /nfs/dbraw/zinc/83/57/07/799835707.db2.gz QPKWLIVVJGUAKM-CABCVRRESA-N 1 3 265.445 3.169 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCCC[N@H+]1CCCC[C@@H]1C ZINC000695837314 799835714 /nfs/dbraw/zinc/83/57/14/799835714.db2.gz QPKWLIVVJGUAKM-CABCVRRESA-N 1 3 265.445 3.169 20 30 CGEDHO C=CCCCCCC[C@H](O)CNC[C@@H]([NH3+])c1ccccc1 ZINC001245994792 804095176 /nfs/dbraw/zinc/09/51/76/804095176.db2.gz PRLOKHUGBBSSSW-ZWKOTPCHSA-N 1 3 290.451 3.164 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@H](C)C1C[NH2+]C1 ZINC001245998306 804096384 /nfs/dbraw/zinc/09/63/84/804096384.db2.gz GAWUGHWWKLINCF-WBVHZDCISA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCC[C@@H](O)CN(CC)C[C@@H]1CC[NH2+]C1 ZINC001246062582 804104210 /nfs/dbraw/zinc/10/42/10/804104210.db2.gz MNWMUXMMEHETFX-IAGOWNOFSA-N 1 3 284.488 3.029 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246153243 804170810 /nfs/dbraw/zinc/17/08/10/804170810.db2.gz RJDKJPUZNOSGFS-KSZLIROESA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCCC[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001263105767 807934360 /nfs/dbraw/zinc/93/43/60/807934360.db2.gz XSRSUUYNLIGMSO-INIZCTEOSA-N 1 3 291.439 3.162 20 30 CGEDHO C[C@@H](CCCC#N)[NH+]1CCC(N2CCCCC2)CC1 ZINC001172491394 808352141 /nfs/dbraw/zinc/35/21/41/808352141.db2.gz NRQWZGISIADUKF-HNNXBMFYSA-N 1 3 263.429 3.019 20 30 CGEDHO CCCCN(C)CCC[NH2+]C1CCC(CC#N)CC1 ZINC001173326396 808613013 /nfs/dbraw/zinc/61/30/13/808613013.db2.gz YNKHCTAHNMTERB-UHFFFAOYSA-N 1 3 265.445 3.170 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CN2CCCCC2)C1 ZINC001199583282 811580785 /nfs/dbraw/zinc/58/07/85/811580785.db2.gz WNRWXOPCGLLLEB-GVDBMIGSSA-N 1 3 264.457 3.443 20 30 CGEDHO C=CCOc1cccc(C[NH2+]C[C@H]2CCCN(CC)C2)c1 ZINC001199844165 811602453 /nfs/dbraw/zinc/60/24/53/811602453.db2.gz WKXRMLJHTAUIGQ-QGZVFWFLSA-N 1 3 288.435 3.073 20 30 CGEDHO CCc1cc(C#N)ccc1CN1CCCC[C@](C)(C[NH3+])C1 ZINC001206579999 813361361 /nfs/dbraw/zinc/36/13/61/813361361.db2.gz BREOUPCUXSWNDJ-GOSISDBHSA-N 1 3 285.435 3.072 20 30 CGEDHO CCCCCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234990026 818970291 /nfs/dbraw/zinc/97/02/91/818970291.db2.gz BUNYEOGSJZUNRA-INIZCTEOSA-N 1 3 252.446 3.422 20 30 CGEDHO C=CCCCCN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235378796 819081634 /nfs/dbraw/zinc/08/16/34/819081634.db2.gz KRFIBDYPTIBQJA-MOPGFXCFSA-N 1 3 284.447 3.422 20 30 CGEDHO CCCN(Cc1ccc(C#N)c(CC)c1)C1CC[NH2+]CC1 ZINC001236185044 819360416 /nfs/dbraw/zinc/36/04/16/819360416.db2.gz UGYWBQXGILBNPH-UHFFFAOYSA-N 1 3 285.435 3.085 20 30 CGEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCN(CC)CC ZINC001307923775 933020572 /nfs/dbraw/zinc/02/05/72/933020572.db2.gz JOKMTWHMVKLBSJ-HZPDHXFCSA-N 1 3 252.446 3.443 20 30 CGEDHO [NH3+]CCC[C@H](NCC#Cc1ccccc1)c1ccccc1 ZINC001580289905 962704722 /nfs/dbraw/zinc/70/47/22/962704722.db2.gz WMTWVKWLYQPBCG-IBGZPJMESA-N 1 3 278.399 3.108 20 30 CGEDHO N#C[C@H]1CC[C@H](N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000590153399 346832841 /nfs/dbraw/zinc/83/28/41/346832841.db2.gz GJCPHSQPDOBZDA-ROUUACIJSA-N 1 3 289.467 3.267 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000651721072 398275662 /nfs/dbraw/zinc/27/56/62/398275662.db2.gz RUKNOBUJMFSVGI-XDNAFOTISA-N 1 3 294.483 3.210 20 30 CGEDHO Cc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1C#N ZINC000599283991 347732034 /nfs/dbraw/zinc/73/20/34/347732034.db2.gz JVMHSAFSNDRANE-UHFFFAOYSA-N 1 3 299.462 3.419 20 30 CGEDHO Cc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1C#N ZINC000599283991 347732035 /nfs/dbraw/zinc/73/20/35/347732035.db2.gz JVMHSAFSNDRANE-UHFFFAOYSA-N 1 3 299.462 3.419 20 30 CGEDHO CCCN(CCC)CCC[NH2+]C1CCC(C#N)CC1 ZINC000602505805 347972012 /nfs/dbraw/zinc/97/20/12/347972012.db2.gz ARRMWDRBDKEERR-UHFFFAOYSA-N 1 3 265.445 3.170 20 30 CGEDHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602514109 347973639 /nfs/dbraw/zinc/97/36/39/347973639.db2.gz MAGXOXGOMBAORW-JUVOFCAFSA-N 1 3 277.456 3.026 20 30 CGEDHO C=CCC[C@H](CC)[NH2+]Cc1cccc2c1CCNC2 ZINC000635010446 351628062 /nfs/dbraw/zinc/62/80/62/351628062.db2.gz LGTIEZRQZZPNHM-INIZCTEOSA-N 1 3 258.409 3.167 20 30 CGEDHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000414188603 235359255 /nfs/dbraw/zinc/35/92/55/235359255.db2.gz QMGOQRPCEUFHNG-KBPBESRZSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000414188603 235359257 /nfs/dbraw/zinc/35/92/57/235359257.db2.gz QMGOQRPCEUFHNG-KBPBESRZSA-N 1 3 289.398 3.080 20 30 CGEDHO CC(C)CN1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000178175974 189095620 /nfs/dbraw/zinc/09/56/20/189095620.db2.gz FQBFOWCGJNCJST-HNNXBMFYSA-N 1 3 285.435 3.329 20 30 CGEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159607527 372160560 /nfs/dbraw/zinc/16/05/60/372160560.db2.gz ONTVUNCWAZNEJS-CHWSQXEVSA-N 1 3 252.446 3.486 20 30 CGEDHO C[N@@H+]1CCC[C@H]1CCN[C@@H](CCCC#N)c1ccccc1 ZINC000433023411 372577765 /nfs/dbraw/zinc/57/77/65/372577765.db2.gz PRNXVXSLVZXYQU-ROUUACIJSA-N 1 3 285.435 3.495 20 30 CGEDHO C[N@H+]1CCC[C@H]1CCN[C@@H](CCCC#N)c1ccccc1 ZINC000433023411 372577772 /nfs/dbraw/zinc/57/77/72/372577772.db2.gz PRNXVXSLVZXYQU-ROUUACIJSA-N 1 3 285.435 3.495 20 30 CGEDHO CN1CCC[C@H]1CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433023411 372577781 /nfs/dbraw/zinc/57/77/81/372577781.db2.gz PRNXVXSLVZXYQU-ROUUACIJSA-N 1 3 285.435 3.495 20 30 CGEDHO C[N@@H+]1CCC[C@@H]1CCN[C@H](CCCC#N)c1ccccc1 ZINC000433023410 372578931 /nfs/dbraw/zinc/57/89/31/372578931.db2.gz PRNXVXSLVZXYQU-QZTJIDSGSA-N 1 3 285.435 3.495 20 30 CGEDHO C[N@H+]1CCC[C@@H]1CCN[C@H](CCCC#N)c1ccccc1 ZINC000433023410 372578937 /nfs/dbraw/zinc/57/89/37/372578937.db2.gz PRNXVXSLVZXYQU-QZTJIDSGSA-N 1 3 285.435 3.495 20 30 CGEDHO CN1CCC[C@@H]1CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433023410 372578942 /nfs/dbraw/zinc/57/89/42/372578942.db2.gz PRNXVXSLVZXYQU-QZTJIDSGSA-N 1 3 285.435 3.495 20 30 CGEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCCC1)CC2 ZINC000353390085 220057528 /nfs/dbraw/zinc/05/75/28/220057528.db2.gz TZTPPZBMNFZXHU-SFHVURJKSA-N 1 3 283.419 3.011 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@H](C)CN1CCCCC1)C1CC1 ZINC000439083464 372972983 /nfs/dbraw/zinc/97/29/83/372972983.db2.gz CSGAVIBWOQPBBQ-RDJZCZTQSA-N 1 3 264.457 3.443 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414310111 380210943 /nfs/dbraw/zinc/21/09/43/380210943.db2.gz WBBRMFIYEPLVIN-CEXWTWQISA-N 1 3 284.447 3.390 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414310111 380210947 /nfs/dbraw/zinc/21/09/47/380210947.db2.gz WBBRMFIYEPLVIN-CEXWTWQISA-N 1 3 284.447 3.390 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000414310111 380210954 /nfs/dbraw/zinc/21/09/54/380210954.db2.gz WBBRMFIYEPLVIN-CEXWTWQISA-N 1 3 284.447 3.390 20 30 CGEDHO C=CCN(CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420315962 380849010 /nfs/dbraw/zinc/84/90/10/380849010.db2.gz MAJHVJATBCLBSE-GFCCVEGCSA-N 1 3 284.856 3.389 20 30 CGEDHO C[C@@H](NCCC(C)(C)C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347223077 287020854 /nfs/dbraw/zinc/02/08/54/287020854.db2.gz KCBXHELVSLEPES-HUUCEWRRSA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@@H](NCCC(C)(C)C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347223077 287020857 /nfs/dbraw/zinc/02/08/57/287020857.db2.gz KCBXHELVSLEPES-HUUCEWRRSA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000347223077 287020860 /nfs/dbraw/zinc/02/08/60/287020860.db2.gz KCBXHELVSLEPES-HUUCEWRRSA-N 1 3 277.456 3.169 20 30 CGEDHO C=CC[C@@H](CC)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000684930582 544041345 /nfs/dbraw/zinc/04/13/45/544041345.db2.gz GPAFCXKPPWBCTE-MRXNPFEDSA-N 1 3 276.424 3.071 20 30 CGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(CCC)C1 ZINC000657844216 419385542 /nfs/dbraw/zinc/38/55/42/419385542.db2.gz HNXVDJBCYLTRDC-ZACQAIPSSA-N 1 3 264.457 3.443 20 30 CGEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000658239465 419696775 /nfs/dbraw/zinc/69/67/75/419696775.db2.gz VDJHBLTXAHLIBY-OWCLPIDISA-N 1 3 250.430 3.195 20 30 CGEDHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000037786275 260117910 /nfs/dbraw/zinc/11/79/10/260117910.db2.gz DEXUHMKEHXEJAK-CQSZACIVSA-N 1 3 285.435 3.472 20 30 CGEDHO C=C[C@H](C)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449184629 260284345 /nfs/dbraw/zinc/28/43/45/260284345.db2.gz FPAVAJUXEGHBAU-HOTGVXAUSA-N 1 3 272.436 3.246 20 30 CGEDHO C=C(C)COCCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340305513 263107754 /nfs/dbraw/zinc/10/77/54/263107754.db2.gz LHXNYXWLZSEIHF-QZTJIDSGSA-N 1 3 288.435 3.004 20 30 CGEDHO C=C(C)COCCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340305513 263107755 /nfs/dbraw/zinc/10/77/55/263107755.db2.gz LHXNYXWLZSEIHF-QZTJIDSGSA-N 1 3 288.435 3.004 20 30 CGEDHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCCC#N)CC2)C1 ZINC000178644911 329201713 /nfs/dbraw/zinc/20/17/13/329201713.db2.gz CVJGKCBIQOHLGU-WBVHZDCISA-N 1 3 277.456 3.313 20 30 CGEDHO C=CC[NH+]1CCC(Nc2ccnc3ccccc32)CC1 ZINC000266346505 330063824 /nfs/dbraw/zinc/06/38/24/330063824.db2.gz IZCRTQGJWVLDSJ-UHFFFAOYSA-N 1 3 267.376 3.297 20 30 CGEDHO C=CCC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000422998862 330163506 /nfs/dbraw/zinc/16/35/06/330163506.db2.gz RIQHVXGMZHYZSO-SJORKVTESA-N 1 3 258.409 3.426 20 30 CGEDHO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000423129339 330171510 /nfs/dbraw/zinc/17/15/10/330171510.db2.gz QZUNZZLXJLYHPV-BZUAXINKSA-N 1 3 277.456 3.217 20 30 CGEDHO C=CCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000381860820 336074687 /nfs/dbraw/zinc/07/46/87/336074687.db2.gz IXJLKGGRBKIEHJ-CEXWTWQISA-N 1 3 284.447 3.453 20 30 CGEDHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000925588240 619075888 /nfs/dbraw/zinc/07/58/88/619075888.db2.gz PAOJYZFQATVYAL-HOTGVXAUSA-N 1 3 279.472 3.272 20 30 CGEDHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000925588240 619075889 /nfs/dbraw/zinc/07/58/89/619075889.db2.gz PAOJYZFQATVYAL-HOTGVXAUSA-N 1 3 279.472 3.272 20 30 CGEDHO CSc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1C#N ZINC000925773642 619235195 /nfs/dbraw/zinc/23/51/95/619235195.db2.gz NXIYEKJMNWKJQF-GJZGRUSLSA-N 1 3 289.448 3.030 20 30 CGEDHO C=CC[C@H](C)[C@H](C)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382758 621724091 /nfs/dbraw/zinc/72/40/91/621724091.db2.gz HRWSWBGGYMREET-ZOBUZTSGSA-N 1 3 275.440 3.265 20 30 CGEDHO C#C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000809684418 630779429 /nfs/dbraw/zinc/77/94/29/630779429.db2.gz BEYMDRCHAPJCQL-UHOSZYNNSA-N 1 3 284.447 3.144 20 30 CGEDHO C#C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000809684418 630779435 /nfs/dbraw/zinc/77/94/35/630779435.db2.gz BEYMDRCHAPJCQL-UHOSZYNNSA-N 1 3 284.447 3.144 20 30 CGEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000817957533 632252065 /nfs/dbraw/zinc/25/20/65/632252065.db2.gz CQGJNTNUVZWBNF-CZUORRHYSA-N 1 3 296.842 3.452 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)C1 ZINC000845943026 636121957 /nfs/dbraw/zinc/12/19/57/636121957.db2.gz XQXRLTXDTQWFOF-FXUDXRNXSA-N 1 3 250.430 3.194 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000924569522 638364324 /nfs/dbraw/zinc/36/43/24/638364324.db2.gz IVUFVCPPQMHUFA-LBPRGKRZSA-N 1 3 265.445 3.214 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](N)[C@H]1C ZINC001246019019 804100956 /nfs/dbraw/zinc/10/09/56/804100956.db2.gz HEFXJZBPMXHLKX-IXDOHACOSA-N 1 3 284.488 3.300 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](N)[C@H]1C ZINC001246019019 804100960 /nfs/dbraw/zinc/10/09/60/804100960.db2.gz HEFXJZBPMXHLKX-IXDOHACOSA-N 1 3 284.488 3.300 20 30 CGEDHO CC(C)[Si](C#CNCC[C@@H](C)[NH3+])(C(C)C)C(C)C ZINC001170890061 807925493 /nfs/dbraw/zinc/92/54/93/807925493.db2.gz RSECODXFESKCPB-OAHLLOKOSA-N 1 3 268.521 3.492 20 30 CGEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCN1CCC(C)CC1 ZINC001171178760 808000867 /nfs/dbraw/zinc/00/08/67/808000867.db2.gz KVZFOBNBJWJKRD-KRWDZBQOSA-N 1 3 299.462 3.201 20 30 CGEDHO CC1(C)C[C@H](NCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC001171984935 808164977 /nfs/dbraw/zinc/16/49/77/808164977.db2.gz YXQYHRUVBJOQSL-QGZVFWFLSA-N 1 3 285.435 3.323 20 30 CGEDHO CC1(C)C[C@H](NCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC001171984935 808164981 /nfs/dbraw/zinc/16/49/81/808164981.db2.gz YXQYHRUVBJOQSL-QGZVFWFLSA-N 1 3 285.435 3.323 20 30 CGEDHO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](CCCN)C1CCCCC1 ZINC001172295543 808218880 /nfs/dbraw/zinc/21/88/80/808218880.db2.gz SUOJGFYEQMUFLD-INIZCTEOSA-N 1 3 299.462 3.473 20 30 CGEDHO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](CCCN)C1CCCCC1 ZINC001172295543 808218885 /nfs/dbraw/zinc/21/88/85/808218885.db2.gz SUOJGFYEQMUFLD-INIZCTEOSA-N 1 3 299.462 3.473 20 30 CGEDHO C=CCCSCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC001182782265 810124604 /nfs/dbraw/zinc/12/46/04/810124604.db2.gz PDANXMIUVVIKHD-UHFFFAOYSA-N 1 3 284.513 3.396 20 30 CGEDHO C=CCCSCCNC1CC[NH+](CCC(C)C)CC1 ZINC001182782265 810124605 /nfs/dbraw/zinc/12/46/05/810124605.db2.gz PDANXMIUVVIKHD-UHFFFAOYSA-N 1 3 284.513 3.396 20 30 CGEDHO CCCCCCCCCCN1CCO[C@H](CC[NH3+])C1 ZINC001204748304 812724979 /nfs/dbraw/zinc/72/49/79/812724979.db2.gz ISCIPOMHTWMMPG-MRXNPFEDSA-N 1 3 270.461 3.177 20 30 CGEDHO C[C@@H]1CCN(Cc2ccc(Cl)c(C#N)c2)CC[C@H]1C[NH3+] ZINC001205651647 813042898 /nfs/dbraw/zinc/04/28/98/813042898.db2.gz HVVCGQMDINWCNO-OCCSQVGLSA-N 1 3 291.826 3.018 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001208178827 813730716 /nfs/dbraw/zinc/73/07/16/813730716.db2.gz XQXNSCQABRRWAN-MSOLQXFVSA-N 1 3 274.452 3.317 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC001208178827 813730719 /nfs/dbraw/zinc/73/07/19/813730719.db2.gz XQXNSCQABRRWAN-MSOLQXFVSA-N 1 3 274.452 3.317 20 30 CGEDHO C=CCCCCC[N@@H+]1CCCC[C@]12CCCNC2 ZINC001235174534 819024449 /nfs/dbraw/zinc/02/44/49/819024449.db2.gz UCRXYTLDGZOZDC-MRXNPFEDSA-N 1 3 250.430 3.341 20 30 CGEDHO C=CCCCCC[N@H+]1CCCC[C@]12CCCNC2 ZINC001235174534 819024453 /nfs/dbraw/zinc/02/44/53/819024453.db2.gz UCRXYTLDGZOZDC-MRXNPFEDSA-N 1 3 250.430 3.341 20 30 CGEDHO CCCCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235404123 819085392 /nfs/dbraw/zinc/08/53/92/819085392.db2.gz MNYTZSHKNHBAGQ-HZPDHXFCSA-N 1 3 270.436 3.370 20 30 CGEDHO CCCCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235404123 819085395 /nfs/dbraw/zinc/08/53/95/819085395.db2.gz MNYTZSHKNHBAGQ-HZPDHXFCSA-N 1 3 270.436 3.370 20 30 CGEDHO CCCCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235404123 819085399 /nfs/dbraw/zinc/08/53/99/819085399.db2.gz MNYTZSHKNHBAGQ-HZPDHXFCSA-N 1 3 270.436 3.370 20 30 CGEDHO CCCCCCC/C=C/CN1CC2(CC([NH3+])C2)C1 ZINC001235820311 819173672 /nfs/dbraw/zinc/17/36/72/819173672.db2.gz MAOMXBWRZFGIJI-CMDGGOBGSA-N 1 3 250.430 3.326 20 30 CGEDHO C#CCN(Cc1ccc(C[NH3+])cc1)[C@@H]1CCc2ccccc21 ZINC001235833363 819179273 /nfs/dbraw/zinc/17/92/73/819179273.db2.gz DLLNBKCRFPAIKX-HXUWFJFHSA-N 1 3 290.410 3.268 20 30 CGEDHO N#CC1(CCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CCCCC1 ZINC001580039037 962688788 /nfs/dbraw/zinc/68/87/88/962688788.db2.gz YITQRQLWILBMPC-IAGOWNOFSA-N 1 3 289.467 3.315 20 30 CGEDHO C=CC1CCN(C/C=C/C[NH+]2CCC(C=C)CC2)CC1 ZINC000111256433 345948701 /nfs/dbraw/zinc/94/87/01/345948701.db2.gz DZNNKMQJLYGVEO-AATRIKPKSA-N 1 3 274.452 3.339 20 30 CGEDHO C=CCCCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000193355382 346269481 /nfs/dbraw/zinc/26/94/81/346269481.db2.gz OGRDRKFKCASHQV-MRXNPFEDSA-N 1 3 250.430 3.151 20 30 CGEDHO C=CCCCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000193355382 346269483 /nfs/dbraw/zinc/26/94/83/346269483.db2.gz OGRDRKFKCASHQV-MRXNPFEDSA-N 1 3 250.430 3.151 20 30 CGEDHO C=CCCCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000193355382 346269487 /nfs/dbraw/zinc/26/94/87/346269487.db2.gz OGRDRKFKCASHQV-MRXNPFEDSA-N 1 3 250.430 3.151 20 30 CGEDHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1cccc(C#N)c1 ZINC000611388197 348443882 /nfs/dbraw/zinc/44/38/82/348443882.db2.gz YKXFZASKKTVSAS-WMLDXEAASA-N 1 3 271.408 3.083 20 30 CGEDHO C[C@H](CCC#N)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000618888389 349176340 /nfs/dbraw/zinc/17/63/40/349176340.db2.gz XHXDUJVUURFBNP-BZUAXINKSA-N 1 3 277.456 3.169 20 30 CGEDHO CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000361435823 261270879 /nfs/dbraw/zinc/27/08/79/261270879.db2.gz OGWHVVRJGAUOQS-IXDOHACOSA-N 1 3 277.456 3.169 20 30 CGEDHO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000361435823 261270880 /nfs/dbraw/zinc/27/08/80/261270880.db2.gz OGWHVVRJGAUOQS-IXDOHACOSA-N 1 3 277.456 3.169 20 30 CGEDHO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000423016334 371916090 /nfs/dbraw/zinc/91/60/90/371916090.db2.gz MGAMSFZVWDSAKL-RBUKOAKNSA-N 1 3 291.398 3.195 20 30 CGEDHO C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000423221995 372040331 /nfs/dbraw/zinc/04/03/31/372040331.db2.gz ZAZGFAVMWRQZEU-POZUXBRTSA-N 1 3 297.446 3.303 20 30 CGEDHO CN(CCCCC[N@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433309033 372588561 /nfs/dbraw/zinc/58/85/61/372588561.db2.gz WIKFNQSBCPMLJW-UHFFFAOYSA-N 1 3 292.471 3.120 20 30 CGEDHO CN(CCCCC[N@@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433309033 372588566 /nfs/dbraw/zinc/58/85/66/372588566.db2.gz WIKFNQSBCPMLJW-UHFFFAOYSA-N 1 3 292.471 3.120 20 30 CGEDHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442722175 373070812 /nfs/dbraw/zinc/07/08/12/373070812.db2.gz UYIPXNPJSBMNLQ-CRAIPNDOSA-N 1 3 285.435 3.309 20 30 CGEDHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442722175 373070819 /nfs/dbraw/zinc/07/08/19/373070819.db2.gz UYIPXNPJSBMNLQ-CRAIPNDOSA-N 1 3 285.435 3.309 20 30 CGEDHO C=CCC[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000471836043 375007971 /nfs/dbraw/zinc/00/79/71/375007971.db2.gz HPDJDFKFBAOEFD-ROUUACIJSA-N 1 3 272.436 3.235 20 30 CGEDHO C=CCC[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000471836043 375007977 /nfs/dbraw/zinc/00/79/77/375007977.db2.gz HPDJDFKFBAOEFD-ROUUACIJSA-N 1 3 272.436 3.235 20 30 CGEDHO C=CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477917442 375146064 /nfs/dbraw/zinc/14/60/64/375146064.db2.gz OEPQXWBREMPMET-LSDHHAIUSA-N 1 3 252.446 3.299 20 30 CGEDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248921165 377429682 /nfs/dbraw/zinc/42/96/82/377429682.db2.gz WRHGDBDJPWCFNW-BRWVUGGUSA-N 1 3 277.456 3.026 20 30 CGEDHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248921165 377429692 /nfs/dbraw/zinc/42/96/92/377429692.db2.gz WRHGDBDJPWCFNW-BRWVUGGUSA-N 1 3 277.456 3.026 20 30 CGEDHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248921165 377429702 /nfs/dbraw/zinc/42/97/02/377429702.db2.gz WRHGDBDJPWCFNW-BRWVUGGUSA-N 1 3 277.456 3.026 20 30 CGEDHO C=CC[C@H]1[N@@H+](C[C@@H]2CCCNC2)CCCC1(C)C ZINC000261875530 377862785 /nfs/dbraw/zinc/86/27/85/377862785.db2.gz VQIWYFJHGLWPRC-HUUCEWRRSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CC[C@H]1[N@H+](C[C@@H]2CCCNC2)CCCC1(C)C ZINC000261875530 377862789 /nfs/dbraw/zinc/86/27/89/377862789.db2.gz VQIWYFJHGLWPRC-HUUCEWRRSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CCN(CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420315965 380849489 /nfs/dbraw/zinc/84/94/89/380849489.db2.gz MAJHVJATBCLBSE-LBPRGKRZSA-N 1 3 284.856 3.389 20 30 CGEDHO CCN1CC[C@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839018 381631067 /nfs/dbraw/zinc/63/10/67/381631067.db2.gz WAFWRFIPPJZXFG-APWZRJJASA-N 1 3 297.446 3.257 20 30 CGEDHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839018 381631073 /nfs/dbraw/zinc/63/10/73/381631073.db2.gz WAFWRFIPPJZXFG-APWZRJJASA-N 1 3 297.446 3.257 20 30 CGEDHO CC[N@H+]1CC[C@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839018 381631077 /nfs/dbraw/zinc/63/10/77/381631077.db2.gz WAFWRFIPPJZXFG-APWZRJJASA-N 1 3 297.446 3.257 20 30 CGEDHO CC[NH+](CC)CC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000362959667 382166183 /nfs/dbraw/zinc/16/61/83/382166183.db2.gz CCTXCJAXFWZGJJ-UHFFFAOYSA-N 1 3 299.462 3.421 20 30 CGEDHO C=CCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426824367 393451942 /nfs/dbraw/zinc/45/19/42/393451942.db2.gz HSIZMDLASMKTMD-IAGOWNOFSA-N 1 3 294.483 3.164 20 30 CGEDHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCSCC#N ZINC000360948953 393621348 /nfs/dbraw/zinc/62/13/48/393621348.db2.gz XQAQQRCKQGICLR-HOTGVXAUSA-N 1 3 297.512 3.123 20 30 CGEDHO CCC#C[C@H](C)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000677477495 543450570 /nfs/dbraw/zinc/45/05/70/543450570.db2.gz IOIPKPKYXNLOJY-INIZCTEOSA-N 1 3 264.457 3.232 20 30 CGEDHO CCC#C[C@H](C)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000677477495 543450572 /nfs/dbraw/zinc/45/05/72/543450572.db2.gz IOIPKPKYXNLOJY-INIZCTEOSA-N 1 3 264.457 3.232 20 30 CGEDHO CCC#C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000680401214 543708846 /nfs/dbraw/zinc/70/88/46/543708846.db2.gz JNMMSHYIRPCZDF-ARFHVFGLSA-N 1 3 262.441 3.031 20 30 CGEDHO C=CCCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCCC1 ZINC000665236181 419086612 /nfs/dbraw/zinc/08/66/12/419086612.db2.gz IZCBXTRTGMXMJG-CABCVRRESA-N 1 3 250.430 3.373 20 30 CGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000657531418 419299300 /nfs/dbraw/zinc/29/93/00/419299300.db2.gz YRFAFGTXAWMFGY-NCOADZHNSA-N 1 3 262.441 3.338 20 30 CGEDHO C=CCCOCCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340317154 263110309 /nfs/dbraw/zinc/11/03/09/263110309.db2.gz UEXGSNVYWKHDNE-ROUUACIJSA-N 1 3 288.435 3.004 20 30 CGEDHO C=CCCOCCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340317154 263110310 /nfs/dbraw/zinc/11/03/10/263110310.db2.gz UEXGSNVYWKHDNE-ROUUACIJSA-N 1 3 288.435 3.004 20 30 CGEDHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCCC#N)CC2)C1 ZINC000178644950 329201685 /nfs/dbraw/zinc/20/16/85/329201685.db2.gz CVJGKCBIQOHLGU-DOTOQJQBSA-N 1 3 277.456 3.313 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423193189 330175891 /nfs/dbraw/zinc/17/58/91/330175891.db2.gz VGLWFBOFDRSEJX-HRBLRVMOSA-N 1 3 270.420 3.046 20 30 CGEDHO C[NH+]1CCC(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000892200303 618589825 /nfs/dbraw/zinc/58/98/25/618589825.db2.gz DLSQZPWGJZCUJP-OALUTQOASA-N 1 3 297.446 3.100 20 30 CGEDHO C=CCCCCC[C@@H](C)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790957 619250057 /nfs/dbraw/zinc/25/00/57/619250057.db2.gz JVEWJJLTXHVKSB-IAGOWNOFSA-N 1 3 294.483 3.260 20 30 CGEDHO N#Cc1ccc(CNC2CCC([NH+]3CCCCC3)CC2)o1 ZINC000751150910 620129669 /nfs/dbraw/zinc/12/96/69/620129669.db2.gz ALLRVCIBCVJAQP-UHFFFAOYSA-N 1 3 287.407 3.038 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000924687653 620563242 /nfs/dbraw/zinc/56/32/42/620563242.db2.gz XPUYMFIFILKQEI-BZUAXINKSA-N 1 3 279.472 3.272 20 30 CGEDHO C=CCC[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000903378883 621721448 /nfs/dbraw/zinc/72/14/48/621721448.db2.gz FCBIQYNVMGBHQF-ZWKOTPCHSA-N 1 3 287.451 3.409 20 30 CGEDHO C[C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)[C@@H]1CCN ZINC000903768414 621803825 /nfs/dbraw/zinc/80/38/25/621803825.db2.gz MTELAROYOXWROM-HZPDHXFCSA-N 1 3 277.456 3.300 20 30 CGEDHO C[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@@H]1CCN ZINC000903768414 621803826 /nfs/dbraw/zinc/80/38/26/621803826.db2.gz MTELAROYOXWROM-HZPDHXFCSA-N 1 3 277.456 3.300 20 30 CGEDHO C#CC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000775421782 628093896 /nfs/dbraw/zinc/09/38/96/628093896.db2.gz JIQLQLOGHKLOIK-LJQANCHMSA-N 1 3 282.431 3.215 20 30 CGEDHO C=CC(C)(C)CCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000873279396 634315749 /nfs/dbraw/zinc/31/57/49/634315749.db2.gz HKYHVHOOPBVYOJ-ZDUSSCGKSA-N 1 3 275.440 3.492 20 30 CGEDHO CC(C)([NH3+])CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000925739162 638591922 /nfs/dbraw/zinc/59/19/22/638591922.db2.gz ULRBLLUJYMJPBM-MRXNPFEDSA-N 1 3 271.408 3.043 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000926737296 638805213 /nfs/dbraw/zinc/80/52/13/638805213.db2.gz FAFPKXVULINHOL-GOEBONIOSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737296 638805216 /nfs/dbraw/zinc/80/52/16/638805216.db2.gz FAFPKXVULINHOL-GOEBONIOSA-N 1 3 277.456 3.026 20 30 CGEDHO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001253256181 806197951 /nfs/dbraw/zinc/19/79/51/806197951.db2.gz RZJLESLXGJZVHL-KSZLIROESA-N 1 3 296.499 3.336 20 30 CGEDHO CCCCCCCCCCCC[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206506728 813338549 /nfs/dbraw/zinc/33/85/49/813338549.db2.gz NEZOIRXJKDABQL-IRXDYDNUSA-N 1 3 284.488 3.159 20 30 CGEDHO CCCCCCCCCCCC[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206506728 813338557 /nfs/dbraw/zinc/33/85/57/813338557.db2.gz NEZOIRXJKDABQL-IRXDYDNUSA-N 1 3 284.488 3.159 20 30 CGEDHO CCCCCCCCCC[C@H](O)CNC[C@@H]1CC[NH2+][C@@H]1C ZINC001245994165 804095401 /nfs/dbraw/zinc/09/54/01/804095401.db2.gz QHEPPSZJMBATMM-SQNIBIBYSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CNC[C@H]1CC[NH2+]C1 ZINC001245994381 804095899 /nfs/dbraw/zinc/09/58/99/804095899.db2.gz RIMFSSFWUVZQJF-DLBZAZTESA-N 1 3 284.488 3.077 20 30 CGEDHO CCCCCCCC[C@@H](O)C[NH2+]CC1(N)CCCCC1 ZINC001245991753 804096103 /nfs/dbraw/zinc/09/61/03/804096103.db2.gz HANQEZOYVBMIDL-MRXNPFEDSA-N 1 3 284.488 3.349 20 30 CGEDHO CCCCCCCC[C@@H](O)CNCC1([NH3+])CCCCC1 ZINC001245991753 804096113 /nfs/dbraw/zinc/09/61/13/804096113.db2.gz HANQEZOYVBMIDL-MRXNPFEDSA-N 1 3 284.488 3.349 20 30 CGEDHO N#CC1CCC(N2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001256962229 807017558 /nfs/dbraw/zinc/01/75/58/807017558.db2.gz DIZCQRUWXJBCKR-UHFFFAOYSA-N 1 3 283.419 3.019 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3C[C@H]4CN(CCC)C[C@H]4C3)C[C@H](C1)C2 ZINC001257894385 807244414 /nfs/dbraw/zinc/24/44/14/807244414.db2.gz RSWAUVKGVHBWCI-MKAJOQBOSA-N 1 3 288.479 3.395 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3C[C@H]4CN(CCC)C[C@H]4C3)C[C@H](C1)C2 ZINC001257894385 807244418 /nfs/dbraw/zinc/24/44/18/807244418.db2.gz RSWAUVKGVHBWCI-MKAJOQBOSA-N 1 3 288.479 3.395 20 30 CGEDHO C#C[C@@H]([NH2+]C1CCN(CCC(C)C)CC1)C(C)(C)C ZINC001206077168 813192047 /nfs/dbraw/zinc/19/20/47/813192047.db2.gz IMDGJMKMKIUBKO-MRXNPFEDSA-N 1 3 264.457 3.134 20 30 CGEDHO C[C@]1(C[NH3+])CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001206325276 813290345 /nfs/dbraw/zinc/29/03/45/813290345.db2.gz HAOUDEOMRGJHBE-INIZCTEOSA-N 1 3 291.826 3.163 20 30 CGEDHO C#CCCC[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001209267129 813989103 /nfs/dbraw/zinc/98/91/03/813989103.db2.gz AXZGGCARRJOJGI-UHFFFAOYSA-N 1 3 262.441 3.129 20 30 CGEDHO C#CCCC[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001209267129 813989107 /nfs/dbraw/zinc/98/91/07/813989107.db2.gz AXZGGCARRJOJGI-UHFFFAOYSA-N 1 3 262.441 3.129 20 30 CGEDHO CCc1cc(CN2CCC[C@@]23CCC[NH2+]CC3)ccc1C#N ZINC001222320259 816408615 /nfs/dbraw/zinc/40/86/15/816408615.db2.gz FJHVDMSVSBUYNN-LJQANCHMSA-N 1 3 297.446 3.229 20 30 CGEDHO C=CCCCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234995218 818972321 /nfs/dbraw/zinc/97/23/21/818972321.db2.gz ZABJHZCDTSCQLQ-MRXNPFEDSA-N 1 3 250.430 3.198 20 30 CGEDHO C=CCCCCCCCCN(C)C[C@H]1CC[NH2+]C1 ZINC001235842355 819183051 /nfs/dbraw/zinc/18/30/51/819183051.db2.gz OICQQPGRGTYZLN-INIZCTEOSA-N 1 3 252.446 3.444 20 30 CGEDHO N#Cc1cccc(CN2CCC(CC3CC[NH2+]CC3)CC2)c1 ZINC001236947041 819637878 /nfs/dbraw/zinc/63/78/78/819637878.db2.gz HKZBETSCMVZFOL-UHFFFAOYSA-N 1 3 297.446 3.160 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2CCC[C@](C)(C[NH3+])C2)CC1 ZINC001237055162 819654789 /nfs/dbraw/zinc/65/47/89/819654789.db2.gz ALGUEYMMYOWCJR-IAGOWNOFSA-N 1 3 262.441 3.350 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001561052450 938291982 /nfs/dbraw/zinc/29/19/82/938291982.db2.gz BEJGMXBHCLVRHO-ZJIFWQFVSA-N 1 3 250.430 3.051 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000651721071 398275649 /nfs/dbraw/zinc/27/56/49/398275649.db2.gz RUKNOBUJMFSVGI-TVFCKZIOSA-N 1 3 294.483 3.210 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000591577505 346930011 /nfs/dbraw/zinc/93/00/11/346930011.db2.gz NFMPEWSSVSOGFQ-NJAFHUGGSA-N 1 3 283.419 3.043 20 30 CGEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000091587627 345818596 /nfs/dbraw/zinc/81/85/96/345818596.db2.gz LCENPBOACRUSPU-JKSUJKDBSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@H](C)[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000091587627 345818597 /nfs/dbraw/zinc/81/85/97/345818597.db2.gz LCENPBOACRUSPU-JKSUJKDBSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@H](C)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000091587627 345818599 /nfs/dbraw/zinc/81/85/99/345818599.db2.gz LCENPBOACRUSPU-JKSUJKDBSA-N 1 3 252.446 3.395 20 30 CGEDHO CC(C)CN1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000174261424 346240031 /nfs/dbraw/zinc/24/00/31/346240031.db2.gz XXUDWSQWOGKCLN-UHFFFAOYSA-N 1 3 265.445 3.026 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123057 349981288 /nfs/dbraw/zinc/98/12/88/349981288.db2.gz DXKDKDBATYFXNN-HOTGVXAUSA-N 1 3 252.446 3.443 20 30 CGEDHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000414196837 235361274 /nfs/dbraw/zinc/36/12/74/235361274.db2.gz VKYQMXJSYRCGBE-KBPBESRZSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000414196837 235361278 /nfs/dbraw/zinc/36/12/78/235361278.db2.gz VKYQMXJSYRCGBE-KBPBESRZSA-N 1 3 289.398 3.080 20 30 CGEDHO N#Cc1cccc(C2([NH2+]CCCN3CCCCC3)CC2)c1 ZINC000275473854 193052638 /nfs/dbraw/zinc/05/26/38/193052638.db2.gz PJAGWBVUOWZAIH-UHFFFAOYSA-N 1 3 283.419 3.013 20 30 CGEDHO C=CCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000133125962 371228653 /nfs/dbraw/zinc/22/86/53/371228653.db2.gz USIYLOHVRSISLO-MRXNPFEDSA-N 1 3 250.430 3.151 20 30 CGEDHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[C@H](C#N)C2)C1 ZINC000442793834 373084633 /nfs/dbraw/zinc/08/46/33/373084633.db2.gz SDYPMTPWBAWCJC-PMPSAXMXSA-N 1 3 277.456 3.169 20 30 CGEDHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CC[C@H](C#N)C2)C1 ZINC000442793834 373084645 /nfs/dbraw/zinc/08/46/45/373084645.db2.gz SDYPMTPWBAWCJC-PMPSAXMXSA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(C#N)c1 ZINC000181860044 374183663 /nfs/dbraw/zinc/18/36/63/374183663.db2.gz XCIRODXSAPEBMF-XKQJLSEDSA-N 1 3 271.408 3.082 20 30 CGEDHO C=C[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499221582 375629929 /nfs/dbraw/zinc/62/99/29/375629929.db2.gz ZWWOMEZGABWLAD-OWLYRPNTSA-N 1 3 270.420 3.346 20 30 CGEDHO C=C[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221582 375629938 /nfs/dbraw/zinc/62/99/38/375629938.db2.gz ZWWOMEZGABWLAD-OWLYRPNTSA-N 1 3 270.420 3.346 20 30 CGEDHO N#C[C@@H]1CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000192926166 375803623 /nfs/dbraw/zinc/80/36/23/375803623.db2.gz HESGXCDXDNHULN-NVXWUHKLSA-N 1 3 289.467 3.455 20 30 CGEDHO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000192926166 375803628 /nfs/dbraw/zinc/80/36/28/375803628.db2.gz HESGXCDXDNHULN-NVXWUHKLSA-N 1 3 289.467 3.455 20 30 CGEDHO CC[C@H]([NH2+]CCCN1CCCC1)c1ccc(C#N)cc1 ZINC000278235972 379323155 /nfs/dbraw/zinc/32/31/55/379323155.db2.gz KWBKBQUEHNSRAA-KRWDZBQOSA-N 1 3 271.408 3.085 20 30 CGEDHO C=CCOc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414933454 542640154 /nfs/dbraw/zinc/64/01/54/542640154.db2.gz WXEMVTCFAUSMQQ-KBPBESRZSA-N 1 3 294.826 3.264 20 30 CGEDHO C#CCCCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000090398435 264399765 /nfs/dbraw/zinc/39/97/65/264399765.db2.gz FZLDAWGSSMQCAI-INIZCTEOSA-N 1 3 288.435 3.081 20 30 CGEDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(C#N)cc1 ZINC000181859926 290049418 /nfs/dbraw/zinc/04/94/18/290049418.db2.gz CCDWPUCWVOBBSS-JQFCIGGWSA-N 1 3 271.408 3.082 20 30 CGEDHO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423136857 330172095 /nfs/dbraw/zinc/17/20/95/330172095.db2.gz PTJHHQZGCUULGK-LBPRGKRZSA-N 1 3 261.413 3.102 20 30 CGEDHO CC1CC[NH+](CCCCNCc2ccc(C#N)s2)CC1 ZINC000176948455 335342558 /nfs/dbraw/zinc/34/25/58/335342558.db2.gz OTYWGYFZPAAVKG-UHFFFAOYSA-N 1 3 291.464 3.221 20 30 CGEDHO C[NH+]1CCC(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000892200304 618589921 /nfs/dbraw/zinc/58/99/21/618589921.db2.gz DLSQZPWGJZCUJP-RBUKOAKNSA-N 1 3 297.446 3.100 20 30 CGEDHO CC(C)(CCC#N)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925670839 619122905 /nfs/dbraw/zinc/12/29/05/619122905.db2.gz AAMLJNKYEGUGGG-HOTGVXAUSA-N 1 3 277.456 3.074 20 30 CGEDHO C[NH+]1C[C@@]2(C)CN(CCCCC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316942 619143343 /nfs/dbraw/zinc/14/33/43/619143343.db2.gz LPQRSXREQKXEEY-IRXDYDNUSA-N 1 3 289.467 3.124 20 30 CGEDHO CN(CCCC[NH+]1CCCCC1)Cc1cc(C#N)cs1 ZINC000895684729 619872728 /nfs/dbraw/zinc/87/27/28/619872728.db2.gz FCFRTASTZLOTLX-UHFFFAOYSA-N 1 3 291.464 3.318 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000903476214 621763869 /nfs/dbraw/zinc/76/38/69/621763869.db2.gz QKWXIANJEVNWNW-IBGZPJMESA-N 1 3 299.462 3.372 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000903476214 621763874 /nfs/dbraw/zinc/76/38/74/621763874.db2.gz QKWXIANJEVNWNW-IBGZPJMESA-N 1 3 299.462 3.372 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[NH2+]C1CCN(C(C)C)CC1 ZINC000921499279 624945382 /nfs/dbraw/zinc/94/53/82/624945382.db2.gz VWVXAPRELINKQG-UHFFFAOYSA-N 1 3 285.435 3.138 20 30 CGEDHO C#CCCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000878412544 635496478 /nfs/dbraw/zinc/49/64/78/635496478.db2.gz VUDROGUJQROQIM-DLBZAZTESA-N 1 3 276.468 3.423 20 30 CGEDHO C#CCOc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000843344115 635652351 /nfs/dbraw/zinc/65/23/51/635652351.db2.gz QZQBFRCBFQFLSM-OAHLLOKOSA-N 1 3 294.398 3.008 20 30 CGEDHO C=CC[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccncc1 ZINC000925499129 638256026 /nfs/dbraw/zinc/25/60/26/638256026.db2.gz VWWKLPMAMLXPSK-PMPSAXMXSA-N 1 3 273.424 3.194 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NC[C@H](C)C[NH+]1CCCCC1 ZINC000924723081 638394108 /nfs/dbraw/zinc/39/41/08/638394108.db2.gz VWZWHFKATXGPGV-LSDHHAIUSA-N 1 3 265.445 3.026 20 30 CGEDHO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000924723081 638394111 /nfs/dbraw/zinc/39/41/11/638394111.db2.gz VWZWHFKATXGPGV-LSDHHAIUSA-N 1 3 265.445 3.026 20 30 CGEDHO CC(C)([NH3+])CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000925739161 638591627 /nfs/dbraw/zinc/59/16/27/638591627.db2.gz ULRBLLUJYMJPBM-INIZCTEOSA-N 1 3 271.408 3.043 20 30 CGEDHO CCCCCCCC[C@H](O)CN(CC)CCC[NH+](C)C ZINC001252134059 806019715 /nfs/dbraw/zinc/01/97/15/806019715.db2.gz UQWHTMFLFQYLTM-KRWDZBQOSA-N 1 3 286.504 3.372 20 30 CGEDHO C=C[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716716065 800179454 /nfs/dbraw/zinc/17/94/54/800179454.db2.gz ZHCDCGBIPNOUDN-UBDQQSCGSA-N 1 3 270.420 3.204 20 30 CGEDHO C=C[C@@H](C)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716716065 800179456 /nfs/dbraw/zinc/17/94/56/800179456.db2.gz ZHCDCGBIPNOUDN-UBDQQSCGSA-N 1 3 270.420 3.204 20 30 CGEDHO C=C[C@@H](C)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716716065 800179459 /nfs/dbraw/zinc/17/94/59/800179459.db2.gz ZHCDCGBIPNOUDN-UBDQQSCGSA-N 1 3 270.420 3.204 20 30 CGEDHO C=C(C[NH+]1CCCC1)C(=O)NCCP(C(C)C)C(C)C ZINC001183091466 810136637 /nfs/dbraw/zinc/13/66/37/810136637.db2.gz GYLXNCJZLFRDTG-UHFFFAOYSA-N 1 3 298.411 3.053 20 30 CGEDHO CCCCCCCC[C@@H](O)CNC[C@@]1(C)CCCC[NH2+]C1 ZINC001245990400 804094812 /nfs/dbraw/zinc/09/48/12/804094812.db2.gz IVXZYZXEHUZTRT-MSOLQXFVSA-N 1 3 298.515 3.467 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CNC1(C[NH3+])CCC1 ZINC001246012278 804098839 /nfs/dbraw/zinc/09/88/39/804098839.db2.gz XSSLIJDHIDYHSU-MRXNPFEDSA-N 1 3 284.488 3.349 20 30 CGEDHO CCCCCCCCC[C@H](C)N[C@@H]1COCCC12C[NH2+]C2 ZINC001246139417 804163987 /nfs/dbraw/zinc/16/39/87/804163987.db2.gz TWMNWISMNMUKDW-DLBZAZTESA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCC[C@@H](CC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246467696 804345527 /nfs/dbraw/zinc/34/55/27/804345527.db2.gz VDCXAZNJICXTCM-OAGGEKHMSA-N 1 3 270.461 3.092 20 30 CGEDHO CCCCCCCC[C@H](CC)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246625396 804457422 /nfs/dbraw/zinc/45/74/22/804457422.db2.gz RHPXPGBHWOFYRP-FGTMMUONSA-N 1 3 296.499 3.436 20 30 CGEDHO CCCN1CCC([NH2+]Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001258771286 807604973 /nfs/dbraw/zinc/60/49/73/807604973.db2.gz ZRTZAXUJUGNXMA-UHFFFAOYSA-N 1 3 291.826 3.176 20 30 CGEDHO CCC(CC)[N@@H+]1CC[C@H](N[C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171194274 808006671 /nfs/dbraw/zinc/00/66/71/808006671.db2.gz IUIPCHDPHGOIPP-QAPCUYQASA-N 1 3 299.462 3.342 20 30 CGEDHO CCC(CC)[N@H+]1CC[C@H](N[C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171194274 808006678 /nfs/dbraw/zinc/00/66/78/808006678.db2.gz IUIPCHDPHGOIPP-QAPCUYQASA-N 1 3 299.462 3.342 20 30 CGEDHO C=CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063800 808169846 /nfs/dbraw/zinc/16/98/46/808169846.db2.gz DOGIWZSOPBWRFB-NNZMDNLPSA-N 1 3 270.420 3.348 20 30 CGEDHO C=CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063800 808169850 /nfs/dbraw/zinc/16/98/50/808169850.db2.gz DOGIWZSOPBWRFB-NNZMDNLPSA-N 1 3 270.420 3.348 20 30 CGEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC001172292084 808217498 /nfs/dbraw/zinc/21/74/98/808217498.db2.gz CJDCGBQLSUOFJO-SJORKVTESA-N 1 3 299.462 3.343 20 30 CGEDHO C=CCCCCCC[N@@H+]1CCC[C@]12CCCNC2 ZINC001222238091 816383126 /nfs/dbraw/zinc/38/31/26/816383126.db2.gz ZPFQALRYDRRMOG-INIZCTEOSA-N 1 3 250.430 3.341 20 30 CGEDHO C=CCCCCCC[N@H+]1CCC[C@]12CCCNC2 ZINC001222238091 816383134 /nfs/dbraw/zinc/38/31/34/816383134.db2.gz ZPFQALRYDRRMOG-INIZCTEOSA-N 1 3 250.430 3.341 20 30 CGEDHO CCCCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235404121 819085943 /nfs/dbraw/zinc/08/59/43/819085943.db2.gz MNYTZSHKNHBAGQ-CVEARBPZSA-N 1 3 270.436 3.370 20 30 CGEDHO CCCCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235404121 819085949 /nfs/dbraw/zinc/08/59/49/819085949.db2.gz MNYTZSHKNHBAGQ-CVEARBPZSA-N 1 3 270.436 3.370 20 30 CGEDHO CCCCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235404121 819085955 /nfs/dbraw/zinc/08/59/55/819085955.db2.gz MNYTZSHKNHBAGQ-CVEARBPZSA-N 1 3 270.436 3.370 20 30 CGEDHO C=CCC[N@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001460624390 937536916 /nfs/dbraw/zinc/53/69/16/937536916.db2.gz BRHYQWGQVXIIGQ-INIZCTEOSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCC[N@@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001460624390 937536918 /nfs/dbraw/zinc/53/69/18/937536918.db2.gz BRHYQWGQVXIIGQ-INIZCTEOSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C1 ZINC000651808196 398290810 /nfs/dbraw/zinc/29/08/10/398290810.db2.gz ISRILVZYJCZORV-OWCLPIDISA-N 1 3 250.430 3.051 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCC[C@H]1C[NH3+] ZINC000591577507 346929940 /nfs/dbraw/zinc/92/99/40/346929940.db2.gz NFMPEWSSVSOGFQ-SZMVWBNQSA-N 1 3 283.419 3.043 20 30 CGEDHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc(C#N)cc1 ZINC000596649678 347497769 /nfs/dbraw/zinc/49/77/69/347497769.db2.gz FBGLWSHHYPRNLB-CRAIPNDOSA-N 1 3 285.435 3.001 20 30 CGEDHO C=CCC[C@@H](CC)[NH2+]Cc1cccc2c1CCNC2 ZINC000635010447 351628462 /nfs/dbraw/zinc/62/84/62/351628462.db2.gz LGTIEZRQZZPNHM-MRXNPFEDSA-N 1 3 258.409 3.167 20 30 CGEDHO CC[NH+](CC)CCC[C@@H](C)NCc1ccc(C#N)cc1F ZINC000020049170 368796056 /nfs/dbraw/zinc/79/60/56/368796056.db2.gz ISKPTVFAGOAGLH-CQSZACIVSA-N 1 3 291.414 3.297 20 30 CGEDHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cccc(C#N)c1 ZINC000067691484 369725253 /nfs/dbraw/zinc/72/52/53/369725253.db2.gz IFPVEMBPYFBNMZ-INIZCTEOSA-N 1 3 285.435 3.302 20 30 CGEDHO C[C@H]1CCCC[N@H+]1CCCCNCc1cccc(C#N)c1 ZINC000067691484 369725256 /nfs/dbraw/zinc/72/52/56/369725256.db2.gz IFPVEMBPYFBNMZ-INIZCTEOSA-N 1 3 285.435 3.302 20 30 CGEDHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCN1 ZINC000423393541 372060800 /nfs/dbraw/zinc/06/08/00/372060800.db2.gz YSHMJTJHBWBREA-MZMPZRCHSA-N 1 3 283.419 3.056 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H](C[NH3+])C1CCCC1 ZINC000423494782 372068392 /nfs/dbraw/zinc/06/83/92/372068392.db2.gz BAHLEVQONGFPRZ-RTBURBONSA-N 1 3 297.446 3.433 20 30 CGEDHO C=CC[C@H](C)[C@@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159607386 372160754 /nfs/dbraw/zinc/16/07/54/372160754.db2.gz ONTVUNCWAZNEJS-QWHCGFSZSA-N 1 3 252.446 3.486 20 30 CGEDHO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[C@@H](C#N)C2)C1 ZINC000442793831 373084079 /nfs/dbraw/zinc/08/40/79/373084079.db2.gz SDYPMTPWBAWCJC-OAGGEKHMSA-N 1 3 277.456 3.169 20 30 CGEDHO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CC[C@@H](C#N)C2)C1 ZINC000442793831 373084087 /nfs/dbraw/zinc/08/40/87/373084087.db2.gz SDYPMTPWBAWCJC-OAGGEKHMSA-N 1 3 277.456 3.169 20 30 CGEDHO C#Cc1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1 ZINC000290196838 392442384 /nfs/dbraw/zinc/44/23/84/392442384.db2.gz CQBLEPOUJWRZMU-UHFFFAOYSA-N 1 3 278.399 3.019 20 30 CGEDHO CCCCCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374418939 392678194 /nfs/dbraw/zinc/67/81/94/392678194.db2.gz FUHIYJNCYBDKSF-IXDOHACOSA-N 1 3 282.472 3.140 20 30 CGEDHO CCCCN1CCC([NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443995189 393781208 /nfs/dbraw/zinc/78/12/08/393781208.db2.gz VAYXLHIJJSDFOR-UHFFFAOYSA-N 1 3 285.435 3.221 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000663344309 419569817 /nfs/dbraw/zinc/56/98/17/419569817.db2.gz RENBEGQOTPATSM-KBAYOESNSA-N 1 3 276.468 3.443 20 30 CGEDHO N#C[C@@H]1CCC[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000192619709 262206503 /nfs/dbraw/zinc/20/65/03/262206503.db2.gz TYFONKASVWXWKK-MOPGFXCFSA-N 1 3 297.446 3.454 20 30 CGEDHO N#C[C@H]1CCC[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000192619685 262206617 /nfs/dbraw/zinc/20/66/17/262206617.db2.gz TYFONKASVWXWKK-OALUTQOASA-N 1 3 297.446 3.454 20 30 CGEDHO C=CCN(Cc1ccccc1F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414691088 263032817 /nfs/dbraw/zinc/03/28/17/263032817.db2.gz NZSHZMWDQHFQHL-LSDHHAIUSA-N 1 3 276.399 3.202 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)C1CC1 ZINC000439083630 263098539 /nfs/dbraw/zinc/09/85/39/263098539.db2.gz CSGAVIBWOQPBBQ-WBVHZDCISA-N 1 3 264.457 3.443 20 30 CGEDHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(C#N)s2)C1 ZINC000176948388 278342198 /nfs/dbraw/zinc/34/21/98/278342198.db2.gz BQYHAIWGDPYDIW-AWEZNQCLSA-N 1 3 291.464 3.221 20 30 CGEDHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(C#N)s2)C1 ZINC000176948388 278342199 /nfs/dbraw/zinc/34/21/99/278342199.db2.gz BQYHAIWGDPYDIW-AWEZNQCLSA-N 1 3 291.464 3.221 20 30 CGEDHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447540004 288069854 /nfs/dbraw/zinc/06/98/54/288069854.db2.gz BPGAXYOSUJHJIM-XYPHTWIQSA-N 1 3 271.408 3.082 20 30 CGEDHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447540004 288069857 /nfs/dbraw/zinc/06/98/57/288069857.db2.gz BPGAXYOSUJHJIM-XYPHTWIQSA-N 1 3 271.408 3.082 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)N1CCC(CC[NH+](C)C)CC1 ZINC000118532690 290219253 /nfs/dbraw/zinc/21/92/53/290219253.db2.gz LBRGXGWMOHHUIO-OAHLLOKOSA-N 1 3 285.435 3.283 20 30 CGEDHO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000558419135 327092853 /nfs/dbraw/zinc/09/28/53/327092853.db2.gz ORDOWSHPBFZFFX-HZPDHXFCSA-N 1 3 252.446 3.441 20 30 CGEDHO C=CCC[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C1CC1 ZINC000477946082 331695295 /nfs/dbraw/zinc/69/52/95/331695295.db2.gz PRDLICSCLANCPL-MRXNPFEDSA-N 1 3 264.457 3.443 20 30 CGEDHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000174431365 335154339 /nfs/dbraw/zinc/15/43/39/335154339.db2.gz GHZVYGOMMZWMDA-OAHLLOKOSA-N 1 3 293.414 3.471 20 30 CGEDHO C=CCC(C)(C)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000551240609 334242490 /nfs/dbraw/zinc/24/24/90/334242490.db2.gz OKPPZAVBWXLVAV-UHFFFAOYSA-N 1 3 252.446 3.441 20 30 CGEDHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000052205646 525363969 /nfs/dbraw/zinc/36/39/69/525363969.db2.gz LOZMUVUEGLFARY-WMLDXEAASA-N 1 3 271.408 3.083 20 30 CGEDHO C=CC[C@H](C)[C@@H](C)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382755 621724187 /nfs/dbraw/zinc/72/41/87/621724187.db2.gz HRWSWBGGYMREET-UXLLHSPISA-N 1 3 275.440 3.265 20 30 CGEDHO C[C@@H](NCc1cc2c(s1)CC[NH2+]C2)c1cccc(C#N)c1 ZINC000903950094 621840839 /nfs/dbraw/zinc/84/08/39/621840839.db2.gz IKYFESUGLSJPGJ-GFCCVEGCSA-N 1 3 297.427 3.116 20 30 CGEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000817957532 632252596 /nfs/dbraw/zinc/25/25/96/632252596.db2.gz CQGJNTNUVZWBNF-CJNGLKHVSA-N 1 3 296.842 3.452 20 30 CGEDHO C#CCCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285574 635444462 /nfs/dbraw/zinc/44/44/62/635444462.db2.gz CFQPWWWPWZTEAP-FUHWJXTLSA-N 1 3 274.452 3.129 20 30 CGEDHO C#CCCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878285574 635444470 /nfs/dbraw/zinc/44/44/70/635444470.db2.gz CFQPWWWPWZTEAP-FUHWJXTLSA-N 1 3 274.452 3.129 20 30 CGEDHO CCCCCCCN(CC)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253391493 806214328 /nfs/dbraw/zinc/21/43/28/806214328.db2.gz PHGHRQCMKQDHPW-OAHLLOKOSA-N 1 3 272.477 3.028 20 30 CGEDHO CCCCCCC[N@H+](CC)C[C@H](O)CNC(C)(C)C ZINC001253391493 806214331 /nfs/dbraw/zinc/21/43/31/806214331.db2.gz PHGHRQCMKQDHPW-OAHLLOKOSA-N 1 3 272.477 3.028 20 30 CGEDHO CCCCCCC[N@@H+](CC)C[C@H](O)CNC(C)(C)C ZINC001253391493 806214335 /nfs/dbraw/zinc/21/43/35/806214335.db2.gz PHGHRQCMKQDHPW-OAHLLOKOSA-N 1 3 272.477 3.028 20 30 CGEDHO CCCCCCC[C@@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253411750 806216687 /nfs/dbraw/zinc/21/66/87/806216687.db2.gz VPZALDJIWCQPLW-CABCVRRESA-N 1 3 272.477 3.074 20 30 CGEDHO CCCCCCC[C@@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253411750 806216693 /nfs/dbraw/zinc/21/66/93/806216693.db2.gz VPZALDJIWCQPLW-CABCVRRESA-N 1 3 272.477 3.074 20 30 CGEDHO CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001245982159 804093024 /nfs/dbraw/zinc/09/30/24/804093024.db2.gz ITGJGKDALQYXHR-XDNAFOTISA-N 1 3 296.499 3.076 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001245982159 804093034 /nfs/dbraw/zinc/09/30/34/804093034.db2.gz ITGJGKDALQYXHR-XDNAFOTISA-N 1 3 296.499 3.076 20 30 CGEDHO C=CCCCCCC[C@@H](O)CNC[C@@]1(C)CCCC[NH2+]C1 ZINC001245995702 804096511 /nfs/dbraw/zinc/09/65/11/804096511.db2.gz UEPVIOKPTNDLLG-MSOLQXFVSA-N 1 3 296.499 3.243 20 30 CGEDHO CN(Cc1ccc(C#N)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121997 808182851 /nfs/dbraw/zinc/18/28/51/808182851.db2.gz OQORWFMJIJLKJA-PIIMJCKOSA-N 1 3 283.419 3.005 20 30 CGEDHO CN(Cc1ccc(C#N)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121997 808182858 /nfs/dbraw/zinc/18/28/58/808182858.db2.gz OQORWFMJIJLKJA-PIIMJCKOSA-N 1 3 283.419 3.005 20 30 CGEDHO N#CCC1CCC([N@H+](CCCN)C2CCCCC2)CC1 ZINC001173325898 808612421 /nfs/dbraw/zinc/61/24/21/808612421.db2.gz PLFMQMBOUNEHTQ-UHFFFAOYSA-N 1 3 277.456 3.442 20 30 CGEDHO N#CCC1CCC([N@@H+](CCCN)C2CCCCC2)CC1 ZINC001173325898 808612424 /nfs/dbraw/zinc/61/24/24/808612424.db2.gz PLFMQMBOUNEHTQ-UHFFFAOYSA-N 1 3 277.456 3.442 20 30 CGEDHO C=CCCCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209164180 813955537 /nfs/dbraw/zinc/95/55/37/813955537.db2.gz UINCKMVOFJTCSV-OALUTQOASA-N 1 3 284.447 3.407 20 30 CGEDHO C=CCCCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209164180 813955538 /nfs/dbraw/zinc/95/55/38/813955538.db2.gz UINCKMVOFJTCSV-OALUTQOASA-N 1 3 284.447 3.407 20 30 CGEDHO C=CCCCCN1CCN(CC[NH+](CCC)CCC)CC1 ZINC001209206780 813966178 /nfs/dbraw/zinc/96/61/78/813966178.db2.gz APIPZAMUCCEQNW-UHFFFAOYSA-N 1 3 295.515 3.082 20 30 CGEDHO C=CCCCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234995217 818971655 /nfs/dbraw/zinc/97/16/55/818971655.db2.gz ZABJHZCDTSCQLQ-INIZCTEOSA-N 1 3 250.430 3.198 20 30 CGEDHO C=CCN(C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237887188 819870104 /nfs/dbraw/zinc/87/01/04/819870104.db2.gz SEFLLBSWZBIWBI-UHFFFAOYSA-N 1 3 256.393 3.306 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C1 ZINC000651808197 398290620 /nfs/dbraw/zinc/29/06/20/398290620.db2.gz ISRILVZYJCZORV-PMPSAXMXSA-N 1 3 250.430 3.051 20 30 CGEDHO CC(C)NCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000591577300 346929357 /nfs/dbraw/zinc/92/93/57/346929357.db2.gz NOWRMJJYSYZOBN-UHFFFAOYSA-N 1 3 299.462 3.368 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000623657410 349860090 /nfs/dbraw/zinc/86/00/90/349860090.db2.gz QBDVMVUARQMYRO-BZUAXINKSA-N 1 3 250.430 3.053 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1(N)CCCC1 ZINC000596649344 347497942 /nfs/dbraw/zinc/49/79/42/347497942.db2.gz ZADZXMXAMDKHLR-KRWDZBQOSA-N 1 3 283.419 3.187 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1(N)CCCC1 ZINC000596649352 347498022 /nfs/dbraw/zinc/49/80/22/347498022.db2.gz ZADZXMXAMDKHLR-QGZVFWFLSA-N 1 3 283.419 3.187 20 30 CGEDHO CC1CC[NH+](CCCCNCc2cccc(C#N)c2)CC1 ZINC000067691284 369725552 /nfs/dbraw/zinc/72/55/52/369725552.db2.gz OCVFIRNVZPYHDR-UHFFFAOYSA-N 1 3 285.435 3.160 20 30 CGEDHO N#Cc1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423097123 371961557 /nfs/dbraw/zinc/96/15/57/371961557.db2.gz ISAOYCHZLKONFF-GBESFXJTSA-N 1 3 297.446 3.001 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000579915274 378207435 /nfs/dbraw/zinc/20/74/35/378207435.db2.gz PPKVXDBNQBHEML-JKSUJKDBSA-N 1 3 252.446 3.441 20 30 CGEDHO CC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(C#N)cc1 ZINC000278631542 194076969 /nfs/dbraw/zinc/07/69/69/194076969.db2.gz GYLHVTVMYAEQLM-KURKYZTESA-N 1 3 285.435 3.472 20 30 CGEDHO C[N@@H+]1CC[C@@H](NCC(C)(C)CC#N)C[C@H]1c1ccccc1 ZINC000414163400 380194935 /nfs/dbraw/zinc/19/49/35/380194935.db2.gz IMVHDDONCJDZAU-SJORKVTESA-N 1 3 285.435 3.351 20 30 CGEDHO C[N@H+]1CC[C@@H](NCC(C)(C)CC#N)C[C@H]1c1ccccc1 ZINC000414163400 380194942 /nfs/dbraw/zinc/19/49/42/380194942.db2.gz IMVHDDONCJDZAU-SJORKVTESA-N 1 3 285.435 3.351 20 30 CGEDHO CC(C)(C#N)CCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174876677 392647473 /nfs/dbraw/zinc/64/74/73/392647473.db2.gz FRIJQLVMDOSXDT-MRXNPFEDSA-N 1 3 277.456 3.124 20 30 CGEDHO CC(C)(C#N)CCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000174876677 392647477 /nfs/dbraw/zinc/64/74/77/392647477.db2.gz FRIJQLVMDOSXDT-MRXNPFEDSA-N 1 3 277.456 3.124 20 30 CGEDHO CC(C)(C#N)CCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000174876677 392647481 /nfs/dbraw/zinc/64/74/81/392647481.db2.gz FRIJQLVMDOSXDT-MRXNPFEDSA-N 1 3 277.456 3.124 20 30 CGEDHO C=CCC1(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCCC1 ZINC000449605127 393918207 /nfs/dbraw/zinc/91/82/07/393918207.db2.gz MCFMXMKHHMCURA-HZPDHXFCSA-N 1 3 262.441 3.339 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000678698228 543549598 /nfs/dbraw/zinc/54/95/98/543549598.db2.gz NJUFRHCJAXQUPZ-ARFHVFGLSA-N 1 3 250.430 3.338 20 30 CGEDHO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)CN1CCCCC1 ZINC000038041727 174043279 /nfs/dbraw/zinc/04/32/79/174043279.db2.gz GCBCZNYVSYKEIN-HZPDHXFCSA-N 1 3 285.435 3.331 20 30 CGEDHO C=CCCCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679389 419182446 /nfs/dbraw/zinc/18/24/46/419182446.db2.gz OXDLPITZTARGKM-UHFFFAOYSA-N 1 3 258.409 3.207 20 30 CGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000657824383 419372272 /nfs/dbraw/zinc/37/22/72/419372272.db2.gz QHZBGBSJAJIHOK-CVEARBPZSA-N 1 3 250.430 3.197 20 30 CGEDHO CC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000423282096 288066489 /nfs/dbraw/zinc/06/64/89/288066489.db2.gz UVXMDHCSEPBYTE-YESZJQIVSA-N 1 3 271.408 3.116 20 30 CGEDHO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000537049249 330394771 /nfs/dbraw/zinc/39/47/71/330394771.db2.gz YGWRMGMJXCFIJR-WBVHZDCISA-N 1 3 264.457 3.395 20 30 CGEDHO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000537049249 330394772 /nfs/dbraw/zinc/39/47/72/330394772.db2.gz YGWRMGMJXCFIJR-WBVHZDCISA-N 1 3 264.457 3.395 20 30 CGEDHO C=CCCC[C@@H](C)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000537049249 330394773 /nfs/dbraw/zinc/39/47/73/330394773.db2.gz YGWRMGMJXCFIJR-WBVHZDCISA-N 1 3 264.457 3.395 20 30 CGEDHO C=CCCC[C@@H](C)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000537049249 330394774 /nfs/dbraw/zinc/39/47/74/330394774.db2.gz YGWRMGMJXCFIJR-WBVHZDCISA-N 1 3 264.457 3.395 20 30 CGEDHO N#C[C@@H]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000442653086 330778217 /nfs/dbraw/zinc/77/82/17/330778217.db2.gz QXFJUMQULLIYBW-MOPGFXCFSA-N 1 3 297.446 3.454 20 30 CGEDHO CC#CCCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000482166052 331826373 /nfs/dbraw/zinc/82/63/73/331826373.db2.gz SSQGEHIQHHXYHL-WBVHZDCISA-N 1 3 262.441 3.033 20 30 CGEDHO C=C(C)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309980509 333052312 /nfs/dbraw/zinc/05/23/12/333052312.db2.gz URLYCHYBZKQBOC-ROUUACIJSA-N 1 3 270.420 3.016 20 30 CGEDHO C=C(C)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309980509 333052313 /nfs/dbraw/zinc/05/23/13/333052313.db2.gz URLYCHYBZKQBOC-ROUUACIJSA-N 1 3 270.420 3.016 20 30 CGEDHO C=CCCCCCN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000193364037 333248644 /nfs/dbraw/zinc/24/86/44/333248644.db2.gz JZHDKVLNMHKONJ-INIZCTEOSA-N 1 3 252.446 3.397 20 30 CGEDHO C=CCCCCC[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000193364037 333248646 /nfs/dbraw/zinc/24/86/46/333248646.db2.gz JZHDKVLNMHKONJ-INIZCTEOSA-N 1 3 252.446 3.397 20 30 CGEDHO C=CCCCCC[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000193364037 333248648 /nfs/dbraw/zinc/24/86/48/333248648.db2.gz JZHDKVLNMHKONJ-INIZCTEOSA-N 1 3 252.446 3.397 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000249052851 334325939 /nfs/dbraw/zinc/32/59/39/334325939.db2.gz XZSATMDYQDJBLM-YYIAUSFCSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000249052851 334325941 /nfs/dbraw/zinc/32/59/41/334325941.db2.gz XZSATMDYQDJBLM-YYIAUSFCSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000249052851 334325942 /nfs/dbraw/zinc/32/59/42/334325942.db2.gz XZSATMDYQDJBLM-YYIAUSFCSA-N 1 3 277.456 3.026 20 30 CGEDHO C=CCOc1ccccc1CN1CCC(C[NH2+]CC)CC1 ZINC000347216161 526931740 /nfs/dbraw/zinc/93/17/40/526931740.db2.gz RCFIWSCJNKVGMY-UHFFFAOYSA-N 1 3 288.435 3.073 20 30 CGEDHO N#CC1(CCCC[N@H+]2CCCC[C@@H]2CCN)CCC1 ZINC000903749163 621799854 /nfs/dbraw/zinc/79/98/54/621799854.db2.gz GMSOGXKDOVAVTH-OAHLLOKOSA-N 1 3 263.429 3.054 20 30 CGEDHO N#CC1(CCCC[N@@H+]2CCCC[C@@H]2CCN)CCC1 ZINC000903749163 621799856 /nfs/dbraw/zinc/79/98/56/621799856.db2.gz GMSOGXKDOVAVTH-OAHLLOKOSA-N 1 3 263.429 3.054 20 30 CGEDHO N#CC1(CCCCN2CCCC[C@@H]2CC[NH3+])CCC1 ZINC000903749163 621799860 /nfs/dbraw/zinc/79/98/60/621799860.db2.gz GMSOGXKDOVAVTH-OAHLLOKOSA-N 1 3 263.429 3.054 20 30 CGEDHO N#CC1CCC(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000929720053 623529010 /nfs/dbraw/zinc/52/90/10/623529010.db2.gz UKKZIIBUGIFIDF-DAWZGUTISA-N 1 3 289.467 3.124 20 30 CGEDHO N#CC1CCC(C[N@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000929720053 623529022 /nfs/dbraw/zinc/52/90/22/623529022.db2.gz UKKZIIBUGIFIDF-DAWZGUTISA-N 1 3 289.467 3.124 20 30 CGEDHO CC1([NH+]2CCCC2)CCC(NCc2ccc(C#N)o2)CC1 ZINC000922508837 626010136 /nfs/dbraw/zinc/01/01/36/626010136.db2.gz BQJLFCDWVGNEDC-UHFFFAOYSA-N 1 3 287.407 3.038 20 30 CGEDHO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000863543087 629602576 /nfs/dbraw/zinc/60/25/76/629602576.db2.gz VOVORZYPMASCPQ-HUUCEWRRSA-N 1 3 250.430 3.386 20 30 CGEDHO C#C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000809684419 630780055 /nfs/dbraw/zinc/78/00/55/630780055.db2.gz BEYMDRCHAPJCQL-WDSOQIARSA-N 1 3 284.447 3.144 20 30 CGEDHO C#C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000809684419 630780057 /nfs/dbraw/zinc/78/00/57/630780057.db2.gz BEYMDRCHAPJCQL-WDSOQIARSA-N 1 3 284.447 3.144 20 30 CGEDHO C=CC[C@H](C)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000878668508 635599177 /nfs/dbraw/zinc/59/91/77/635599177.db2.gz XZYQVJFCIKFGOI-HNNXBMFYSA-N 1 3 258.409 3.205 20 30 CGEDHO CC(C)CCN1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000926625216 638791757 /nfs/dbraw/zinc/79/17/57/638791757.db2.gz BSJZGPNHUDSUTO-UHFFFAOYSA-N 1 3 299.462 3.353 20 30 CGEDHO C#C[C@@H](CC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716721314 800178432 /nfs/dbraw/zinc/17/84/32/800178432.db2.gz ZXZINZVTJHSOKR-VJANTYMQSA-N 1 3 282.431 3.041 20 30 CGEDHO C=CCCCCCC[C@@H](O)CNC[C@]1(C)CCCC[NH2+]C1 ZINC001245995708 804094751 /nfs/dbraw/zinc/09/47/51/804094751.db2.gz UEPVIOKPTNDLLG-QZTJIDSGSA-N 1 3 296.499 3.243 20 30 CGEDHO CCCCCCC[C@@H](CCC)[NH2+][C@@]1(CCO)CCNC1 ZINC001246292412 804262308 /nfs/dbraw/zinc/26/23/08/804262308.db2.gz JPBUIPVMHAXKOF-IAGOWNOFSA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCC[C@H](CC(C)C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246588955 804431589 /nfs/dbraw/zinc/43/15/89/804431589.db2.gz YFQVDJZCXQRFDP-GVDBMIGSSA-N 1 3 284.488 3.013 20 30 CGEDHO CCCCCCC[C@H](CC(C)C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246588955 804431594 /nfs/dbraw/zinc/43/15/94/804431594.db2.gz YFQVDJZCXQRFDP-GVDBMIGSSA-N 1 3 284.488 3.013 20 30 CGEDHO CCCCCCC[C@H](CC)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947481 804613766 /nfs/dbraw/zinc/61/37/66/804613766.db2.gz KRROFMMTQJRCBX-CAOSSQGBSA-N 1 3 252.446 3.275 20 30 CGEDHO N#C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167965656 807288784 /nfs/dbraw/zinc/28/87/84/807288784.db2.gz JLIHUPTVIMJYKI-UBZVNHDXSA-N 1 3 287.451 3.064 20 30 CGEDHO CC1(C)CC(N)CC(C)(C)[NH+]1C1CCC(C)(C#N)CC1 ZINC001173585989 808646527 /nfs/dbraw/zinc/64/65/27/808646527.db2.gz BMUVTIAEXNOFBO-UHFFFAOYSA-N 1 3 277.456 3.439 20 30 CGEDHO C=CCCCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001195537015 811264483 /nfs/dbraw/zinc/26/44/83/811264483.db2.gz UOZJDTZOUHTJRK-UHFFFAOYSA-N 1 3 273.424 3.340 20 30 CGEDHO C=CCCCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC001195537015 811264489 /nfs/dbraw/zinc/26/44/89/811264489.db2.gz UOZJDTZOUHTJRK-UHFFFAOYSA-N 1 3 273.424 3.340 20 30 CGEDHO C=CCCCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209164181 813955222 /nfs/dbraw/zinc/95/52/22/813955222.db2.gz UINCKMVOFJTCSV-RBUKOAKNSA-N 1 3 284.447 3.407 20 30 CGEDHO C=CCCCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209164181 813955226 /nfs/dbraw/zinc/95/52/26/813955226.db2.gz UINCKMVOFJTCSV-RBUKOAKNSA-N 1 3 284.447 3.407 20 30 CGEDHO C=CCCCCCC[N@@H+](CCOCC)C1CCNCC1 ZINC001236459936 819485837 /nfs/dbraw/zinc/48/58/37/819485837.db2.gz IHMFGRPVUMUZIG-UHFFFAOYSA-N 1 3 282.472 3.213 20 30 CGEDHO C=CCCCCCC[N@H+](CCOCC)C1CCNCC1 ZINC001236459936 819485839 /nfs/dbraw/zinc/48/58/39/819485839.db2.gz IHMFGRPVUMUZIG-UHFFFAOYSA-N 1 3 282.472 3.213 20 30 CGEDHO C=CCCCCCCN(CCOCC)C1CC[NH2+]CC1 ZINC001236459936 819485846 /nfs/dbraw/zinc/48/58/46/819485846.db2.gz IHMFGRPVUMUZIG-UHFFFAOYSA-N 1 3 282.472 3.213 20 30 CGEDHO Cc1nc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc2[nH]ccc21 ZINC001240343565 820980013 /nfs/dbraw/zinc/98/00/13/820980013.db2.gz QINFZLBAWGSXJP-UHFFFAOYSA-N 1 3 288.354 3.097 20 30 CGEDHO C[C@@H](CCCC#N)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001172486136 928223873 /nfs/dbraw/zinc/22/38/73/928223873.db2.gz ZFLVWOQUYZCNRS-ZDUSSCGKSA-N 1 3 265.445 3.310 20 30 CGEDHO Cc1cc(C#N)ccc1CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001579553778 962641753 /nfs/dbraw/zinc/64/17/53/962641753.db2.gz BLVSFDARXXIMFQ-GOSISDBHSA-N 1 3 285.435 3.064 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1 ZINC000651706049 398272073 /nfs/dbraw/zinc/27/20/73/398272073.db2.gz QGWFMFPCKFONEL-IXDOHACOSA-N 1 3 264.457 3.441 20 30 CGEDHO C[N@@H+]1C[C@@H](CN[C@H]2CCC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404324 346985117 /nfs/dbraw/zinc/98/51/17/346985117.db2.gz XMFXXROJZBEGEP-YSHGAJCASA-N 1 3 297.446 3.004 20 30 CGEDHO C[N@H+]1C[C@@H](CN[C@H]2CCC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404324 346985119 /nfs/dbraw/zinc/98/51/19/346985119.db2.gz XMFXXROJZBEGEP-YSHGAJCASA-N 1 3 297.446 3.004 20 30 CGEDHO C=CC1CCN(C/C=C\C[NH+]2CCC(C=C)CC2)CC1 ZINC000255870390 346398201 /nfs/dbraw/zinc/39/82/01/346398201.db2.gz DZNNKMQJLYGVEO-WAYWQWQTSA-N 1 3 274.452 3.339 20 30 CGEDHO N#CCCC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000594584533 347195642 /nfs/dbraw/zinc/19/56/42/347195642.db2.gz TVZFUTAQRREBRQ-ULQDDVLXSA-N 1 3 271.408 3.281 20 30 CGEDHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc(C#N)cc1 ZINC000596649681 347497897 /nfs/dbraw/zinc/49/78/97/347497897.db2.gz FBGLWSHHYPRNLB-YJBOKZPZSA-N 1 3 285.435 3.001 20 30 CGEDHO C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)CN1CCCC1 ZINC000611391134 348444619 /nfs/dbraw/zinc/44/46/19/348444619.db2.gz UUKZGRUPNLKLIE-DNVCBOLYSA-N 1 3 297.446 3.257 20 30 CGEDHO C=CC[C@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000628405841 350530056 /nfs/dbraw/zinc/53/00/56/350530056.db2.gz WAQMISMQQHYCNA-INIZCTEOSA-N 1 3 288.435 3.025 20 30 CGEDHO C=CC[C@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000628405841 350530058 /nfs/dbraw/zinc/53/00/58/350530058.db2.gz WAQMISMQQHYCNA-INIZCTEOSA-N 1 3 288.435 3.025 20 30 CGEDHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000414188606 235359245 /nfs/dbraw/zinc/35/92/45/235359245.db2.gz QMGOQRPCEUFHNG-KGLIPLIRSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000414188606 235359248 /nfs/dbraw/zinc/35/92/48/235359248.db2.gz QMGOQRPCEUFHNG-KGLIPLIRSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(-c2ccccc2C#N)cc1 ZINC000423014003 371916914 /nfs/dbraw/zinc/91/69/14/371916914.db2.gz HGDMLPDWNVJPGF-LSDHHAIUSA-N 1 3 293.414 3.441 20 30 CGEDHO N#Cc1ccc(CNCCCCC[NH+]2CCCC2)c(F)c1 ZINC000292942348 372255862 /nfs/dbraw/zinc/25/58/62/372255862.db2.gz HXYOMEDQWISWBX-UHFFFAOYSA-N 1 3 289.398 3.053 20 30 CGEDHO N#C[C@H]1CC[C@H](NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000442636029 373061809 /nfs/dbraw/zinc/06/18/09/373061809.db2.gz RNFANJYHRDWXNC-IRXDYDNUSA-N 1 3 289.467 3.457 20 30 CGEDHO C[C@H](CCN[C@H]1CC[C@@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000442767073 373075756 /nfs/dbraw/zinc/07/57/56/373075756.db2.gz LZBGCHAMSNZNBK-NXHRZFHOSA-N 1 3 285.435 3.179 20 30 CGEDHO C[C@H](CCN[C@H]1CC[C@@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000442767073 373075759 /nfs/dbraw/zinc/07/57/59/373075759.db2.gz LZBGCHAMSNZNBK-NXHRZFHOSA-N 1 3 285.435 3.179 20 30 CGEDHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000248713488 377385586 /nfs/dbraw/zinc/38/55/86/377385586.db2.gz BOUUWYXAQLWJJJ-CRAIPNDOSA-N 1 3 285.435 3.310 20 30 CGEDHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000248713488 377385592 /nfs/dbraw/zinc/38/55/92/377385592.db2.gz BOUUWYXAQLWJJJ-CRAIPNDOSA-N 1 3 285.435 3.310 20 30 CGEDHO C=C(C[NH2+]C1CCN(C(C)C)CC1)c1ccccc1 ZINC000268820100 378122663 /nfs/dbraw/zinc/12/26/63/378122663.db2.gz LPXJVXTVFHTLOW-UHFFFAOYSA-N 1 3 258.409 3.162 20 30 CGEDHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271963444 378531573 /nfs/dbraw/zinc/53/15/73/378531573.db2.gz UVLATAHSHYTPKY-AWEZNQCLSA-N 1 3 289.398 3.224 20 30 CGEDHO C=CC[N@H+](CC1CCCCC1)C[C@H]1CCCNC1 ZINC000346982254 378702423 /nfs/dbraw/zinc/70/24/23/378702423.db2.gz NSPFRYQFFVRHOR-INIZCTEOSA-N 1 3 250.430 3.054 20 30 CGEDHO C=CC[N@@H+](CC1CCCCC1)C[C@H]1CCCNC1 ZINC000346982254 378702424 /nfs/dbraw/zinc/70/24/24/378702424.db2.gz NSPFRYQFFVRHOR-INIZCTEOSA-N 1 3 250.430 3.054 20 30 CGEDHO C=CCN(CC1CCCCC1)C[C@H]1CCC[NH2+]C1 ZINC000346982254 378702429 /nfs/dbraw/zinc/70/24/29/378702429.db2.gz NSPFRYQFFVRHOR-INIZCTEOSA-N 1 3 250.430 3.054 20 30 CGEDHO N#C[C@H]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000349824057 379401744 /nfs/dbraw/zinc/40/17/44/379401744.db2.gz XNRPTSDPSRZKDE-LPHOPBHVSA-N 1 3 297.446 3.454 20 30 CGEDHO C=CCN(CC[C@H]1CCC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000420301673 380846003 /nfs/dbraw/zinc/84/60/03/380846003.db2.gz ISYVYJHSQLAUAK-MRXNPFEDSA-N 1 3 288.435 3.073 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2cc(C)c(O)c(C)c2)CC1 ZINC000290348027 392445433 /nfs/dbraw/zinc/44/54/33/392445433.db2.gz LSZQVGZVFVFXAN-UHFFFAOYSA-N 1 3 288.435 3.139 20 30 CGEDHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCN1 ZINC000423393544 393665197 /nfs/dbraw/zinc/66/51/97/393665197.db2.gz YSHMJTJHBWBREA-SKDZVZGDSA-N 1 3 283.419 3.056 20 30 CGEDHO C=C(C)CN(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679360386 543629085 /nfs/dbraw/zinc/62/90/85/543629085.db2.gz PIHRRBBKWDZXLS-UHFFFAOYSA-N 1 3 288.435 3.169 20 30 CGEDHO C=CCC[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000658116702 419591534 /nfs/dbraw/zinc/59/15/34/419591534.db2.gz NRSFUZIJVMODAY-HOCLYGCPSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000658116702 419591540 /nfs/dbraw/zinc/59/15/40/419591540.db2.gz NRSFUZIJVMODAY-HOCLYGCPSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CC1 ZINC000663469478 419621396 /nfs/dbraw/zinc/62/13/96/419621396.db2.gz PORMNSULSPDLMV-WMZOPIPTSA-N 1 3 276.468 3.443 20 30 CGEDHO C=CCOCCC[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000658210925 419661841 /nfs/dbraw/zinc/66/18/41/419661841.db2.gz YTCZOQDZPPERQA-WMZOPIPTSA-N 1 3 294.483 3.212 20 30 CGEDHO C=CCOCCCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000658210925 419661847 /nfs/dbraw/zinc/66/18/47/419661847.db2.gz YTCZOQDZPPERQA-WMZOPIPTSA-N 1 3 294.483 3.212 20 30 CGEDHO C=CCN(Cc1ccccc1F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414691087 263032744 /nfs/dbraw/zinc/03/27/44/263032744.db2.gz NZSHZMWDQHFQHL-HUUCEWRRSA-N 1 3 276.399 3.202 20 30 CGEDHO C=CCCOCCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317157 263110296 /nfs/dbraw/zinc/11/02/96/263110296.db2.gz UEXGSNVYWKHDNE-ZWKOTPCHSA-N 1 3 288.435 3.004 20 30 CGEDHO C=CCCOCCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317157 263110297 /nfs/dbraw/zinc/11/02/97/263110297.db2.gz UEXGSNVYWKHDNE-ZWKOTPCHSA-N 1 3 288.435 3.004 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](C[NH3+])C1CCCC1 ZINC000423494779 303201348 /nfs/dbraw/zinc/20/13/48/303201348.db2.gz BAHLEVQONGFPRZ-MOPGFXCFSA-N 1 3 297.446 3.433 20 30 CGEDHO C=CCCCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000560187125 327288976 /nfs/dbraw/zinc/28/89/76/327288976.db2.gz MHQTUUINIBSVFC-CALCHBBNSA-N 1 3 294.483 3.164 20 30 CGEDHO C=CCC[C@H](CC)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000246909747 327444541 /nfs/dbraw/zinc/44/45/41/327444541.db2.gz FVCNEOFYCHCRJT-ULQDDVLXSA-N 1 3 282.472 3.210 20 30 CGEDHO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423025201 330165916 /nfs/dbraw/zinc/16/59/16/330165916.db2.gz LBQDOMZGYVBMOZ-STQMWFEESA-N 1 3 261.413 3.244 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423528148 330210190 /nfs/dbraw/zinc/21/01/90/330210190.db2.gz NEJFLJGATJUYGY-RYQLBKOJSA-N 1 3 272.436 3.467 20 30 CGEDHO CC#CCCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000462318968 331319384 /nfs/dbraw/zinc/31/93/84/331319384.db2.gz ZKIOXYYRHOJARZ-FQEVSTJZSA-N 1 3 296.458 3.388 20 30 CGEDHO CC#CCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000462318968 331319385 /nfs/dbraw/zinc/31/93/85/331319385.db2.gz ZKIOXYYRHOJARZ-FQEVSTJZSA-N 1 3 296.458 3.388 20 30 CGEDHO CC1CC[NH+](CCCCNCC#Cc2ccccc2)CC1 ZINC000892588964 618868620 /nfs/dbraw/zinc/86/86/20/618868620.db2.gz MCRCUURRXCNVFD-UHFFFAOYSA-N 1 3 284.447 3.140 20 30 CGEDHO C=C1CCC(C[NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000925835547 619287075 /nfs/dbraw/zinc/28/70/75/619287075.db2.gz RCFRDNOYCWZKAZ-CYBMUJFWSA-N 1 3 273.424 3.246 20 30 CGEDHO C#Cc1ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000809618909 630763495 /nfs/dbraw/zinc/76/34/95/630763495.db2.gz RQZFVCRJBQSBLO-QGZVFWFLSA-N 1 3 272.436 3.124 20 30 CGEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000817977669 632268459 /nfs/dbraw/zinc/26/84/59/632268459.db2.gz NPXQAKQFROLCHU-XQQFMLRXSA-N 1 3 282.815 3.204 20 30 CGEDHO C#CCCCCCCN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000876771806 634896717 /nfs/dbraw/zinc/89/67/17/634896717.db2.gz ZHOPZTWTPHAWSV-KRWDZBQOSA-N 1 3 264.457 3.234 20 30 CGEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000848541306 636597385 /nfs/dbraw/zinc/59/73/85/636597385.db2.gz WMMQABXARYTXOR-QZTJIDSGSA-N 1 3 299.462 3.450 20 30 CGEDHO C=CCCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925639445 638552973 /nfs/dbraw/zinc/55/29/73/638552973.db2.gz BUVOMVOEAAPXGF-CVEARBPZSA-N 1 3 250.430 3.101 20 30 CGEDHO CC(C)CCN1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000926427102 638770672 /nfs/dbraw/zinc/77/06/72/638770672.db2.gz VOLGTVNLYZBBHW-UHFFFAOYSA-N 1 3 279.472 3.416 20 30 CGEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000929848345 638956931 /nfs/dbraw/zinc/95/69/31/638956931.db2.gz QYYFJZVXULXCBR-MJGOQNOKSA-N 1 3 297.446 3.091 20 30 CGEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000929848345 638956933 /nfs/dbraw/zinc/95/69/33/638956933.db2.gz QYYFJZVXULXCBR-MJGOQNOKSA-N 1 3 297.446 3.091 20 30 CGEDHO C#C[C@@](C)(CC)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255393807 806633144 /nfs/dbraw/zinc/63/31/44/806633144.db2.gz RKDJKZWTBUNUFK-OALUTQOASA-N 1 3 284.447 3.433 20 30 CGEDHO C#C[C@@](C)(CC)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393807 806633147 /nfs/dbraw/zinc/63/31/47/806633147.db2.gz RKDJKZWTBUNUFK-OALUTQOASA-N 1 3 284.447 3.433 20 30 CGEDHO CCCCCCCC[C@H](O)CNCC[C@@H]1CCCC[NH2+]1 ZINC001246002189 804097242 /nfs/dbraw/zinc/09/72/42/804097242.db2.gz NNEBZCNNPDBNJF-IRXDYDNUSA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCC[C@@H](C)[NH2+][C@]1(CC(=O)OCC)CCNC1 ZINC001246133763 804158795 /nfs/dbraw/zinc/15/87/95/804158795.db2.gz VPWKMXRUWUDLKX-WBVHZDCISA-N 1 3 298.471 3.010 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CCC(F)(F)[C@@H](CN)C3)C[C@H](C1)C2 ZINC001246562633 804411803 /nfs/dbraw/zinc/41/18/03/804411803.db2.gz YZDZIJOKYQDDCT-MBOZISHXSA-N 1 3 284.394 3.037 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CCC(F)(F)[C@@H](CN)C3)C[C@H](C1)C2 ZINC001246562633 804411807 /nfs/dbraw/zinc/41/18/07/804411807.db2.gz YZDZIJOKYQDDCT-MBOZISHXSA-N 1 3 284.394 3.037 20 30 CGEDHO C=C1C[C@@H]2CC(N3CCC(F)(F)[C@@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001246562633 804411812 /nfs/dbraw/zinc/41/18/12/804411812.db2.gz YZDZIJOKYQDDCT-MBOZISHXSA-N 1 3 284.394 3.037 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CCC[C@@H](CN)[C@@H]3C)C[C@H](C1)C2 ZINC001246568146 804414863 /nfs/dbraw/zinc/41/48/63/804414863.db2.gz ZQZPKOCSVQNEPI-CLYSKQOPSA-N 1 3 262.441 3.181 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](CN)[C@@H]3C)C[C@H](C1)C2 ZINC001246568146 804414855 /nfs/dbraw/zinc/41/48/55/804414855.db2.gz ZQZPKOCSVQNEPI-CLYSKQOPSA-N 1 3 262.441 3.181 20 30 CGEDHO CCCCCCCCCC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246585081 804427545 /nfs/dbraw/zinc/42/75/45/804427545.db2.gz MWPSTGXPMPGUJN-YESZJQIVSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCCCCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246585081 804427548 /nfs/dbraw/zinc/42/75/48/804427548.db2.gz MWPSTGXPMPGUJN-YESZJQIVSA-N 1 3 284.488 3.157 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@]4(C3)CNCC[C@@H]4F)C[C@H](C1)C2 ZINC001246697166 804498601 /nfs/dbraw/zinc/49/86/01/804498601.db2.gz WEPQFDNNGFWIHR-VQTPCSAVSA-N 1 3 292.442 3.145 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@]4(C3)CNCC[C@@H]4F)C[C@H](C1)C2 ZINC001246697166 804498602 /nfs/dbraw/zinc/49/86/02/804498602.db2.gz WEPQFDNNGFWIHR-VQTPCSAVSA-N 1 3 292.442 3.145 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@@]4(C3)CNCC[C@@H]4F)C[C@H](C1)C2 ZINC001246697162 804499749 /nfs/dbraw/zinc/49/97/49/804499749.db2.gz WEPQFDNNGFWIHR-MPBYHJMHSA-N 1 3 292.442 3.145 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@@]4(C3)CNCC[C@@H]4F)C[C@H](C1)C2 ZINC001246697162 804499753 /nfs/dbraw/zinc/49/97/53/804499753.db2.gz WEPQFDNNGFWIHR-MPBYHJMHSA-N 1 3 292.442 3.145 20 30 CGEDHO C(#CC1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)c1ccccc1 ZINC001246924853 804603734 /nfs/dbraw/zinc/60/37/34/804603734.db2.gz UGQUKCGYVRTKDH-YOFSQIOKSA-N 1 3 294.442 3.033 20 30 CGEDHO C=CC[N@H+](C1CCCCC1)[C@@H]1CCNC(C)(C)C1 ZINC001246944250 804612423 /nfs/dbraw/zinc/61/24/23/804612423.db2.gz BMZMAGCUYSOMCZ-OAHLLOKOSA-N 1 3 250.430 3.338 20 30 CGEDHO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCNC(C)(C)C1 ZINC001246944250 804612427 /nfs/dbraw/zinc/61/24/27/804612427.db2.gz BMZMAGCUYSOMCZ-OAHLLOKOSA-N 1 3 250.430 3.338 20 30 CGEDHO C=CCC[C@@H](C)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001258733571 807579730 /nfs/dbraw/zinc/57/97/30/807579730.db2.gz IXUVWJIONQTWJW-OAHLLOKOSA-N 1 3 250.430 3.291 20 30 CGEDHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001172108688 808176451 /nfs/dbraw/zinc/17/64/51/808176451.db2.gz YBTOADAJUIGSLS-XDKFSHSGSA-N 1 3 283.419 3.224 20 30 CGEDHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001172108688 808176455 /nfs/dbraw/zinc/17/64/55/808176455.db2.gz YBTOADAJUIGSLS-XDKFSHSGSA-N 1 3 283.419 3.224 20 30 CGEDHO C[C@H](CCCC#N)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172494275 808354048 /nfs/dbraw/zinc/35/40/48/808354048.db2.gz YIOVHCNRNIBJQM-MRXNPFEDSA-N 1 3 285.435 3.105 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CN(CC)C[C@H]3C2)CC1 ZINC001208179053 813730776 /nfs/dbraw/zinc/73/07/76/813730776.db2.gz KNFKDEDWJVVMNY-KURKYZTESA-N 1 3 274.452 3.173 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CN(CC)C[C@H]3C2)CC1 ZINC001208179053 813730779 /nfs/dbraw/zinc/73/07/79/813730779.db2.gz KNFKDEDWJVVMNY-KURKYZTESA-N 1 3 274.452 3.173 20 30 CGEDHO N#CC1(CCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)CCCCC1 ZINC001580039038 962686327 /nfs/dbraw/zinc/68/63/27/962686327.db2.gz YITQRQLWILBMPC-IRXDYDNUSA-N 1 3 289.467 3.315 20 30 CGEDHO C[C@@H](CCC#N)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000591011323 346894437 /nfs/dbraw/zinc/89/44/37/346894437.db2.gz PZBIQOSURCWBAK-INIZCTEOSA-N 1 3 277.456 3.267 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000591582574 346930079 /nfs/dbraw/zinc/93/00/79/346930079.db2.gz MCPQRVOZNAHFMV-FUHWJXTLSA-N 1 3 295.430 3.200 20 30 CGEDHO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000561983385 346659675 /nfs/dbraw/zinc/65/96/75/346659675.db2.gz UWMAKAHVCLESAX-QAPCUYQASA-N 1 3 288.435 3.023 20 30 CGEDHO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000561983385 346659677 /nfs/dbraw/zinc/65/96/77/346659677.db2.gz UWMAKAHVCLESAX-QAPCUYQASA-N 1 3 288.435 3.023 20 30 CGEDHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(C#N)cc1 ZINC000599071995 347714698 /nfs/dbraw/zinc/71/46/98/347714698.db2.gz WBBZOIPBZCJGNO-FUHWJXTLSA-N 1 3 285.435 3.331 20 30 CGEDHO C[C@@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1ccc(C#N)cc1 ZINC000602020476 347933858 /nfs/dbraw/zinc/93/38/58/347933858.db2.gz MALWWUJUUGCOKR-DNVCBOLYSA-N 1 3 293.414 3.169 20 30 CGEDHO C[C@H](NCC[C@H]([NH3+])Cc1ccccc1)c1ccc(C#N)cc1 ZINC000602020478 347934294 /nfs/dbraw/zinc/93/42/94/347934294.db2.gz MALWWUJUUGCOKR-KXBFYZLASA-N 1 3 293.414 3.169 20 30 CGEDHO CC(C)CN1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602575269 347985521 /nfs/dbraw/zinc/98/55/21/347985521.db2.gz QVWQLZMPVYQVOP-CGZBRXJRSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000358430426 233131931 /nfs/dbraw/zinc/13/19/31/233131931.db2.gz HQTDKWONFDOCCY-ZDUSSCGKSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000181439048 189296675 /nfs/dbraw/zinc/29/66/75/189296675.db2.gz BROXWJWZCNZKCN-HNNXBMFYSA-N 1 3 293.414 3.471 20 30 CGEDHO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000423016332 371916709 /nfs/dbraw/zinc/91/67/09/371916709.db2.gz MGAMSFZVWDSAKL-MOPGFXCFSA-N 1 3 291.398 3.195 20 30 CGEDHO CCCN1CC[C@H](C[NH2+][C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531266 373445793 /nfs/dbraw/zinc/44/57/93/373445793.db2.gz QNUSASIMSBUDSK-AEFFLSMTSA-N 1 3 285.435 3.331 20 30 CGEDHO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000180950257 374062629 /nfs/dbraw/zinc/06/26/29/374062629.db2.gz ZRFYSOFTVNGEHV-CABCVRRESA-N 1 3 276.424 3.242 20 30 CGEDHO CC(C)[N@H+](C)CC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000535811484 376063970 /nfs/dbraw/zinc/06/39/70/376063970.db2.gz SCVPFTNVEACRFK-UHFFFAOYSA-N 1 3 291.464 3.172 20 30 CGEDHO CC(C)[N@@H+](C)CC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000535811484 376063977 /nfs/dbraw/zinc/06/39/77/376063977.db2.gz SCVPFTNVEACRFK-UHFFFAOYSA-N 1 3 291.464 3.172 20 30 CGEDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CCC[C@H](C#N)C2)C1 ZINC000248921162 377428992 /nfs/dbraw/zinc/42/89/92/377428992.db2.gz WRHGDBDJPWCFNW-BBWFWOEESA-N 1 3 277.456 3.026 20 30 CGEDHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCC[C@H](C#N)C2)C1 ZINC000248921162 377429004 /nfs/dbraw/zinc/42/90/04/377429004.db2.gz WRHGDBDJPWCFNW-BBWFWOEESA-N 1 3 277.456 3.026 20 30 CGEDHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248921162 377429013 /nfs/dbraw/zinc/42/90/13/377429013.db2.gz WRHGDBDJPWCFNW-BBWFWOEESA-N 1 3 277.456 3.026 20 30 CGEDHO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000261631148 377828260 /nfs/dbraw/zinc/82/82/60/377828260.db2.gz VXJLUFWXXQMXDC-HRCADAONSA-N 1 3 264.457 3.489 20 30 CGEDHO C#CCCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000271325993 378489395 /nfs/dbraw/zinc/48/93/95/378489395.db2.gz KYRQKEMQFJTZJG-UHFFFAOYSA-N 1 3 285.435 3.033 20 30 CGEDHO C#CCCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000271325993 378489405 /nfs/dbraw/zinc/48/94/05/378489405.db2.gz KYRQKEMQFJTZJG-UHFFFAOYSA-N 1 3 285.435 3.033 20 30 CGEDHO CC[C@H](NC1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000278281339 379335554 /nfs/dbraw/zinc/33/55/54/379335554.db2.gz PXOOTZZFUXWEMR-KRWDZBQOSA-N 1 3 271.408 3.083 20 30 CGEDHO CC(C)CN1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353269423 393218201 /nfs/dbraw/zinc/21/82/01/393218201.db2.gz TVQIXAYUIOKGCE-IBGZPJMESA-N 1 3 297.446 3.256 20 30 CGEDHO C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000351717361 393194824 /nfs/dbraw/zinc/19/48/24/393194824.db2.gz DJAKHHYYJYBHNE-CABCVRRESA-N 1 3 250.430 3.195 20 30 CGEDHO C[C@@H]1C[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000360659595 393573342 /nfs/dbraw/zinc/57/33/42/393573342.db2.gz ZAHSTNSQRKFZIZ-LJHODMEESA-N 1 3 297.446 3.398 20 30 CGEDHO C[C@@H]1C[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000360659595 393573345 /nfs/dbraw/zinc/57/33/45/393573345.db2.gz ZAHSTNSQRKFZIZ-LJHODMEESA-N 1 3 297.446 3.398 20 30 CGEDHO CCN1CC[C@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839021 393595669 /nfs/dbraw/zinc/59/56/69/393595669.db2.gz WAFWRFIPPJZXFG-VQIMIIECSA-N 1 3 297.446 3.257 20 30 CGEDHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839021 393595673 /nfs/dbraw/zinc/59/56/73/393595673.db2.gz WAFWRFIPPJZXFG-VQIMIIECSA-N 1 3 297.446 3.257 20 30 CGEDHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839021 393595677 /nfs/dbraw/zinc/59/56/77/393595677.db2.gz WAFWRFIPPJZXFG-VQIMIIECSA-N 1 3 297.446 3.257 20 30 CGEDHO C=CCCC1(C[NH2+][C@H]2CCNCC[C@@H]2C)CCCC1 ZINC000665236429 419086787 /nfs/dbraw/zinc/08/67/87/419086787.db2.gz MOQGRKRMICHNDI-HOTGVXAUSA-N 1 3 264.457 3.491 20 30 CGEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000657824384 419372075 /nfs/dbraw/zinc/37/20/75/419372075.db2.gz QHZBGBSJAJIHOK-HOTGVXAUSA-N 1 3 250.430 3.197 20 30 CGEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(CCC)C1 ZINC000657844212 419386119 /nfs/dbraw/zinc/38/61/19/419386119.db2.gz HNXVDJBCYLTRDC-BRWVUGGUSA-N 1 3 264.457 3.443 20 30 CGEDHO C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000658114933 419587504 /nfs/dbraw/zinc/58/75/04/419587504.db2.gz SKTDYOFJMSABFP-CEXWTWQISA-N 1 3 284.447 3.453 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2ccc(CC)cc2)CC1 ZINC000106246157 260095388 /nfs/dbraw/zinc/09/53/88/260095388.db2.gz YCFDHFVJEUHPJE-UHFFFAOYSA-N 1 3 272.436 3.379 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000368564895 267186049 /nfs/dbraw/zinc/18/60/49/267186049.db2.gz XGUSFFSTHXGMKV-XHSDSOJGSA-N 1 3 250.430 3.338 20 30 CGEDHO C=C(C)CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000453307874 331114157 /nfs/dbraw/zinc/11/41/57/331114157.db2.gz CJCUQQXKYJXDJR-HNNXBMFYSA-N 1 3 276.424 3.244 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248894313 334321212 /nfs/dbraw/zinc/32/12/12/334321212.db2.gz SYRBQSILSUSYCC-YYIAUSFCSA-N 1 3 291.483 3.415 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248894313 334321213 /nfs/dbraw/zinc/32/12/13/334321213.db2.gz SYRBQSILSUSYCC-YYIAUSFCSA-N 1 3 291.483 3.415 20 30 CGEDHO C=CCCCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000568253039 334808833 /nfs/dbraw/zinc/80/88/33/334808833.db2.gz BUIGGXZGNFNKLM-UHFFFAOYSA-N 1 3 273.424 3.386 20 30 CGEDHO C=C(C)CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000381319114 336059105 /nfs/dbraw/zinc/05/91/05/336059105.db2.gz VOJAOCVRLYDRQI-GBESFXJTSA-N 1 3 284.447 3.453 20 30 CGEDHO C=CCOc1ccc(CN2CCC(C[NH2+]CC)CC2)cc1 ZINC000347173414 526865751 /nfs/dbraw/zinc/86/57/51/526865751.db2.gz OPANISWYXGDHDO-UHFFFAOYSA-N 1 3 288.435 3.073 20 30 CGEDHO C[C@@H](CN(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000895378534 619816443 /nfs/dbraw/zinc/81/64/43/619816443.db2.gz QVGAGRMWOCXXES-YJBOKZPZSA-N 1 3 285.435 3.110 20 30 CGEDHO C[C@@H](CN(C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000895378534 619816445 /nfs/dbraw/zinc/81/64/45/619816445.db2.gz QVGAGRMWOCXXES-YJBOKZPZSA-N 1 3 285.435 3.110 20 30 CGEDHO C#CCCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285576 635445814 /nfs/dbraw/zinc/44/58/14/635445814.db2.gz CFQPWWWPWZTEAP-WMZOPIPTSA-N 1 3 274.452 3.129 20 30 CGEDHO C#CCCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878285576 635445822 /nfs/dbraw/zinc/44/58/22/635445822.db2.gz CFQPWWWPWZTEAP-WMZOPIPTSA-N 1 3 274.452 3.129 20 30 CGEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000817964692 632260074 /nfs/dbraw/zinc/26/00/74/632260074.db2.gz FFUDZXPEGKKNJU-MLGOLLRUSA-N 1 3 294.826 3.206 20 30 CGEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000850172741 636972567 /nfs/dbraw/zinc/97/25/67/636972567.db2.gz DEIZCQZLPIMLAJ-ZWKOTPCHSA-N 1 3 297.446 3.204 20 30 CGEDHO CN1CCC[C@@H]([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001254516496 806435960 /nfs/dbraw/zinc/43/59/60/806435960.db2.gz NEMNXGKWUOWWLC-GOSISDBHSA-N 1 3 297.446 3.028 20 30 CGEDHO CN(Cc1ccc(C#N)cc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680342 806704215 /nfs/dbraw/zinc/70/42/15/806704215.db2.gz OQORWFMJIJLKJA-JWTNVVGKSA-N 1 3 283.419 3.005 20 30 CGEDHO CN(Cc1ccc(C#N)cc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680342 806704216 /nfs/dbraw/zinc/70/42/16/806704216.db2.gz OQORWFMJIJLKJA-JWTNVVGKSA-N 1 3 283.419 3.005 20 30 CGEDHO CC[C@@H](NC[C@H]1CCC[N@H+](CC)C1)c1ccc(C#N)cc1 ZINC001256026379 806807160 /nfs/dbraw/zinc/80/71/60/806807160.db2.gz SKGKJAVWLNNRFA-SJLPKXTDSA-N 1 3 285.435 3.331 20 30 CGEDHO CC[C@@H](NC[C@H]1CCC[N@@H+](CC)C1)c1ccc(C#N)cc1 ZINC001256026379 806807169 /nfs/dbraw/zinc/80/71/69/806807169.db2.gz SKGKJAVWLNNRFA-SJLPKXTDSA-N 1 3 285.435 3.331 20 30 CGEDHO CC[C@@H](NC[C@@H]1CCC[N@H+](CC)C1)c1ccc(C#N)cc1 ZINC001256026377 806807515 /nfs/dbraw/zinc/80/75/15/806807515.db2.gz SKGKJAVWLNNRFA-FUHWJXTLSA-N 1 3 285.435 3.331 20 30 CGEDHO CC[C@@H](NC[C@@H]1CCC[N@@H+](CC)C1)c1ccc(C#N)cc1 ZINC001256026377 806807523 /nfs/dbraw/zinc/80/75/23/806807523.db2.gz SKGKJAVWLNNRFA-FUHWJXTLSA-N 1 3 285.435 3.331 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@@H]([NH3+])c1ccccc1 ZINC001245996558 804095022 /nfs/dbraw/zinc/09/50/22/804095022.db2.gz VSQGAORGRXNDPB-ZWKOTPCHSA-N 1 3 292.467 3.388 20 30 CGEDHO C=CCCCCCC[C@H](O)CNC[C@@]1(C)CCCC[NH2+]C1 ZINC001245995715 804095377 /nfs/dbraw/zinc/09/53/77/804095377.db2.gz UEPVIOKPTNDLLG-ROUUACIJSA-N 1 3 296.499 3.243 20 30 CGEDHO CCCCCCCC[C@@H](O)CNC[C@]1(C)CCCC[NH2+]C1 ZINC001245990401 804095943 /nfs/dbraw/zinc/09/59/43/804095943.db2.gz IVXZYZXEHUZTRT-QZTJIDSGSA-N 1 3 298.515 3.467 20 30 CGEDHO CCCCCCCC[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC001246010321 804097058 /nfs/dbraw/zinc/09/70/58/804097058.db2.gz LLLNLCAFMGVSEC-GJZGRUSLSA-N 1 3 272.477 3.061 20 30 CGEDHO CCCCCCCC[C@@H](O)CN(CC)C[C@H]1CC[NH2+]C1 ZINC001246062578 804105042 /nfs/dbraw/zinc/10/50/42/804105042.db2.gz MNWMUXMMEHETFX-DLBZAZTESA-N 1 3 284.488 3.029 20 30 CGEDHO CCCCCCC[C@@H](CC)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246148311 804168522 /nfs/dbraw/zinc/16/85/22/804168522.db2.gz LUMANFVWSWNYDH-QXSJWSMHSA-N 1 3 252.446 3.323 20 30 CGEDHO CCCCCCC[C@H](CCC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246467164 804345449 /nfs/dbraw/zinc/34/54/49/804345449.db2.gz SRBCMVRHPZZNIU-BBWFWOEESA-N 1 3 284.488 3.482 20 30 CGEDHO C=CCC[N@H+](Cc1ccccc1)[C@H]1CCN[C@H](C)C1 ZINC001246799408 804522010 /nfs/dbraw/zinc/52/20/10/804522010.db2.gz ZDCMARMIRKNDGL-WBVHZDCISA-N 1 3 258.409 3.205 20 30 CGEDHO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCN[C@H](C)C1 ZINC001246799408 804522015 /nfs/dbraw/zinc/52/20/15/804522015.db2.gz ZDCMARMIRKNDGL-WBVHZDCISA-N 1 3 258.409 3.205 20 30 CGEDHO C=CCCN(Cc1ccccc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246799408 804522020 /nfs/dbraw/zinc/52/20/20/804522020.db2.gz ZDCMARMIRKNDGL-WBVHZDCISA-N 1 3 258.409 3.205 20 30 CGEDHO C=CC[N@H+](C1CCCCC1)[C@H]1CCNC2(CCC2)C1 ZINC001246948766 804616233 /nfs/dbraw/zinc/61/62/33/804616233.db2.gz LKBMUTOJGXGMBL-INIZCTEOSA-N 1 3 262.441 3.482 20 30 CGEDHO C=CC[N@@H+](C1CCCCC1)[C@H]1CCNC2(CCC2)C1 ZINC001246948766 804616236 /nfs/dbraw/zinc/61/62/36/804616236.db2.gz LKBMUTOJGXGMBL-INIZCTEOSA-N 1 3 262.441 3.482 20 30 CGEDHO C=CCOC1CCC([NH+]2C(C)(C)CC(N)CC2(C)C)CC1 ZINC001173313341 808607663 /nfs/dbraw/zinc/60/76/63/808607663.db2.gz VLMQKDIJNURZLH-UHFFFAOYSA-N 1 3 294.483 3.481 20 30 CGEDHO CCCCCCCCN1CCN(CC[NH+](CC)CC)CC1 ZINC001201804101 811965992 /nfs/dbraw/zinc/96/59/92/811965992.db2.gz AUVIDJJCSYOBDN-UHFFFAOYSA-N 1 3 297.531 3.306 20 30 CGEDHO C=CCCCCCCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC001205296428 812937350 /nfs/dbraw/zinc/93/73/50/812937350.db2.gz PETIEAWBYLODMP-CVEARBPZSA-N 1 3 252.446 3.430 20 30 CGEDHO C=CCCCCCCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC001205296428 812937354 /nfs/dbraw/zinc/93/73/54/812937354.db2.gz PETIEAWBYLODMP-CVEARBPZSA-N 1 3 252.446 3.430 20 30 CGEDHO CC[N@H+](CCCN1CCCC1)Cc1c(C)cc(C#N)cc1C ZINC001205692091 813053561 /nfs/dbraw/zinc/05/35/61/813053561.db2.gz CGSNPAWJVKTLHJ-UHFFFAOYSA-N 1 3 299.462 3.483 20 30 CGEDHO CC[N@@H+](CCCN1CCCC1)Cc1c(C)cc(C#N)cc1C ZINC001205692091 813053566 /nfs/dbraw/zinc/05/35/66/813053566.db2.gz CGSNPAWJVKTLHJ-UHFFFAOYSA-N 1 3 299.462 3.483 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001208178303 813728696 /nfs/dbraw/zinc/72/86/96/813728696.db2.gz PXPZCBCDEADLRH-FGTMMUONSA-N 1 3 274.452 3.315 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001208178303 813728702 /nfs/dbraw/zinc/72/87/02/813728702.db2.gz PXPZCBCDEADLRH-FGTMMUONSA-N 1 3 274.452 3.315 20 30 CGEDHO Cc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C#N)c1 ZINC001235425129 819093022 /nfs/dbraw/zinc/09/30/22/819093022.db2.gz IKKOZELRDVSFMT-DLBZAZTESA-N 1 3 297.446 3.078 20 30 CGEDHO CCCCCCC/C=C/CN1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235928859 819227927 /nfs/dbraw/zinc/22/79/27/819227927.db2.gz DKWCUKXDSFFWFM-AFYXXPPBSA-N 1 3 264.457 3.444 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN(C)C2(C)CC[NH2+]CC2)CC1 ZINC001236222413 819388884 /nfs/dbraw/zinc/38/88/84/819388884.db2.gz IDWIJEKKNZISEP-MRXNPFEDSA-N 1 3 262.441 3.363 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN(CC)C[C@H]2CC[NH2+]C2)CC1 ZINC001236407178 819454997 /nfs/dbraw/zinc/45/49/97/819454997.db2.gz CYESXQFQZQXUKT-DLBZAZTESA-N 1 3 262.441 3.220 20 30 CGEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCN(CC)CC ZINC001307923774 933020393 /nfs/dbraw/zinc/02/03/93/933020393.db2.gz JOKMTWHMVKLBSJ-HOTGVXAUSA-N 1 3 252.446 3.443 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001462661839 937657914 /nfs/dbraw/zinc/65/79/14/937657914.db2.gz CCDVLSVZWNDLPK-QKPAOTATSA-N 1 3 250.430 3.051 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN2CCCC2)C1 ZINC000651682365 398268673 /nfs/dbraw/zinc/26/86/73/398268673.db2.gz WUIBUTGAFVAULY-XHSDSOJGSA-N 1 3 250.430 3.053 20 30 CGEDHO N#CC1(c2ccc(C[NH2+]CCCN3CCCCC3)cc2)CC1 ZINC000594917851 347228859 /nfs/dbraw/zinc/22/88/59/347228859.db2.gz KUQFROAVPZCWEC-UHFFFAOYSA-N 1 3 297.446 3.207 20 30 CGEDHO C=CCCSCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000595060554 347274275 /nfs/dbraw/zinc/27/42/75/347274275.db2.gz VKOAJIRVPOVKOT-UHFFFAOYSA-N 1 3 270.486 3.148 20 30 CGEDHO C=CCCSCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000595060554 347274278 /nfs/dbraw/zinc/27/42/78/347274278.db2.gz VKOAJIRVPOVKOT-UHFFFAOYSA-N 1 3 270.486 3.148 20 30 CGEDHO Cc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1C#N ZINC000600708840 347829592 /nfs/dbraw/zinc/82/95/92/347829592.db2.gz HGGGUUDXDXVNHO-GOSISDBHSA-N 1 3 297.446 3.078 20 30 CGEDHO C=CC[C@@H]1CCN(CCC[N@@H+]2CC[C@@H](CC=C)C2)C1 ZINC000625703073 350200054 /nfs/dbraw/zinc/20/00/54/350200054.db2.gz QALVPJBJDFEZNY-IAGOWNOFSA-N 1 3 262.441 3.173 20 30 CGEDHO C=CC[C@@H]1CCN(CCC[N@H+]2CC[C@@H](CC=C)C2)C1 ZINC000625703073 350200056 /nfs/dbraw/zinc/20/00/56/350200056.db2.gz QALVPJBJDFEZNY-IAGOWNOFSA-N 1 3 262.441 3.173 20 30 CGEDHO N#Cc1ccc(CNCCCCC[NH+]2CCCCC2)s1 ZINC000176968949 189017538 /nfs/dbraw/zinc/01/75/38/189017538.db2.gz NUYPPQRTYOGSBW-UHFFFAOYSA-N 1 3 291.464 3.366 20 30 CGEDHO CCN1CC[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000344388622 217176859 /nfs/dbraw/zinc/17/68/59/217176859.db2.gz BHJFONNMZZWPPY-CJNGLKHVSA-N 1 3 289.398 3.002 20 30 CGEDHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000344388622 217176862 /nfs/dbraw/zinc/17/68/62/217176862.db2.gz BHJFONNMZZWPPY-CJNGLKHVSA-N 1 3 289.398 3.002 20 30 CGEDHO C[N@@H+]1CCC[C@@H]1CCN[C@@H](CCCC#N)c1ccccc1 ZINC000433023409 372578491 /nfs/dbraw/zinc/57/84/91/372578491.db2.gz PRNXVXSLVZXYQU-MSOLQXFVSA-N 1 3 285.435 3.495 20 30 CGEDHO C[N@H+]1CCC[C@@H]1CCN[C@@H](CCCC#N)c1ccccc1 ZINC000433023409 372578499 /nfs/dbraw/zinc/57/84/99/372578499.db2.gz PRNXVXSLVZXYQU-MSOLQXFVSA-N 1 3 285.435 3.495 20 30 CGEDHO CN1CCC[C@@H]1CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433023409 372578507 /nfs/dbraw/zinc/57/85/07/372578507.db2.gz PRNXVXSLVZXYQU-MSOLQXFVSA-N 1 3 285.435 3.495 20 30 CGEDHO C=CCC[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)C1CC1 ZINC000439083462 372971931 /nfs/dbraw/zinc/97/19/31/372971931.db2.gz CSGAVIBWOQPBBQ-NVXWUHKLSA-N 1 3 264.457 3.443 20 30 CGEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1CN(CC)CC ZINC000509121002 375772484 /nfs/dbraw/zinc/77/24/84/375772484.db2.gz HOBGTPNUFBXLMT-JKSUJKDBSA-N 1 3 252.446 3.443 20 30 CGEDHO C=C(C)C[NH+]1CCC(NC/C=C\c2ccc(F)cc2)CC1 ZINC000255604963 377769769 /nfs/dbraw/zinc/76/97/69/377769769.db2.gz QHASNGSXFLWSDG-ARJAWSKDSA-N 1 3 288.410 3.469 20 30 CGEDHO C=CCN(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411559605 380152092 /nfs/dbraw/zinc/15/20/92/380152092.db2.gz ADNRWELRXLHOQZ-UHFFFAOYSA-N 1 3 258.409 3.290 20 30 CGEDHO C=CCC[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccco1 ZINC000643537111 380353590 /nfs/dbraw/zinc/35/35/90/380353590.db2.gz ZLFGVNQTUGAYCQ-DZGCQCFKSA-N 1 3 260.381 3.019 20 30 CGEDHO C=C(CC)CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648840075 393269237 /nfs/dbraw/zinc/26/92/37/393269237.db2.gz QWPDWQWGRRBFED-UHFFFAOYSA-N 1 3 288.435 3.217 20 30 CGEDHO C=C[C@H]1CCCCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683843519 543948267 /nfs/dbraw/zinc/94/82/67/543948267.db2.gz HEWQFTJTXZDNHV-KRWDZBQOSA-N 1 3 288.435 3.168 20 30 CGEDHO C=CCC[C@H](CC)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467302 419622406 /nfs/dbraw/zinc/62/24/06/419622406.db2.gz DSRDWGZVIPRVKG-SJORKVTESA-N 1 3 264.457 3.443 20 30 CGEDHO C=C[C@H](C)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449184631 260284225 /nfs/dbraw/zinc/28/42/25/260284225.db2.gz FPAVAJUXEGHBAU-JKSUJKDBSA-N 1 3 272.436 3.246 20 30 CGEDHO CC[N@@H+]1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000341707610 276231595 /nfs/dbraw/zinc/23/15/95/276231595.db2.gz NGQFEDXVEKQCEO-CCKFTAQKSA-N 1 3 297.446 3.256 20 30 CGEDHO CC[N@H+]1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000341707610 276231596 /nfs/dbraw/zinc/23/15/96/276231596.db2.gz NGQFEDXVEKQCEO-CCKFTAQKSA-N 1 3 297.446 3.256 20 30 CGEDHO C=CCCCC[NH+]1CCC(N2CCCCC2)CC1 ZINC000563506699 328070636 /nfs/dbraw/zinc/07/06/36/328070636.db2.gz CBVGQSSTSWUQAF-UHFFFAOYSA-N 1 3 250.430 3.293 20 30 CGEDHO CCCCN1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000567088117 322150004 /nfs/dbraw/zinc/15/00/04/322150004.db2.gz YKPLSHOCOLDRBV-IBGZPJMESA-N 1 3 297.446 3.400 20 30 CGEDHO C=CCC[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccco1 ZINC000423430108 330198678 /nfs/dbraw/zinc/19/86/78/330198678.db2.gz HUUGMXCPXRIOKC-ARFHVFGLSA-N 1 3 274.408 3.265 20 30 CGEDHO C[C@@H](N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424318598 330339845 /nfs/dbraw/zinc/33/98/45/330339845.db2.gz DAJBXPMWTXSQOB-QXCFHYIPSA-N 1 3 297.446 3.179 20 30 CGEDHO C[C@@H](N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424318598 330339846 /nfs/dbraw/zinc/33/98/46/330339846.db2.gz DAJBXPMWTXSQOB-QXCFHYIPSA-N 1 3 297.446 3.179 20 30 CGEDHO N#C[C@H]1CC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000442653091 330778235 /nfs/dbraw/zinc/77/82/35/330778235.db2.gz QXFJUMQULLIYBW-RBUKOAKNSA-N 1 3 297.446 3.454 20 30 CGEDHO C[C@H](C[NH2+]CC(C)(C)CCC#N)CN1CCCCC1 ZINC000135154340 334118002 /nfs/dbraw/zinc/11/80/02/334118002.db2.gz QVVKRKRLWZCMBD-OAHLLOKOSA-N 1 3 265.445 3.028 20 30 CGEDHO C[C@@H](C[NH2+]CC(C)(C)CCC#N)CN1CCCCC1 ZINC000135154324 334118090 /nfs/dbraw/zinc/11/80/90/334118090.db2.gz QVVKRKRLWZCMBD-HNNXBMFYSA-N 1 3 265.445 3.028 20 30 CGEDHO N#Cc1cccc(CN[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000579716524 335872500 /nfs/dbraw/zinc/87/25/00/335872500.db2.gz PGWATTQWRNYEPK-GOSISDBHSA-N 1 3 279.387 3.128 20 30 CGEDHO C=CCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000381860821 336074640 /nfs/dbraw/zinc/07/46/40/336074640.db2.gz IXJLKGGRBKIEHJ-GBESFXJTSA-N 1 3 284.447 3.453 20 30 CGEDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000925588242 619075570 /nfs/dbraw/zinc/07/55/70/619075570.db2.gz PAOJYZFQATVYAL-HZPDHXFCSA-N 1 3 279.472 3.272 20 30 CGEDHO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000925588242 619075572 /nfs/dbraw/zinc/07/55/72/619075572.db2.gz PAOJYZFQATVYAL-HZPDHXFCSA-N 1 3 279.472 3.272 20 30 CGEDHO CC1(C)C[C@@H](NCc2ccc(C#N)c(Cl)c2)C[C@@H]([NH3+])C1 ZINC000925664477 619118907 /nfs/dbraw/zinc/11/89/07/619118907.db2.gz FKOHSIMQRANIAX-KGLIPLIRSA-N 1 3 291.826 3.207 20 30 CGEDHO C[N@@H+]1C[C@@]2(C)CN(CCCCC3(C#N)CCC3)C[C@@]2(C)C1 ZINC000931316934 619143562 /nfs/dbraw/zinc/14/35/62/619143562.db2.gz LPQRSXREQKXEEY-CALCHBBNSA-N 1 3 289.467 3.124 20 30 CGEDHO C[N@H+]1C[C@@]2(C)CN(CCCCC3(C#N)CCC3)C[C@@]2(C)C1 ZINC000931316934 619143565 /nfs/dbraw/zinc/14/35/65/619143565.db2.gz LPQRSXREQKXEEY-CALCHBBNSA-N 1 3 289.467 3.124 20 30 CGEDHO C[C@@H](CN(C)C)[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000895380026 619817029 /nfs/dbraw/zinc/81/70/29/619817029.db2.gz XCIBOXLKRHMLEA-MAUKXSAKSA-N 1 3 285.435 3.110 20 30 CGEDHO C[C@@H](CN(C)C)[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000895380026 619817031 /nfs/dbraw/zinc/81/70/31/619817031.db2.gz XCIBOXLKRHMLEA-MAUKXSAKSA-N 1 3 285.435 3.110 20 30 CGEDHO N#C[C@@H]1CC[C@@H](NC[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000866561840 633192756 /nfs/dbraw/zinc/19/27/56/633192756.db2.gz MLQGUMXRMULKGA-BFYDXBDKSA-N 1 3 275.440 3.065 20 30 CGEDHO N#C[C@@H]1CC[C@@H](NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000866561840 633192760 /nfs/dbraw/zinc/19/27/60/633192760.db2.gz MLQGUMXRMULKGA-BFYDXBDKSA-N 1 3 275.440 3.065 20 30 CGEDHO C#CCCCCCC[N@H+]1CCCC12CCN(C)CC2 ZINC000877458500 635043838 /nfs/dbraw/zinc/04/38/38/635043838.db2.gz WJEKHAHWKYOZGU-UHFFFAOYSA-N 1 3 262.441 3.130 20 30 CGEDHO C#CCCCCCC[N@@H+]1CCCC12CCN(C)CC2 ZINC000877458500 635043845 /nfs/dbraw/zinc/04/38/45/635043845.db2.gz WJEKHAHWKYOZGU-UHFFFAOYSA-N 1 3 262.441 3.130 20 30 CGEDHO N#CCCC[C@H](N[C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925678515 638566826 /nfs/dbraw/zinc/56/68/26/638566826.db2.gz VKCGFQXCXXVZRY-ULQDDVLXSA-N 1 3 283.419 3.281 20 30 CGEDHO N#C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@H]2CCN2CCCC2)C1 ZINC001254669002 806479841 /nfs/dbraw/zinc/47/98/41/806479841.db2.gz MMHBTJGUOOCTKM-IXDOHACOSA-N 1 3 275.440 3.019 20 30 CGEDHO N#C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2CCN2CCCC2)C1 ZINC001254669002 806479843 /nfs/dbraw/zinc/47/98/43/806479843.db2.gz MMHBTJGUOOCTKM-IXDOHACOSA-N 1 3 275.440 3.019 20 30 CGEDHO C[N@H+]([C@H]1CC[C@H](C#N)C1)C1CCN(C2CCCCC2)CC1 ZINC001254677238 806485403 /nfs/dbraw/zinc/48/54/03/806485403.db2.gz RKSBJUAQXQZUFS-YJBOKZPZSA-N 1 3 289.467 3.408 20 30 CGEDHO C[N@@H+]([C@H]1CC[C@H](C#N)C1)C1CCN(C2CCCCC2)CC1 ZINC001254677238 806485408 /nfs/dbraw/zinc/48/54/08/806485408.db2.gz RKSBJUAQXQZUFS-YJBOKZPZSA-N 1 3 289.467 3.408 20 30 CGEDHO CCCCCCCC[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC001246010318 804096855 /nfs/dbraw/zinc/09/68/55/804096855.db2.gz LLLNLCAFMGVSEC-CABCVRRESA-N 1 3 272.477 3.061 20 30 CGEDHO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCNCC1(C)C ZINC001246003136 804098904 /nfs/dbraw/zinc/09/89/04/804098904.db2.gz HEDRQBNZOTXIFE-HZPDHXFCSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCC[C@@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC001246003136 804098912 /nfs/dbraw/zinc/09/89/12/804098912.db2.gz HEDRQBNZOTXIFE-HZPDHXFCSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+][C@]1(CC(=O)OCC)CCNC1 ZINC001246133762 804159489 /nfs/dbraw/zinc/15/94/89/804159489.db2.gz VPWKMXRUWUDLKX-RDJZCZTQSA-N 1 3 298.471 3.010 20 30 CGEDHO CCCCCCC[C@H](CC(C)C)[NH2+][C@@]1(CCO)CCNC1 ZINC001246294034 804263159 /nfs/dbraw/zinc/26/31/59/804263159.db2.gz LRWIPVAFDGKIEN-QZTJIDSGSA-N 1 3 298.515 3.466 20 30 CGEDHO C=CCC[C@@H](C)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246431897 804329121 /nfs/dbraw/zinc/32/91/21/804329121.db2.gz UONZHYDZWKQNCM-CQSZACIVSA-N 1 3 276.399 3.349 20 30 CGEDHO CCCCCCCCCCC[C@H](C)[NH2+][C@H]1CNC[C@@H]1N ZINC001246446223 804333101 /nfs/dbraw/zinc/33/31/01/804333101.db2.gz KXCBBJWMJVHBTQ-ULQDDVLXSA-N 1 3 283.504 3.185 20 30 CGEDHO CCCCCCCCC[C@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246446419 804336620 /nfs/dbraw/zinc/33/66/20/804336620.db2.gz SRSZXPYVXNOMDW-LSDHHAIUSA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCCCC[C@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246446419 804336627 /nfs/dbraw/zinc/33/66/27/804336627.db2.gz SRSZXPYVXNOMDW-LSDHHAIUSA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCC[C@H](C)N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001246473892 804350797 /nfs/dbraw/zinc/35/07/97/804350797.db2.gz LIJQMZLBUNMHEY-CAOSSQGBSA-N 1 3 250.430 3.099 20 30 CGEDHO CCCCCCC[C@H](CC)N[C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246492852 804359182 /nfs/dbraw/zinc/35/91/82/804359182.db2.gz DDJNCMFSZMNHEU-UGUYLWEFSA-N 1 3 252.446 3.466 20 30 CGEDHO C[C@@H]1[C@H]([NH3+])CCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246546935 804397007 /nfs/dbraw/zinc/39/70/07/804397007.db2.gz CBHHWYSYHIMMHH-HELAGCTPSA-N 1 3 283.419 3.006 20 30 CGEDHO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@@H](N)CC3)CC2)cc1 ZINC001246549351 804397632 /nfs/dbraw/zinc/39/76/32/804397632.db2.gz WTQITGDHLISNDP-JLAWEPINSA-N 1 3 297.446 3.398 20 30 CGEDHO N#Cc1ccc(C2CCC([N@H+]3CCC[C@@H](N)CC3)CC2)cc1 ZINC001246549351 804397640 /nfs/dbraw/zinc/39/76/40/804397640.db2.gz WTQITGDHLISNDP-JLAWEPINSA-N 1 3 297.446 3.398 20 30 CGEDHO CCCCCCCCCC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580322 804425816 /nfs/dbraw/zinc/42/58/16/804425816.db2.gz MWPSTGXPMPGUJN-ULQDDVLXSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCCCCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580322 804425819 /nfs/dbraw/zinc/42/58/19/804425819.db2.gz MWPSTGXPMPGUJN-ULQDDVLXSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCC[C@@H](CC)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246622237 804455926 /nfs/dbraw/zinc/45/59/26/804455926.db2.gz HJUWSONJYNDULW-BRWVUGGUSA-N 1 3 282.472 3.046 20 30 CGEDHO CCCCCCCCC[C@@H](C)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246647275 804475299 /nfs/dbraw/zinc/47/52/99/804475299.db2.gz QXGFAKPTMUQDBP-KURKYZTESA-N 1 3 296.499 3.029 20 30 CGEDHO C[C@@H](CCCC#N)[N@H+](CCCN)C1CCCCC1 ZINC001172481551 808344841 /nfs/dbraw/zinc/34/48/41/808344841.db2.gz WBBSUUVQLYVHEA-AWEZNQCLSA-N 1 3 251.418 3.052 20 30 CGEDHO C[C@@H](CCCC#N)[N@@H+](CCCN)C1CCCCC1 ZINC001172481551 808344847 /nfs/dbraw/zinc/34/48/47/808344847.db2.gz WBBSUUVQLYVHEA-AWEZNQCLSA-N 1 3 251.418 3.052 20 30 CGEDHO CCCCCCC[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001201798491 811965976 /nfs/dbraw/zinc/96/59/76/811965976.db2.gz WPQSKLVKZGNNFV-HZPDHXFCSA-N 1 3 252.446 3.230 20 30 CGEDHO CCCCCCCN1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001201798491 811965979 /nfs/dbraw/zinc/96/59/79/811965979.db2.gz WPQSKLVKZGNNFV-HZPDHXFCSA-N 1 3 252.446 3.230 20 30 CGEDHO C[C@@H]1CCN(Cc2cccc(C#N)c2Cl)CC[C@@H]1C[NH3+] ZINC001205626805 813033239 /nfs/dbraw/zinc/03/32/39/813033239.db2.gz JKBSZSLYSJVDRI-CHWSQXEVSA-N 1 3 291.826 3.018 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001208178183 813729336 /nfs/dbraw/zinc/72/93/36/813729336.db2.gz MGWLHERQXCTBPZ-QGZVFWFLSA-N 1 3 274.452 3.317 20 30 CGEDHO C=CCCCCC[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001209433233 814035585 /nfs/dbraw/zinc/03/55/85/814035585.db2.gz RYJXZKHLDRYEEZ-IYBDPMFKSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCCCCC[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001209433233 814035593 /nfs/dbraw/zinc/03/55/93/814035593.db2.gz RYJXZKHLDRYEEZ-IYBDPMFKSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCCCCCN1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001209433233 814035602 /nfs/dbraw/zinc/03/56/02/814035602.db2.gz RYJXZKHLDRYEEZ-IYBDPMFKSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCCCCCN1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1 ZINC001209433233 814035605 /nfs/dbraw/zinc/03/56/05/814035605.db2.gz RYJXZKHLDRYEEZ-IYBDPMFKSA-N 1 3 250.430 3.006 20 30 CGEDHO CC(C)CN(C)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000593645865 347098193 /nfs/dbraw/zinc/09/81/93/347098193.db2.gz LUFILVVIUZHHOK-UHFFFAOYSA-N 1 3 265.445 3.026 20 30 CGEDHO CC(C)N1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594925352 347230809 /nfs/dbraw/zinc/23/08/09/347230809.db2.gz WTJPQULYQKEOOF-UHFFFAOYSA-N 1 3 297.446 3.204 20 30 CGEDHO CC[N@H+](Cc1ccc(CN(C)C)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000599661341 347762480 /nfs/dbraw/zinc/76/24/80/347762480.db2.gz UNQONDFVYBMOEN-ROUUACIJSA-N 1 3 285.435 3.262 20 30 CGEDHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000599661341 347762482 /nfs/dbraw/zinc/76/24/82/347762482.db2.gz UNQONDFVYBMOEN-ROUUACIJSA-N 1 3 285.435 3.262 20 30 CGEDHO C=C(C)C[NH+]1CCC(Nc2ccnc3ccccc32)CC1 ZINC000599914090 347775605 /nfs/dbraw/zinc/77/56/05/347775605.db2.gz XPQBGCGKRMEEAA-UHFFFAOYSA-N 1 3 281.403 3.109 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123059 349981121 /nfs/dbraw/zinc/98/11/21/349981121.db2.gz DXKDKDBATYFXNN-JKSUJKDBSA-N 1 3 252.446 3.443 20 30 CGEDHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(C#N)cc1 ZINC000154321289 188136296 /nfs/dbraw/zinc/13/62/96/188136296.db2.gz KMLKBHNQXLBWHP-AWEZNQCLSA-N 1 3 283.419 3.083 20 30 CGEDHO C=CC[C@H](C)[C@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159607659 372161195 /nfs/dbraw/zinc/16/11/95/372161195.db2.gz ONTVUNCWAZNEJS-STQMWFEESA-N 1 3 252.446 3.486 20 30 CGEDHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442658073 373062673 /nfs/dbraw/zinc/06/26/73/373062673.db2.gz WXMKGRHPAKIJEH-ZWKOTPCHSA-N 1 3 285.435 3.310 20 30 CGEDHO C=CCCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000280151973 379622988 /nfs/dbraw/zinc/62/29/88/379622988.db2.gz RRUPNKBSMSBKHE-HNNXBMFYSA-N 1 3 276.424 3.244 20 30 CGEDHO CCCN(C)C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000409446526 380036647 /nfs/dbraw/zinc/03/66/47/380036647.db2.gz XZWPLSCVMKVOSP-INIZCTEOSA-N 1 3 279.472 3.370 20 30 CGEDHO CCCN(C)C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000409446526 380036650 /nfs/dbraw/zinc/03/66/50/380036650.db2.gz XZWPLSCVMKVOSP-INIZCTEOSA-N 1 3 279.472 3.370 20 30 CGEDHO CC[N@H+](C)Cc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000105449308 392289571 /nfs/dbraw/zinc/28/95/71/392289571.db2.gz IWXBNIMRYQOORY-UHFFFAOYSA-N 1 3 293.414 3.300 20 30 CGEDHO CC[N@@H+](C)Cc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000105449308 392289577 /nfs/dbraw/zinc/28/95/77/392289577.db2.gz IWXBNIMRYQOORY-UHFFFAOYSA-N 1 3 293.414 3.300 20 30 CGEDHO CC(C)CN1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000120763086 392403718 /nfs/dbraw/zinc/40/37/18/392403718.db2.gz JDYYSEGSFOGIFM-INIZCTEOSA-N 1 3 279.472 3.274 20 30 CGEDHO CCCCCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374418941 392677993 /nfs/dbraw/zinc/67/79/93/392677993.db2.gz FUHIYJNCYBDKSF-YESZJQIVSA-N 1 3 282.472 3.140 20 30 CGEDHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(C#N)cc1 ZINC000245833244 393047313 /nfs/dbraw/zinc/04/73/13/393047313.db2.gz CCDWPUCWVOBBSS-RRQGHBQHSA-N 1 3 271.408 3.082 20 30 CGEDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417385676 393349162 /nfs/dbraw/zinc/34/91/62/393349162.db2.gz MEYRCDVRWLKVKH-TWKYDXJASA-N 1 3 297.446 3.254 20 30 CGEDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417385676 393349169 /nfs/dbraw/zinc/34/91/69/393349169.db2.gz MEYRCDVRWLKVKH-TWKYDXJASA-N 1 3 297.446 3.254 20 30 CGEDHO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)CN1CCCCC1 ZINC000038041725 174043312 /nfs/dbraw/zinc/04/33/12/174043312.db2.gz GCBCZNYVSYKEIN-CVEARBPZSA-N 1 3 285.435 3.331 20 30 CGEDHO C#CCCCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000090398436 264399877 /nfs/dbraw/zinc/39/98/77/264399877.db2.gz FZLDAWGSSMQCAI-MRXNPFEDSA-N 1 3 288.435 3.081 20 30 CGEDHO CC(C)(CCC#N)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423130356 330171914 /nfs/dbraw/zinc/17/19/14/330171914.db2.gz RYFFVRRZZRPNPT-CABCVRRESA-N 1 3 257.381 3.051 20 30 CGEDHO C=CCC[C@H](CC)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000162868558 330759496 /nfs/dbraw/zinc/75/94/96/330759496.db2.gz FVCNEOFYCHCRJT-ZACQAIPSSA-N 1 3 282.472 3.210 20 30 CGEDHO CC#CCN1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000548488668 334160297 /nfs/dbraw/zinc/16/02/97/334160297.db2.gz XONAANTYIAXQRU-UHFFFAOYSA-N 1 3 264.457 3.090 20 30 CGEDHO CC#CCN1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000548488668 334160298 /nfs/dbraw/zinc/16/02/98/334160298.db2.gz XONAANTYIAXQRU-UHFFFAOYSA-N 1 3 264.457 3.090 20 30 CGEDHO C=C(CC)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347960220 526860464 /nfs/dbraw/zinc/86/04/64/526860464.db2.gz PLZRTCWMUHCZNJ-CABCVRRESA-N 1 3 250.430 3.195 20 30 CGEDHO C=C(CC)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347960220 526860467 /nfs/dbraw/zinc/86/04/67/526860467.db2.gz PLZRTCWMUHCZNJ-CABCVRRESA-N 1 3 250.430 3.195 20 30 CGEDHO C=C(CC)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000347960220 526860472 /nfs/dbraw/zinc/86/04/72/526860472.db2.gz PLZRTCWMUHCZNJ-CABCVRRESA-N 1 3 250.430 3.195 20 30 CGEDHO N#CC1(CCCCN2CCCC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000903784016 621807725 /nfs/dbraw/zinc/80/77/25/621807725.db2.gz JGJSLCJPDOZTKT-GOSISDBHSA-N 1 3 289.467 3.316 20 30 CGEDHO C#CCCCCCCN1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000876775602 634898072 /nfs/dbraw/zinc/89/80/72/634898072.db2.gz ZGLPOGUGIKASQY-KRWDZBQOSA-N 1 3 264.457 3.234 20 30 CGEDHO C#CCCCCCCN1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000876775602 634898076 /nfs/dbraw/zinc/89/80/76/634898076.db2.gz ZGLPOGUGIKASQY-KRWDZBQOSA-N 1 3 264.457 3.234 20 30 CGEDHO C=C(CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925636209 638551699 /nfs/dbraw/zinc/55/16/99/638551699.db2.gz RVBHGPASFCHTSU-CVEARBPZSA-N 1 3 258.409 3.195 20 30 CGEDHO CCC1(N2CCC2)CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000931753383 639201090 /nfs/dbraw/zinc/20/10/90/639201090.db2.gz YCDSVEQSAIDFOY-UHFFFAOYSA-N 1 3 289.467 3.267 20 30 CGEDHO CN1CCC[C@H]1CC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612264 639469469 /nfs/dbraw/zinc/46/94/69/639469469.db2.gz YMMVIUHVEBEQDZ-IBGZPJMESA-N 1 3 297.446 3.222 20 30 CGEDHO C[N@@H+]1CCC[C@H]1CCN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612264 639469472 /nfs/dbraw/zinc/46/94/72/639469472.db2.gz YMMVIUHVEBEQDZ-IBGZPJMESA-N 1 3 297.446 3.222 20 30 CGEDHO C[N@H+]1CCC[C@H]1CCN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612264 639469476 /nfs/dbraw/zinc/46/94/76/639469476.db2.gz YMMVIUHVEBEQDZ-IBGZPJMESA-N 1 3 297.446 3.222 20 30 CGEDHO CCCCCCCC[C@@H](O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001252130696 806017004 /nfs/dbraw/zinc/01/70/04/806017004.db2.gz WTCBMKHFLLWUSF-QZTJIDSGSA-N 1 3 296.499 3.126 20 30 CGEDHO CCCCCCCC[C@@H](O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001252130696 806017012 /nfs/dbraw/zinc/01/70/12/806017012.db2.gz WTCBMKHFLLWUSF-QZTJIDSGSA-N 1 3 296.499 3.126 20 30 CGEDHO C#C[C@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)C ZINC000716624120 800177147 /nfs/dbraw/zinc/17/71/47/800177147.db2.gz DKFIAUDUOLTHJC-MUGJNUQGSA-N 1 3 296.458 3.287 20 30 CGEDHO C#C[C@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716624120 800177149 /nfs/dbraw/zinc/17/71/49/800177149.db2.gz DKFIAUDUOLTHJC-MUGJNUQGSA-N 1 3 296.458 3.287 20 30 CGEDHO C#C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716624120 800177152 /nfs/dbraw/zinc/17/71/52/800177152.db2.gz DKFIAUDUOLTHJC-MUGJNUQGSA-N 1 3 296.458 3.287 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[NH2+]C1CCNCC1 ZINC001245976612 804091523 /nfs/dbraw/zinc/09/15/23/804091523.db2.gz VFUMWADUBSBXQL-KRWDZBQOSA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCCCCC[C@H](O)CNC1CC[NH2+]CC1 ZINC001245976612 804091537 /nfs/dbraw/zinc/09/15/37/804091537.db2.gz VFUMWADUBSBXQL-KRWDZBQOSA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001245999295 804096296 /nfs/dbraw/zinc/09/62/96/804096296.db2.gz DVYLGZSMAUVDPZ-OWSLCNJRSA-N 1 3 296.499 3.076 20 30 CGEDHO C=CCCCCCC[C@H](O)CNC[C@]1(C)CCCC[NH2+]C1 ZINC001245995727 804096594 /nfs/dbraw/zinc/09/65/94/804096594.db2.gz UEPVIOKPTNDLLG-ZWKOTPCHSA-N 1 3 296.499 3.243 20 30 CGEDHO CCCCCCCC[C@@H](O)C[NH2+]C1(CC)CCNCC1 ZINC001246009496 804097883 /nfs/dbraw/zinc/09/78/83/804097883.db2.gz XUXLFIJMINIKDW-MRXNPFEDSA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@@H](CC)C1C[NH2+]C1 ZINC001246020207 804099470 /nfs/dbraw/zinc/09/94/70/804099470.db2.gz MZXICCXUDSRGBY-ROUUACIJSA-N 1 3 298.515 3.466 20 30 CGEDHO N#Cc1ccc(C2CCC(N[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246092603 804125771 /nfs/dbraw/zinc/12/57/71/804125771.db2.gz SVYUHGQGIAYVDV-CTWPCTMYSA-N 1 3 297.446 3.316 20 30 CGEDHO CCCCCCCCC[C@H](C)N[C@H]1COCCC12C[NH2+]C2 ZINC001246139419 804163227 /nfs/dbraw/zinc/16/32/27/804163227.db2.gz TWMNWISMNMUKDW-IRXDYDNUSA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCC[C@H](CC)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246148312 804168466 /nfs/dbraw/zinc/16/84/66/804168466.db2.gz LUMANFVWSWNYDH-XUWVNRHRSA-N 1 3 252.446 3.323 20 30 CGEDHO CCCCCCCCC[C@@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246446418 804336722 /nfs/dbraw/zinc/33/67/22/804336722.db2.gz SRSZXPYVXNOMDW-HUUCEWRRSA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCCCC[C@@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246446418 804336730 /nfs/dbraw/zinc/33/67/30/804336730.db2.gz SRSZXPYVXNOMDW-HUUCEWRRSA-N 1 3 252.446 3.467 20 30 CGEDHO C=C1C[C@@H]2CC(NC[C@]3(CCC)CC[NH2+]3)C[C@H](C1)C2 ZINC001246455136 804337778 /nfs/dbraw/zinc/33/77/78/804337778.db2.gz HFRPCIVYSWGDIU-WFVVYAPDSA-N 1 3 262.441 3.243 20 30 CGEDHO CCCCCCC[C@@H](CC)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246617472 804451975 /nfs/dbraw/zinc/45/19/75/804451975.db2.gz GFZNUGAANHGVFD-SQNIBIBYSA-N 1 3 295.515 3.151 20 30 CGEDHO CCCCCCC[C@@H](CC)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246617472 804451979 /nfs/dbraw/zinc/45/19/79/804451979.db2.gz GFZNUGAANHGVFD-SQNIBIBYSA-N 1 3 295.515 3.151 20 30 CGEDHO CCCCCCCCC[C@H](C)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246642145 804468976 /nfs/dbraw/zinc/46/89/76/804468976.db2.gz LKWOZXHKPWZJEM-ROUUACIJSA-N 1 3 295.515 3.153 20 30 CGEDHO CCCCCCCCC[C@H](C)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246647274 804475646 /nfs/dbraw/zinc/47/56/46/804475646.db2.gz QXGFAKPTMUQDBP-KSZLIROESA-N 1 3 296.499 3.029 20 30 CGEDHO C[C@H]1CC([NH+]2CCC(C#Cc3ccccc3)CC2)C[C@H](C)N1 ZINC001246920745 804600934 /nfs/dbraw/zinc/60/09/34/804600934.db2.gz FGSQGRBJDYKRLI-IRXDYDNUSA-N 1 3 296.458 3.279 20 30 CGEDHO C[C@H]1CC(N2CCC(C#Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC001246920745 804600935 /nfs/dbraw/zinc/60/09/35/804600935.db2.gz FGSQGRBJDYKRLI-IRXDYDNUSA-N 1 3 296.458 3.279 20 30 CGEDHO C[C@@H]1C[C@@H]([NH+]2CCC(C#Cc3ccccc3)CC2)C[C@H](C)N1 ZINC001246920747 804601097 /nfs/dbraw/zinc/60/10/97/804601097.db2.gz FGSQGRBJDYKRLI-XEMDLRDOSA-N 1 3 296.458 3.279 20 30 CGEDHO C[C@@H]1C[C@@H](N2CCC(C#Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC001246920747 804601100 /nfs/dbraw/zinc/60/11/00/804601100.db2.gz FGSQGRBJDYKRLI-XEMDLRDOSA-N 1 3 296.458 3.279 20 30 CGEDHO C#CCCCC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171627408 808107877 /nfs/dbraw/zinc/10/78/77/808107877.db2.gz SCXCMXLDGCPTKM-UHFFFAOYSA-N 1 3 250.430 3.031 20 30 CGEDHO C#Cc1cccc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206590406 813366769 /nfs/dbraw/zinc/36/67/69/813366769.db2.gz LFTMSPSOFRAAIO-GOSISDBHSA-N 1 3 270.420 3.020 20 30 CGEDHO C[C@H](CCCC#N)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001172486135 928223651 /nfs/dbraw/zinc/22/36/51/928223651.db2.gz ZFLVWOQUYZCNRS-CYBMUJFWSA-N 1 3 265.445 3.310 20 30 CGEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCN(CC)CC ZINC001307923776 933020001 /nfs/dbraw/zinc/02/00/01/933020001.db2.gz JOKMTWHMVKLBSJ-JKSUJKDBSA-N 1 3 252.446 3.443 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC001560460073 938259212 /nfs/dbraw/zinc/25/92/12/938259212.db2.gz SHYQZZRGRXXTPU-HZPDHXFCSA-N 1 3 264.457 3.443 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC001560460071 938259244 /nfs/dbraw/zinc/25/92/44/938259244.db2.gz SHYQZZRGRXXTPU-CVEARBPZSA-N 1 3 264.457 3.443 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001561052448 938292021 /nfs/dbraw/zinc/29/20/21/938292021.db2.gz BEJGMXBHCLVRHO-XUWVNRHRSA-N 1 3 250.430 3.051 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000591578341 346930087 /nfs/dbraw/zinc/93/00/87/346930087.db2.gz RUNYDOPQODZOSS-SJLPKXTDSA-N 1 3 283.419 3.057 20 30 CGEDHO CN1CCCC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000598995503 347704698 /nfs/dbraw/zinc/70/46/98/347704698.db2.gz ZOLNCTTYUWDKEK-QGZVFWFLSA-N 1 3 297.446 3.063 20 30 CGEDHO CC[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000602019676 347933952 /nfs/dbraw/zinc/93/39/52/347933952.db2.gz FEVWKYNBRDSLKR-DLBZAZTESA-N 1 3 285.435 3.377 20 30 CGEDHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602514111 347973730 /nfs/dbraw/zinc/97/37/30/347973730.db2.gz MAGXOXGOMBAORW-NUWOQIAWSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@@H](CCC#N)C[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000602533822 347977423 /nfs/dbraw/zinc/97/74/23/347977423.db2.gz PJDLKBPFGHOJMB-HNNXBMFYSA-N 1 3 277.456 3.170 20 30 CGEDHO C=CCC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CC1 ZINC000624121906 349979889 /nfs/dbraw/zinc/97/98/89/349979889.db2.gz FWHWZKGWCKOXLR-GOEBONIOSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123068 349981235 /nfs/dbraw/zinc/98/12/35/349981235.db2.gz FGLHPAUNRMQARZ-GVDBMIGSSA-N 1 3 264.457 3.443 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000611390996 348444762 /nfs/dbraw/zinc/44/47/62/348444762.db2.gz YZVQOPIMAKNVBF-KXBFYZLASA-N 1 3 295.430 3.010 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000611390996 348444763 /nfs/dbraw/zinc/44/47/63/348444763.db2.gz YZVQOPIMAKNVBF-KXBFYZLASA-N 1 3 295.430 3.010 20 30 CGEDHO C=CC[C@@H]1CCN(CCC[N@@H+]2CC[C@H](CC=C)C2)C1 ZINC000625703072 350199342 /nfs/dbraw/zinc/19/93/42/350199342.db2.gz QALVPJBJDFEZNY-CALCHBBNSA-N 1 3 262.441 3.173 20 30 CGEDHO C=CC[C@@H]1CCN(CCC[N@H+]2CC[C@H](CC=C)C2)C1 ZINC000625703072 350199347 /nfs/dbraw/zinc/19/93/47/350199347.db2.gz QALVPJBJDFEZNY-CALCHBBNSA-N 1 3 262.441 3.173 20 30 CGEDHO C=CC[C@@H]1CC[N@@H+](CCCN2CC[C@H](CC=C)C2)C1 ZINC000625703072 350199350 /nfs/dbraw/zinc/19/93/50/350199350.db2.gz QALVPJBJDFEZNY-CALCHBBNSA-N 1 3 262.441 3.173 20 30 CGEDHO C=CC[C@@H]1CC[N@H+](CCCN2CC[C@H](CC=C)C2)C1 ZINC000625703072 350199354 /nfs/dbraw/zinc/19/93/54/350199354.db2.gz QALVPJBJDFEZNY-CALCHBBNSA-N 1 3 262.441 3.173 20 30 CGEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000631216786 350993474 /nfs/dbraw/zinc/99/34/74/350993474.db2.gz APIRKEHYGCKPCT-HUUCEWRRSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCCC(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631216786 350993478 /nfs/dbraw/zinc/99/34/78/350993478.db2.gz APIRKEHYGCKPCT-HUUCEWRRSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCCC(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631216786 350993481 /nfs/dbraw/zinc/99/34/81/350993481.db2.gz APIRKEHYGCKPCT-HUUCEWRRSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCC[C@H]([NH2+]Cc1cccc2c1CCNC2)C1CC1 ZINC000635006033 351623647 /nfs/dbraw/zinc/62/36/47/351623647.db2.gz ARCHYSGQFNZTGR-SFHVURJKSA-N 1 3 270.420 3.167 20 30 CGEDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000423014001 371916869 /nfs/dbraw/zinc/91/68/69/371916869.db2.gz HGDMLPDWNVJPGF-GJZGRUSLSA-N 1 3 293.414 3.441 20 30 CGEDHO CC(C)[C@@H](CN[C@@H]1CC[C@@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000442723057 373069771 /nfs/dbraw/zinc/06/97/71/373069771.db2.gz WQPKCWLXQSRZDL-BRWVUGGUSA-N 1 3 277.456 3.025 20 30 CGEDHO C[C@H](NC1CCC([NH+](C)C)CC1)c1ccc(C#N)cc1F ZINC000353669821 220240023 /nfs/dbraw/zinc/24/00/23/220240023.db2.gz JDVHYWYSQDPGSD-GRTSSRMGSA-N 1 3 289.398 3.221 20 30 CGEDHO C=C(CC)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539106043 376295766 /nfs/dbraw/zinc/29/57/66/376295766.db2.gz XGHUGXLOJBSJJE-IAGOWNOFSA-N 1 3 294.483 3.164 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000595504618 378402201 /nfs/dbraw/zinc/40/22/01/378402201.db2.gz KQUOEPOKEPHGJX-CRAIPNDOSA-N 1 3 283.419 3.037 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000595504618 378402206 /nfs/dbraw/zinc/40/22/06/378402206.db2.gz KQUOEPOKEPHGJX-CRAIPNDOSA-N 1 3 283.419 3.037 20 30 CGEDHO CC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(C#N)cc1 ZINC000278631538 194076600 /nfs/dbraw/zinc/07/66/00/194076600.db2.gz GYLHVTVMYAEQLM-KSZLIROESA-N 1 3 285.435 3.472 20 30 CGEDHO N#C[C@H]1CC[C@@H](NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000349824058 379401569 /nfs/dbraw/zinc/40/15/69/379401569.db2.gz XNRPTSDPSRZKDE-QFBILLFUSA-N 1 3 297.446 3.454 20 30 CGEDHO N#C[C@@H]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000349824056 379402445 /nfs/dbraw/zinc/40/24/45/379402445.db2.gz XNRPTSDPSRZKDE-APWZRJJASA-N 1 3 297.446 3.454 20 30 CGEDHO C=CCN(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411575747 380152008 /nfs/dbraw/zinc/15/20/08/380152008.db2.gz WOKAKNGIRCXXDR-UHFFFAOYSA-N 1 3 258.409 3.290 20 30 CGEDHO CN(C)CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000421352441 380892779 /nfs/dbraw/zinc/89/27/79/380892779.db2.gz DHNQJFXVRPKVSV-INIZCTEOSA-N 1 3 291.414 3.153 20 30 CGEDHO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468928 419621435 /nfs/dbraw/zinc/62/14/35/419621435.db2.gz NJPHWHXWIVSGFZ-YQQAZPJKSA-N 1 3 264.457 3.299 20 30 CGEDHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(C#N)cc1 ZINC000020128758 278344684 /nfs/dbraw/zinc/34/46/84/278344684.db2.gz UQRZSUVEASJESN-OAHLLOKOSA-N 1 3 271.408 3.085 20 30 CGEDHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]CC(C)(C)CCC#N)C1 ZINC000174273462 327015946 /nfs/dbraw/zinc/01/59/46/327015946.db2.gz JFZXTVRECNHRCF-HZPDHXFCSA-N 1 3 279.472 3.274 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@H](C)CN1CCCC1)C1CC1 ZINC000120312614 330387799 /nfs/dbraw/zinc/38/77/99/330387799.db2.gz XEXWONRVCCKXIN-HOCLYGCPSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCN(CCC)C1)C1CC1 ZINC000120435011 330387831 /nfs/dbraw/zinc/38/78/31/330387831.db2.gz BZHIUFZFDYGUPX-HOCLYGCPSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477917441 331693764 /nfs/dbraw/zinc/69/37/64/331693764.db2.gz OEPQXWBREMPMET-HUUCEWRRSA-N 1 3 252.446 3.299 20 30 CGEDHO C=CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477917440 331693872 /nfs/dbraw/zinc/69/38/72/331693872.db2.gz OEPQXWBREMPMET-GJZGRUSLSA-N 1 3 252.446 3.299 20 30 CGEDHO C=CC1CCN(CCC[NH+]2CCC(C=C)CC2)CC1 ZINC000158087788 334791911 /nfs/dbraw/zinc/79/19/11/334791911.db2.gz NRBAAKAKFQSTLF-UHFFFAOYSA-N 1 3 262.441 3.173 20 30 CGEDHO C=C(C)CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000381319116 336059235 /nfs/dbraw/zinc/05/92/35/336059235.db2.gz VOJAOCVRLYDRQI-IPMKNSEASA-N 1 3 284.447 3.453 20 30 CGEDHO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000385140174 336140896 /nfs/dbraw/zinc/14/08/96/336140896.db2.gz IHSHHSJCFYWRJY-RRFJBIMHSA-N 1 3 250.430 3.099 20 30 CGEDHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1cccc(C#N)c1 ZINC000183951911 525317808 /nfs/dbraw/zinc/31/78/08/525317808.db2.gz ALVLRLYXIUOXFF-HNNXBMFYSA-N 1 3 285.435 3.331 20 30 CGEDHO CC[C@H](NC1CC[NH+](CC)CC1)c1cccc(C#N)c1 ZINC000902725720 621413297 /nfs/dbraw/zinc/41/32/97/621413297.db2.gz GADMITPISLOKLX-KRWDZBQOSA-N 1 3 271.408 3.083 20 30 CGEDHO C[C@@H]1C[C@@H](C)[N@H+](CCCCC2(C#N)CCC2)C[C@@H]1CN ZINC000903761591 621802208 /nfs/dbraw/zinc/80/22/08/621802208.db2.gz WUNIMUOKNXOUDJ-OAGGEKHMSA-N 1 3 277.456 3.156 20 30 CGEDHO C[C@@H]1C[C@@H](C)[N@@H+](CCCCC2(C#N)CCC2)C[C@@H]1CN ZINC000903761591 621802210 /nfs/dbraw/zinc/80/22/10/621802210.db2.gz WUNIMUOKNXOUDJ-OAGGEKHMSA-N 1 3 277.456 3.156 20 30 CGEDHO C=CCCCCC[C@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000863543085 629601621 /nfs/dbraw/zinc/60/16/21/629601621.db2.gz VOVORZYPMASCPQ-GJZGRUSLSA-N 1 3 250.430 3.386 20 30 CGEDHO C[C@@H](CCC#N)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886646213 637627034 /nfs/dbraw/zinc/62/70/34/637627034.db2.gz CCIUJJFZDHKOLR-YTQUADARSA-N 1 3 297.446 3.133 20 30 CGEDHO C[C@@H](CCC#N)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886646213 637627040 /nfs/dbraw/zinc/62/70/40/637627040.db2.gz CCIUJJFZDHKOLR-YTQUADARSA-N 1 3 297.446 3.133 20 30 CGEDHO C[C@H](CN[C@@H](C)CC(C)(C)C#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667333 638385842 /nfs/dbraw/zinc/38/58/42/638385842.db2.gz KZXPFYPFRWENOQ-QLFBSQMISA-N 1 3 265.445 3.025 20 30 CGEDHO C[C@H](CN[C@@H](C)CC(C)(C)C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000924667333 638385847 /nfs/dbraw/zinc/38/58/47/638385847.db2.gz KZXPFYPFRWENOQ-QLFBSQMISA-N 1 3 265.445 3.025 20 30 CGEDHO CSc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1C#N ZINC000925773641 638606823 /nfs/dbraw/zinc/60/68/23/638606823.db2.gz NXIYEKJMNWKJQF-CABCVRRESA-N 1 3 289.448 3.030 20 30 CGEDHO C=CCCCCCC[C@@H](O)CN(CC)CCC[NH+](C)C ZINC001253242512 806191984 /nfs/dbraw/zinc/19/19/84/806191984.db2.gz MISRAEARIFLYBQ-QGZVFWFLSA-N 1 3 284.488 3.148 20 30 CGEDHO C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000328109867 799250447 /nfs/dbraw/zinc/25/04/47/799250447.db2.gz NQBJTJJQPVORNJ-GFCCVEGCSA-N 1 3 282.790 3.085 20 30 CGEDHO C#CC[N@H+](C)CCCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000328109867 799250452 /nfs/dbraw/zinc/25/04/52/799250452.db2.gz NQBJTJJQPVORNJ-GFCCVEGCSA-N 1 3 282.790 3.085 20 30 CGEDHO C=C[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716716059 800179251 /nfs/dbraw/zinc/17/92/51/800179251.db2.gz ZHCDCGBIPNOUDN-OWLYRPNTSA-N 1 3 270.420 3.204 20 30 CGEDHO C=C[C@H](C)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716716059 800179256 /nfs/dbraw/zinc/17/92/56/800179256.db2.gz ZHCDCGBIPNOUDN-OWLYRPNTSA-N 1 3 270.420 3.204 20 30 CGEDHO C=C[C@H](C)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716716059 800179263 /nfs/dbraw/zinc/17/92/63/800179263.db2.gz ZHCDCGBIPNOUDN-OWLYRPNTSA-N 1 3 270.420 3.204 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CNCCC[NH2+]C ZINC001245991243 804095224 /nfs/dbraw/zinc/09/52/24/804095224.db2.gz JPHOTNPCIZMHDO-MRXNPFEDSA-N 1 3 272.477 3.077 20 30 CGEDHO CCCCCCCC[C@H](O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246034390 804102986 /nfs/dbraw/zinc/10/29/86/804102986.db2.gz XCSKOWLHGFVIAP-ROUUACIJSA-N 1 3 296.499 3.173 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@H](C)[C@@H](CN)C3)C[C@H](C1)C2 ZINC001246551972 804402617 /nfs/dbraw/zinc/40/26/17/804402617.db2.gz OBJQYUWGQSHGTM-CLYSKQOPSA-N 1 3 262.441 3.038 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@H](C)[C@@H](CN)C3)C[C@H](C1)C2 ZINC001246551972 804402619 /nfs/dbraw/zinc/40/26/19/804402619.db2.gz OBJQYUWGQSHGTM-CLYSKQOPSA-N 1 3 262.441 3.038 20 30 CGEDHO CCCCCCC[C@@H](CC(C)C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246588244 804431146 /nfs/dbraw/zinc/43/11/46/804431146.db2.gz YFQVDJZCXQRFDP-ULQDDVLXSA-N 1 3 284.488 3.013 20 30 CGEDHO CCCCCCC[C@@H](CC(C)C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246588244 804431149 /nfs/dbraw/zinc/43/11/49/804431149.db2.gz YFQVDJZCXQRFDP-ULQDDVLXSA-N 1 3 284.488 3.013 20 30 CGEDHO C=C1C[C@@H]2CC(N3CC[C@@]4(C3)CCCC[NH2+]4)C[C@H](C1)C2 ZINC001246619239 804454167 /nfs/dbraw/zinc/45/41/67/804454167.db2.gz IDSPJROCKOUXMG-UJJTZGENSA-N 1 3 274.452 3.339 20 30 CGEDHO C=CCCCC[N@@H+](C)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246868604 804571418 /nfs/dbraw/zinc/57/14/18/804571418.db2.gz BFNRMMKWUYVEIZ-GJZGRUSLSA-N 1 3 252.446 3.441 20 30 CGEDHO C=CCCCC[N@H+](C)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246868604 804571420 /nfs/dbraw/zinc/57/14/20/804571420.db2.gz BFNRMMKWUYVEIZ-GJZGRUSLSA-N 1 3 252.446 3.441 20 30 CGEDHO CCCN(CCC[NH+](C)C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142926479 804784962 /nfs/dbraw/zinc/78/49/62/804784962.db2.gz RCMKCEGVGGABDS-UHFFFAOYSA-N 1 3 298.434 3.203 20 30 CGEDHO C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2ccc([C@H](C)N)n2)cc1 ZINC001169237175 807611587 /nfs/dbraw/zinc/61/15/87/807611587.db2.gz LXHQDAKRMUIZRR-KBXCAEBGSA-N 1 3 296.418 3.215 20 30 CGEDHO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2ccc([C@H](C)N)n2)cc1 ZINC001169237175 807611592 /nfs/dbraw/zinc/61/15/92/807611592.db2.gz LXHQDAKRMUIZRR-KBXCAEBGSA-N 1 3 296.418 3.215 20 30 CGEDHO CN(Cc1cccc(C#N)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130392 808185539 /nfs/dbraw/zinc/18/55/39/808185539.db2.gz OOZWEHBGJSKESX-PIIMJCKOSA-N 1 3 283.419 3.005 20 30 CGEDHO CN(Cc1cccc(C#N)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130392 808185540 /nfs/dbraw/zinc/18/55/40/808185540.db2.gz OOZWEHBGJSKESX-PIIMJCKOSA-N 1 3 283.419 3.005 20 30 CGEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC001172292082 808217745 /nfs/dbraw/zinc/21/77/45/808217745.db2.gz CJDCGBQLSUOFJO-IRXDYDNUSA-N 1 3 299.462 3.343 20 30 CGEDHO C[C@H](CCCC#N)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001172493065 808352752 /nfs/dbraw/zinc/35/27/52/808352752.db2.gz VYQNDPLAQHDMKI-IAGOWNOFSA-N 1 3 289.467 3.479 20 30 CGEDHO C[C@@H](CCCC#N)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001172494274 808353050 /nfs/dbraw/zinc/35/30/50/808353050.db2.gz YIOVHCNRNIBJQM-INIZCTEOSA-N 1 3 285.435 3.105 20 30 CGEDHO CC1(C#N)CCC(N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001173600828 808652268 /nfs/dbraw/zinc/65/22/68/808652268.db2.gz KCZYXEJQYNJFMU-UHFFFAOYSA-N 1 3 289.467 3.409 20 30 CGEDHO CCN(CC)CC[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001184418918 810199025 /nfs/dbraw/zinc/19/90/25/810199025.db2.gz UZSNVDGXDZMSLO-QQFBHYJXSA-N 1 3 265.445 3.169 20 30 CGEDHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC001206326472 813289893 /nfs/dbraw/zinc/28/98/93/813289893.db2.gz OABURDPPKUTMEC-MRXNPFEDSA-N 1 3 291.826 3.163 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001208178309 813728786 /nfs/dbraw/zinc/72/87/86/813728786.db2.gz PXPZCBCDEADLRH-KZNAEPCWSA-N 1 3 274.452 3.315 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2C[C@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001208178309 813728790 /nfs/dbraw/zinc/72/87/90/813728790.db2.gz PXPZCBCDEADLRH-KZNAEPCWSA-N 1 3 274.452 3.315 20 30 CGEDHO C=CCCC[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001209162928 813953799 /nfs/dbraw/zinc/95/37/99/813953799.db2.gz OWMAYUGIMQVXDX-HOTGVXAUSA-N 1 3 250.430 3.291 20 30 CGEDHO C=CCCC[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001209162928 813953806 /nfs/dbraw/zinc/95/38/06/813953806.db2.gz OWMAYUGIMQVXDX-HOTGVXAUSA-N 1 3 250.430 3.291 20 30 CGEDHO Cc1cc(C#N)ccc1C[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001236458832 819485912 /nfs/dbraw/zinc/48/59/12/819485912.db2.gz AKCQAASCEANVCH-UHFFFAOYSA-N 1 3 299.462 3.467 20 30 CGEDHO Cc1cc(C#N)ccc1C[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001236458832 819485917 /nfs/dbraw/zinc/48/59/17/819485917.db2.gz AKCQAASCEANVCH-UHFFFAOYSA-N 1 3 299.462 3.467 20 30 CGEDHO Cc1cc(C#N)ccc1CN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458832 819485920 /nfs/dbraw/zinc/48/59/20/819485920.db2.gz AKCQAASCEANVCH-UHFFFAOYSA-N 1 3 299.462 3.467 20 30 CGEDHO C=CCCCN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275484 819713689 /nfs/dbraw/zinc/71/36/89/819713689.db2.gz OGHXKGYRZPCLFV-UHFFFAOYSA-N 1 3 270.420 3.090 20 30 CGEDHO C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001561052829 938292093 /nfs/dbraw/zinc/29/20/93/938292093.db2.gz MEJFWDXIOJTADE-LUKYLMHMSA-N 1 3 264.457 3.441 20 30 CGEDHO C[C@@H]1CCCN(CCC2(C#N)CCCCC2)[C@@H]1CC[NH3+] ZINC001576709889 962488533 /nfs/dbraw/zinc/48/85/33/962488533.db2.gz WOQJXEFEQRETBP-HZPDHXFCSA-N 1 3 277.456 3.300 20 30 CGEDHO C[C@@H]1CCC[N@H+](CCC2(C#N)CCCCC2)[C@@H]1CCN ZINC001576709889 962488540 /nfs/dbraw/zinc/48/85/40/962488540.db2.gz WOQJXEFEQRETBP-HZPDHXFCSA-N 1 3 277.456 3.300 20 30 CGEDHO C[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@@H]1CCN ZINC001576709889 962488549 /nfs/dbraw/zinc/48/85/49/962488549.db2.gz WOQJXEFEQRETBP-HZPDHXFCSA-N 1 3 277.456 3.300 20 30 CGEDHO C=C(C[NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000623381306 349795095 /nfs/dbraw/zinc/79/50/95/349795095.db2.gz NAGWDVWPVUBTDK-INIZCTEOSA-N 1 3 258.409 3.162 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(N)CCCCC1 ZINC000591575869 346929102 /nfs/dbraw/zinc/92/91/02/346929102.db2.gz DFHRMZGMYNEWTA-QGZVFWFLSA-N 1 3 283.419 3.187 20 30 CGEDHO C[N@@H+]1C[C@@H](CN[C@H]2CCC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404322 346985144 /nfs/dbraw/zinc/98/51/44/346985144.db2.gz XMFXXROJZBEGEP-NQYYFHDYSA-N 1 3 297.446 3.004 20 30 CGEDHO C[N@H+]1C[C@@H](CN[C@H]2CCC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404322 346985145 /nfs/dbraw/zinc/98/51/45/346985145.db2.gz XMFXXROJZBEGEP-NQYYFHDYSA-N 1 3 297.446 3.004 20 30 CGEDHO C=CCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821683 345860129 /nfs/dbraw/zinc/86/01/29/345860129.db2.gz DLROZVIULYCKJQ-UHFFFAOYSA-N 1 3 273.424 3.196 20 30 CGEDHO C=CCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821683 345860130 /nfs/dbraw/zinc/86/01/30/345860130.db2.gz DLROZVIULYCKJQ-UHFFFAOYSA-N 1 3 273.424 3.196 20 30 CGEDHO CC[C@@H]1NCC[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000600706010 347829438 /nfs/dbraw/zinc/82/94/38/347829438.db2.gz CDHNCSQKRJYASI-CXUOOODFSA-N 1 3 297.446 3.121 20 30 CGEDHO C[C@H]1CC[C@@H](NC2CCC(C#N)(c3ccccc3)CC2)C[NH2+]1 ZINC000600711120 347829676 /nfs/dbraw/zinc/82/96/76/347829676.db2.gz RCWJIWFORNYZBU-WEOZKBJRSA-N 1 3 297.446 3.121 20 30 CGEDHO C[C@@H](NCC[C@H]([NH3+])Cc1ccccc1)c1ccc(C#N)cc1 ZINC000602020475 347933925 /nfs/dbraw/zinc/93/39/25/347933925.db2.gz MALWWUJUUGCOKR-BEFAXECRSA-N 1 3 293.414 3.169 20 30 CGEDHO C=C(C)CN(CC)CC(C)C[N@H+](CC)CC(=C)C ZINC000605572768 348162885 /nfs/dbraw/zinc/16/28/85/348162885.db2.gz NGKSBOKNKJGBLT-UHFFFAOYSA-N 1 3 252.446 3.419 20 30 CGEDHO C=C(C)CN(CC)CC(C)C[N@@H+](CC)CC(=C)C ZINC000605572768 348162887 /nfs/dbraw/zinc/16/28/87/348162887.db2.gz NGKSBOKNKJGBLT-UHFFFAOYSA-N 1 3 252.446 3.419 20 30 CGEDHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000414188608 235358817 /nfs/dbraw/zinc/35/88/17/235358817.db2.gz QMGOQRPCEUFHNG-UONOGXRCSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000414188608 235358820 /nfs/dbraw/zinc/35/88/20/235358820.db2.gz QMGOQRPCEUFHNG-UONOGXRCSA-N 1 3 289.398 3.080 20 30 CGEDHO CC[C@H]([NH2+]CC1(N)CCCCC1)c1ccc(C#N)cc1 ZINC000423174330 372003888 /nfs/dbraw/zinc/00/38/88/372003888.db2.gz AJVGHDFMUUGCSQ-INIZCTEOSA-N 1 3 271.408 3.261 20 30 CGEDHO C=CCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159033070 372100986 /nfs/dbraw/zinc/10/09/86/372100986.db2.gz AAFIGHYOYUUSKK-HNNXBMFYSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159033070 372100991 /nfs/dbraw/zinc/10/09/91/372100991.db2.gz AAFIGHYOYUUSKK-HNNXBMFYSA-N 1 3 250.430 3.149 20 30 CGEDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCCC#N)CC1 ZINC000159067191 372103778 /nfs/dbraw/zinc/10/37/78/372103778.db2.gz FVVHLMPZFDPXTC-MRXNPFEDSA-N 1 3 277.456 3.267 20 30 CGEDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCCC#N)CC1 ZINC000159067191 372103779 /nfs/dbraw/zinc/10/37/79/372103779.db2.gz FVVHLMPZFDPXTC-MRXNPFEDSA-N 1 3 277.456 3.267 20 30 CGEDHO C=CCC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000178684395 373803774 /nfs/dbraw/zinc/80/37/74/373803774.db2.gz HFXVNLBBQGGUAF-JZXOWHBKSA-N 1 3 294.483 3.210 20 30 CGEDHO N#C[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000335562048 375330453 /nfs/dbraw/zinc/33/04/53/375330453.db2.gz OIAJSARXQKLQQZ-ZBFHGGJFSA-N 1 3 275.440 3.065 20 30 CGEDHO N#C[C@H]1CCC[C@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000192932013 375804718 /nfs/dbraw/zinc/80/47/18/375804718.db2.gz IJTNNKLLHPFDLH-HOCLYGCPSA-N 1 3 275.440 3.065 20 30 CGEDHO N#C[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000192932013 375804722 /nfs/dbraw/zinc/80/47/22/375804722.db2.gz IJTNNKLLHPFDLH-HOCLYGCPSA-N 1 3 275.440 3.065 20 30 CGEDHO C=C(C)CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000516513565 375821198 /nfs/dbraw/zinc/82/11/98/375821198.db2.gz ZHOCPFFCGDRWOA-OAHLLOKOSA-N 1 3 278.465 3.386 20 30 CGEDHO C=C(C)CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000516513565 375821202 /nfs/dbraw/zinc/82/12/02/375821202.db2.gz ZHOCPFFCGDRWOA-OAHLLOKOSA-N 1 3 278.465 3.386 20 30 CGEDHO C=CCOc1ccccc1C[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000248151065 377271443 /nfs/dbraw/zinc/27/14/43/377271443.db2.gz QTSXYPRWUFRFSS-DOTOQJQBSA-N 1 3 288.435 3.071 20 30 CGEDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353268315 380199690 /nfs/dbraw/zinc/19/96/90/380199690.db2.gz REZNSAUSJSRTPL-JZXOWHBKSA-N 1 3 283.419 3.008 20 30 CGEDHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(C#N)cc1 ZINC000423374993 533450147 /nfs/dbraw/zinc/45/01/47/533450147.db2.gz INNKQFAHJDMCMT-CYBMUJFWSA-N 1 3 277.371 3.012 20 30 CGEDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCC1(C#N)CCCCC1)C2 ZINC000411721229 392987161 /nfs/dbraw/zinc/98/71/61/392987161.db2.gz RVONVJCMIKIMGZ-SJPCQFCGSA-N 1 3 289.467 3.408 20 30 CGEDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCC1(C#N)CCCCC1)C2 ZINC000411721229 392987166 /nfs/dbraw/zinc/98/71/66/392987166.db2.gz RVONVJCMIKIMGZ-SJPCQFCGSA-N 1 3 289.467 3.408 20 30 CGEDHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249374 393316173 /nfs/dbraw/zinc/31/61/73/393316173.db2.gz MLJMUVFINADHJX-YJBOKZPZSA-N 1 3 283.419 3.083 20 30 CGEDHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249374 393316174 /nfs/dbraw/zinc/31/61/74/393316174.db2.gz MLJMUVFINADHJX-YJBOKZPZSA-N 1 3 283.419 3.083 20 30 CGEDHO CCC#C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000680401216 543708761 /nfs/dbraw/zinc/70/87/61/543708761.db2.gz JNMMSHYIRPCZDF-JYJNAYRXSA-N 1 3 262.441 3.031 20 30 CGEDHO C[C@H](CC[NH+](C)C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360837728 267150092 /nfs/dbraw/zinc/15/00/92/267150092.db2.gz RBDRICJRCOOSEW-KDOFPFPSSA-N 1 3 285.435 3.256 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000368564892 267186485 /nfs/dbraw/zinc/18/64/85/267186485.db2.gz XGUSFFSTHXGMKV-ARFHVFGLSA-N 1 3 250.430 3.338 20 30 CGEDHO C=CC[C@@H](C)[C@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000159607798 277880124 /nfs/dbraw/zinc/88/01/24/277880124.db2.gz ONTVUNCWAZNEJS-OLZOCXBDSA-N 1 3 252.446 3.486 20 30 CGEDHO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185895708 329334773 /nfs/dbraw/zinc/33/47/73/329334773.db2.gz WLHWAMKJPGBLSG-MWDXBVQZSA-N 1 3 289.467 3.311 20 30 CGEDHO C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185895708 329334774 /nfs/dbraw/zinc/33/47/74/329334774.db2.gz WLHWAMKJPGBLSG-MWDXBVQZSA-N 1 3 289.467 3.311 20 30 CGEDHO C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185895708 329334775 /nfs/dbraw/zinc/33/47/75/329334775.db2.gz WLHWAMKJPGBLSG-MWDXBVQZSA-N 1 3 289.467 3.311 20 30 CGEDHO N#CCCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248413228 334300796 /nfs/dbraw/zinc/30/07/96/334300796.db2.gz LBKWXSMZWFVPFN-GBESFXJTSA-N 1 3 297.446 3.180 20 30 CGEDHO N#CCc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000342695738 335186036 /nfs/dbraw/zinc/18/60/36/335186036.db2.gz PVPBXGWBLPBJQI-UHFFFAOYSA-N 1 3 297.446 3.060 20 30 CGEDHO CCCCCCC[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000799736017 620304003 /nfs/dbraw/zinc/30/40/03/620304003.db2.gz GDKTWZUPCYPIKZ-QGZVFWFLSA-N 1 3 297.531 3.351 20 30 CGEDHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902818731 621454088 /nfs/dbraw/zinc/45/40/88/621454088.db2.gz POFNPEJVXFZXSA-XKQJLSEDSA-N 1 3 271.408 3.082 20 30 CGEDHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902818731 621454093 /nfs/dbraw/zinc/45/40/93/621454093.db2.gz POFNPEJVXFZXSA-XKQJLSEDSA-N 1 3 271.408 3.082 20 30 CGEDHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902818729 621454805 /nfs/dbraw/zinc/45/48/05/621454805.db2.gz POFNPEJVXFZXSA-JQFCIGGWSA-N 1 3 271.408 3.082 20 30 CGEDHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902818729 621454812 /nfs/dbraw/zinc/45/48/12/621454812.db2.gz POFNPEJVXFZXSA-JQFCIGGWSA-N 1 3 271.408 3.082 20 30 CGEDHO C=CCC1([NH2+]Cc2cc3c(s2)CCNC3)CCCC1 ZINC000873211807 634285840 /nfs/dbraw/zinc/28/58/40/634285840.db2.gz BRBTXPSFKWWOHH-UHFFFAOYSA-N 1 3 276.449 3.372 20 30 CGEDHO C=CCCSCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925710329 638574950 /nfs/dbraw/zinc/57/49/50/638574950.db2.gz WPUFHDYRGZIVQY-CVEARBPZSA-N 1 3 282.497 3.054 20 30 CGEDHO CC[N@@H+]1CC[C@H](N(C)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930000817 638967435 /nfs/dbraw/zinc/96/74/35/638967435.db2.gz RZKYQYIWDFNZJK-LPHOPBHVSA-N 1 3 299.462 3.337 20 30 CGEDHO CC[N@H+]1CC[C@H](N(C)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930000817 638967437 /nfs/dbraw/zinc/96/74/37/638967437.db2.gz RZKYQYIWDFNZJK-LPHOPBHVSA-N 1 3 299.462 3.337 20 30 CGEDHO Cc1ccc(NC(=[NH2+])NCCN(C(C)C)C(C)C)cc1C ZINC000303709008 640839297 /nfs/dbraw/zinc/83/92/97/640839297.db2.gz NMQXOPLROBDPAY-UHFFFAOYSA-N 1 3 290.455 3.149 20 30 CGEDHO CCCCCCCCCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000385106541 799421368 /nfs/dbraw/zinc/42/13/68/799421368.db2.gz RDZTYJBGHLXLHU-GOSISDBHSA-N 1 3 295.515 3.107 20 30 CGEDHO C[C@]12CN(CCCCC#N)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702261008 799906612 /nfs/dbraw/zinc/90/66/12/799906612.db2.gz GTLUHFPYBXNOAF-RBUKOAKNSA-N 1 3 297.446 3.134 20 30 CGEDHO C[C@]12CN(CCCCC#N)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702261008 799906616 /nfs/dbraw/zinc/90/66/16/799906616.db2.gz GTLUHFPYBXNOAF-RBUKOAKNSA-N 1 3 297.446 3.134 20 30 CGEDHO C=CCCCCCC[C@H](O)C[NH2+]CC1(N)CCCCC1 ZINC001245997134 804094939 /nfs/dbraw/zinc/09/49/39/804094939.db2.gz XABCBINRFKCQAL-INIZCTEOSA-N 1 3 282.472 3.125 20 30 CGEDHO C=CCCCCCC[C@H](O)CNCC1([NH3+])CCCCC1 ZINC001245997134 804094949 /nfs/dbraw/zinc/09/49/49/804094949.db2.gz XABCBINRFKCQAL-INIZCTEOSA-N 1 3 282.472 3.125 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN[C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001245999310 804096084 /nfs/dbraw/zinc/09/60/84/804096084.db2.gz DVYLGZSMAUVDPZ-ZJPYXAASSA-N 1 3 296.499 3.076 20 30 CGEDHO CCCCCCCC[C@@H](O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246034388 804103111 /nfs/dbraw/zinc/10/31/11/804103111.db2.gz XCSKOWLHGFVIAP-QZTJIDSGSA-N 1 3 296.499 3.173 20 30 CGEDHO CCCCCCCC[C@@H](CC)[NH2+][C@]12C[C@H]1CNC2 ZINC001246135996 804160200 /nfs/dbraw/zinc/16/02/00/804160200.db2.gz UGHJOIKELUPJCU-XHSDSOJGSA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCC[C@H](CC)[NH2+][C@H]1CNCC12CC2 ZINC001246136716 804160608 /nfs/dbraw/zinc/16/06/08/804160608.db2.gz XRJZBVLTIBGRAX-GJZGRUSLSA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCC[C@@H](CCC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246419372 804328241 /nfs/dbraw/zinc/32/82/41/804328241.db2.gz UMCRQGBMCBZNKX-CVEARBPZSA-N 1 3 299.503 3.088 20 30 CGEDHO CCCCCCCC[C@H](CC)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246643566 804470732 /nfs/dbraw/zinc/47/07/32/804470732.db2.gz PCJNRTZLBGXOMW-ZWKOTPCHSA-N 1 3 295.515 3.153 20 30 CGEDHO CNC[C@H]1CCC[N@@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246937973 804609073 /nfs/dbraw/zinc/60/90/73/804609073.db2.gz KUCCHPCTRSJQPF-CTWPCTMYSA-N 1 3 297.446 3.268 20 30 CGEDHO CNC[C@H]1CCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246937973 804609076 /nfs/dbraw/zinc/60/90/76/804609076.db2.gz KUCCHPCTRSJQPF-CTWPCTMYSA-N 1 3 297.446 3.268 20 30 CGEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCN1CCCC[C@H]1C ZINC001171182045 808002601 /nfs/dbraw/zinc/00/26/01/808002601.db2.gz RZUMCSGUBDTUBA-IAGOWNOFSA-N 1 3 299.462 3.343 20 30 CGEDHO C[C@@H](CCCC#N)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001172488547 808349237 /nfs/dbraw/zinc/34/92/37/808349237.db2.gz NGJFGGTURZLFIF-HNNXBMFYSA-N 1 3 277.456 3.455 20 30 CGEDHO C=CCCCCCCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC001205296429 812938282 /nfs/dbraw/zinc/93/82/82/812938282.db2.gz PETIEAWBYLODMP-HOTGVXAUSA-N 1 3 252.446 3.430 20 30 CGEDHO C=CCCCCCCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC001205296429 812938289 /nfs/dbraw/zinc/93/82/89/812938289.db2.gz PETIEAWBYLODMP-HOTGVXAUSA-N 1 3 252.446 3.430 20 30 CGEDHO C[C@H]1CCN(Cc2cc(C#N)ccc2Cl)CC[C@@H]1C[NH3+] ZINC001205627641 813033706 /nfs/dbraw/zinc/03/37/06/813033706.db2.gz RFKQQNKPGGXPIT-GXTWGEPZSA-N 1 3 291.826 3.018 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001206153764 813216309 /nfs/dbraw/zinc/21/63/09/813216309.db2.gz FNGKDBVONFWEIE-OAGGEKHMSA-N 1 3 266.404 3.050 20 30 CGEDHO CCN(CCC#N)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207290336 813536889 /nfs/dbraw/zinc/53/68/89/813536889.db2.gz AEGKIQIUKOGLFW-UHFFFAOYSA-N 1 3 285.435 3.134 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001208178829 813730817 /nfs/dbraw/zinc/73/08/17/813730817.db2.gz XQXNSCQABRRWAN-QZTJIDSGSA-N 1 3 274.452 3.317 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC001208178829 813730821 /nfs/dbraw/zinc/73/08/21/813730821.db2.gz XQXNSCQABRRWAN-QZTJIDSGSA-N 1 3 274.452 3.317 20 30 CGEDHO C#CCCCN1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209267801 813989816 /nfs/dbraw/zinc/98/98/16/813989816.db2.gz KNPRUCUVCCSHAD-UHFFFAOYSA-N 1 3 288.410 3.135 20 30 CGEDHO C#CCCCN1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209267801 813989819 /nfs/dbraw/zinc/98/98/19/813989819.db2.gz KNPRUCUVCCSHAD-UHFFFAOYSA-N 1 3 288.410 3.135 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@]3(C2)CNCC[C@H]3F)CC1 ZINC001235411028 819089463 /nfs/dbraw/zinc/08/94/63/819089463.db2.gz ZSFUCMXGXZDUCW-KZNAEPCWSA-N 1 3 292.442 3.313 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(C2)CNCC[C@H]3F)CC1 ZINC001235411028 819089470 /nfs/dbraw/zinc/08/94/70/819089470.db2.gz ZSFUCMXGXZDUCW-KZNAEPCWSA-N 1 3 292.442 3.313 20 30 CGEDHO N#Cc1cccc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236372727 819441760 /nfs/dbraw/zinc/44/17/60/819441760.db2.gz CYIAIVIBYUSBRJ-SFHVURJKSA-N 1 3 297.446 3.302 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001561052447 938291977 /nfs/dbraw/zinc/29/19/77/938291977.db2.gz BEJGMXBHCLVRHO-CAOSSQGBSA-N 1 3 250.430 3.051 20 30 CGEDHO Cc1cc(C#N)ccc1CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001579553779 962635555 /nfs/dbraw/zinc/63/55/55/962635555.db2.gz BLVSFDARXXIMFQ-SFHVURJKSA-N 1 3 285.435 3.064 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1 ZINC000651706047 398272067 /nfs/dbraw/zinc/27/20/67/398272067.db2.gz QGWFMFPCKFONEL-BRWVUGGUSA-N 1 3 264.457 3.441 20 30 CGEDHO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623521165 349825845 /nfs/dbraw/zinc/82/58/45/349825845.db2.gz MBDFSCUULQWJJV-MRXNPFEDSA-N 1 3 288.435 3.214 20 30 CGEDHO C=CCOc1cccc(C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000623654534 349856689 /nfs/dbraw/zinc/85/66/89/349856689.db2.gz BVMRKYJNBDFULG-KRWDZBQOSA-N 1 3 288.435 3.073 20 30 CGEDHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000593320708 347062174 /nfs/dbraw/zinc/06/21/74/347062174.db2.gz DNUYLZBLNNJXGS-CQSZACIVSA-N 1 3 279.387 3.128 20 30 CGEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000091587626 345818585 /nfs/dbraw/zinc/81/85/85/345818585.db2.gz LCENPBOACRUSPU-HOTGVXAUSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@H](C)[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000091587626 345818586 /nfs/dbraw/zinc/81/85/86/345818586.db2.gz LCENPBOACRUSPU-HOTGVXAUSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@H](C)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000091587626 345818589 /nfs/dbraw/zinc/81/85/89/345818589.db2.gz LCENPBOACRUSPU-HOTGVXAUSA-N 1 3 252.446 3.395 20 30 CGEDHO C[C@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459734669 346624962 /nfs/dbraw/zinc/62/49/62/346624962.db2.gz SLTGRGKIYQQQHC-FUHWJXTLSA-N 1 3 299.462 3.426 20 30 CGEDHO C[C@H](NCC(C)(C)CC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459734669 346624965 /nfs/dbraw/zinc/62/49/65/346624965.db2.gz SLTGRGKIYQQQHC-FUHWJXTLSA-N 1 3 299.462 3.426 20 30 CGEDHO C[C@H](NCC(C)(C)CC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459734669 346624967 /nfs/dbraw/zinc/62/49/67/346624967.db2.gz SLTGRGKIYQQQHC-FUHWJXTLSA-N 1 3 299.462 3.426 20 30 CGEDHO C=CCCSCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000596649742 347498532 /nfs/dbraw/zinc/49/85/32/347498532.db2.gz GNHNKLJXSHJQHC-CABCVRRESA-N 1 3 262.422 3.030 20 30 CGEDHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(C#N)c(F)c1 ZINC000599069293 347714018 /nfs/dbraw/zinc/71/40/18/347714018.db2.gz FKFNZXZYXKICKQ-KBPBESRZSA-N 1 3 289.398 3.080 20 30 CGEDHO CC[NH+](CC)CCC[C@@H](C)NCc1cccc(F)c1C#N ZINC000601999032 347931843 /nfs/dbraw/zinc/93/18/43/347931843.db2.gz RTZREBPYAQECKK-CQSZACIVSA-N 1 3 291.414 3.297 20 30 CGEDHO C=CCC[C@@H](CC)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635006561 351624489 /nfs/dbraw/zinc/62/44/89/351624489.db2.gz LYILEXSSGFJFMR-DLBZAZTESA-N 1 3 260.425 3.281 20 30 CGEDHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000414196843 235360920 /nfs/dbraw/zinc/36/09/20/235360920.db2.gz VKYQMXJSYRCGBE-ZIAGYGMSSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000414196843 235360923 /nfs/dbraw/zinc/36/09/23/235360923.db2.gz VKYQMXJSYRCGBE-ZIAGYGMSSA-N 1 3 289.398 3.080 20 30 CGEDHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442773370 373075553 /nfs/dbraw/zinc/07/55/53/373075553.db2.gz CJDCJZAXHJGYCI-QAPCUYQASA-N 1 3 285.435 3.309 20 30 CGEDHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442773370 373075559 /nfs/dbraw/zinc/07/55/59/373075559.db2.gz CJDCJZAXHJGYCI-QAPCUYQASA-N 1 3 285.435 3.309 20 30 CGEDHO CCCN1CC[C@@H](C[NH2+][C@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531267 373445186 /nfs/dbraw/zinc/44/51/86/373445186.db2.gz QNUSASIMSBUDSK-FUHWJXTLSA-N 1 3 285.435 3.331 20 30 CGEDHO N#CCCCC[NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000180163573 373971977 /nfs/dbraw/zinc/97/19/77/373971977.db2.gz LBKWXSMZWFVPFN-OTWHNJEPSA-N 1 3 297.446 3.180 20 30 CGEDHO C=C(C)CC[NH2+][C@H]1CCCC[C@H]1CN(CC)CC ZINC000509120998 375772953 /nfs/dbraw/zinc/77/29/53/375772953.db2.gz HOBGTPNUFBXLMT-HOTGVXAUSA-N 1 3 252.446 3.443 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000249280026 377485025 /nfs/dbraw/zinc/48/50/25/377485025.db2.gz NDCZQCWVLFROHS-FHLIZLRMSA-N 1 3 283.419 3.035 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000249280026 377485032 /nfs/dbraw/zinc/48/50/32/377485032.db2.gz NDCZQCWVLFROHS-FHLIZLRMSA-N 1 3 283.419 3.035 20 30 CGEDHO C=CCCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000570038345 377532194 /nfs/dbraw/zinc/53/21/94/377532194.db2.gz YNLBWYUQBQYKQR-INIZCTEOSA-N 1 3 250.430 3.151 20 30 CGEDHO C=CCCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000570038345 377532204 /nfs/dbraw/zinc/53/22/04/377532204.db2.gz YNLBWYUQBQYKQR-INIZCTEOSA-N 1 3 250.430 3.151 20 30 CGEDHO C=CCCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000570038345 377532214 /nfs/dbraw/zinc/53/22/14/377532214.db2.gz YNLBWYUQBQYKQR-INIZCTEOSA-N 1 3 250.430 3.151 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000414310117 380212578 /nfs/dbraw/zinc/21/25/78/380212578.db2.gz WBBRMFIYEPLVIN-QYZOEREBSA-N 1 3 284.447 3.390 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414310117 380212580 /nfs/dbraw/zinc/21/25/80/380212580.db2.gz WBBRMFIYEPLVIN-QYZOEREBSA-N 1 3 284.447 3.390 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000414310117 380212583 /nfs/dbraw/zinc/21/25/83/380212583.db2.gz WBBRMFIYEPLVIN-QYZOEREBSA-N 1 3 284.447 3.390 20 30 CGEDHO C=CCN(CC[C@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000420298284 380846067 /nfs/dbraw/zinc/84/60/67/380846067.db2.gz DWBMXWOLUUJFPN-CQSZACIVSA-N 1 3 264.438 3.126 20 30 CGEDHO C[C@@H]1C[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000360659596 381608389 /nfs/dbraw/zinc/60/83/89/381608389.db2.gz ZAHSTNSQRKFZIZ-LSBZLQRGSA-N 1 3 297.446 3.398 20 30 CGEDHO C[C@@H]1C[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000360659596 381608397 /nfs/dbraw/zinc/60/83/97/381608397.db2.gz ZAHSTNSQRKFZIZ-LSBZLQRGSA-N 1 3 297.446 3.398 20 30 CGEDHO C=CCN(CCC1CC[NH2+]CC1)Cc1cccs1 ZINC000359206972 393540951 /nfs/dbraw/zinc/54/09/51/393540951.db2.gz HVBDGLNDWMKLBI-UHFFFAOYSA-N 1 3 264.438 3.126 20 30 CGEDHO Cc1cc(CNCc2ccc(C[NH+](C)C)cc2)ccc1C#N ZINC000443991301 393780547 /nfs/dbraw/zinc/78/05/47/393780547.db2.gz VNERMFMWLGIFSG-UHFFFAOYSA-N 1 3 293.414 3.218 20 30 CGEDHO C=CCC[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165310 419631690 /nfs/dbraw/zinc/63/16/90/419631690.db2.gz IKOYGWQAFHZOPJ-INIZCTEOSA-N 1 3 287.451 3.238 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000368564894 267186457 /nfs/dbraw/zinc/18/64/57/267186457.db2.gz XGUSFFSTHXGMKV-JYJNAYRXSA-N 1 3 250.430 3.338 20 30 CGEDHO CC[N@@H+]1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000341707612 276230729 /nfs/dbraw/zinc/23/07/29/276230729.db2.gz NGQFEDXVEKQCEO-MDASCCDHSA-N 1 3 297.446 3.256 20 30 CGEDHO CC[N@H+]1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000341707612 276230730 /nfs/dbraw/zinc/23/07/30/276230730.db2.gz NGQFEDXVEKQCEO-MDASCCDHSA-N 1 3 297.446 3.256 20 30 CGEDHO C[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)CN1CCCCC1 ZINC000353383240 278287123 /nfs/dbraw/zinc/28/71/23/278287123.db2.gz IREXUOUCHMDGAR-KXBFYZLASA-N 1 3 297.446 3.257 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247977541 278306079 /nfs/dbraw/zinc/30/60/79/278306079.db2.gz HZDJQWPMSQSDIB-JLSDUUJJSA-N 1 3 283.419 3.035 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247977541 278306080 /nfs/dbraw/zinc/30/60/80/278306080.db2.gz HZDJQWPMSQSDIB-JLSDUUJJSA-N 1 3 283.419 3.035 20 30 CGEDHO C=CCC[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)C1CC1 ZINC000120313066 328344482 /nfs/dbraw/zinc/34/44/82/328344482.db2.gz XEXWONRVCCKXIN-GDBMZVCRSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CCCC[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000398086884 326871129 /nfs/dbraw/zinc/87/11/29/326871129.db2.gz VMYFWMSLXHTVSV-OAHLLOKOSA-N 1 3 273.424 3.385 20 30 CGEDHO C=CCC[C@@H](NCCC1=CC[NH2+]CC1)c1ccco1 ZINC000423543685 330211146 /nfs/dbraw/zinc/21/11/46/330211146.db2.gz VIFBWWDPILQNIX-OAHLLOKOSA-N 1 3 260.381 3.186 20 30 CGEDHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442706414 330779995 /nfs/dbraw/zinc/77/99/95/330779995.db2.gz DGQZCDCGCDSFBY-CRAIPNDOSA-N 1 3 285.435 3.310 20 30 CGEDHO CC(C)(CC#N)CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000459739791 331297282 /nfs/dbraw/zinc/29/72/82/331297282.db2.gz ZHTVQDNKSLFNBY-UHFFFAOYSA-N 1 3 299.462 3.223 20 30 CGEDHO CC(C)[NH+](CCCNCC(C)(C)CCC#N)C(C)C ZINC000173571458 335136462 /nfs/dbraw/zinc/13/64/62/335136462.db2.gz JZYCNIRXFJNLHG-UHFFFAOYSA-N 1 3 267.461 3.415 20 30 CGEDHO C[C@H](NCCC1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000358559860 533842609 /nfs/dbraw/zinc/84/26/09/533842609.db2.gz DPLUFDPVRWYNCF-ZDUSSCGKSA-N 1 3 289.398 3.080 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000930601560 619028094 /nfs/dbraw/zinc/02/80/94/619028094.db2.gz IKWMVFLEMLNYQW-LJQANCHMSA-N 1 3 297.446 3.093 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000930601560 619028097 /nfs/dbraw/zinc/02/80/97/619028097.db2.gz IKWMVFLEMLNYQW-LJQANCHMSA-N 1 3 297.446 3.093 20 30 CGEDHO C=CCCSCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903201690 621624926 /nfs/dbraw/zinc/62/49/26/621624926.db2.gz ZVMYWHHICDSIGX-VHRNVKJDSA-N 1 3 280.481 3.043 20 30 CGEDHO C=CCCSCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903201690 621624929 /nfs/dbraw/zinc/62/49/29/621624929.db2.gz ZVMYWHHICDSIGX-VHRNVKJDSA-N 1 3 280.481 3.043 20 30 CGEDHO C=CC[NH+]1CCC(N[C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000765832541 627274285 /nfs/dbraw/zinc/27/42/85/627274285.db2.gz HJQRKBFBRIYXTR-LBPRGKRZSA-N 1 3 279.815 3.036 20 30 CGEDHO CCCCCCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000863539874 629600636 /nfs/dbraw/zinc/60/06/36/629600636.db2.gz MCRJGBVKSPGCGP-ZDUSSCGKSA-N 1 3 263.429 3.470 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NCCC[NH+]1CCC(C)CC1 ZINC000924577602 638365844 /nfs/dbraw/zinc/36/58/44/638365844.db2.gz KGBPXAAEYRFQHR-HNNXBMFYSA-N 1 3 265.445 3.026 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)[NH2+]CCCN1CCC(C)CC1 ZINC000924577602 638365849 /nfs/dbraw/zinc/36/58/49/638365849.db2.gz KGBPXAAEYRFQHR-HNNXBMFYSA-N 1 3 265.445 3.026 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@H+](C)CCCN1CCCC1 ZINC001253239192 806190311 /nfs/dbraw/zinc/19/03/11/806190311.db2.gz KUUOEBVJCXQCTQ-SFHVURJKSA-N 1 3 296.499 3.292 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@@H+](C)CCCN1CCCC1 ZINC001253239192 806190316 /nfs/dbraw/zinc/19/03/16/806190316.db2.gz KUUOEBVJCXQCTQ-SFHVURJKSA-N 1 3 296.499 3.292 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CCNC[C@@H]1C ZINC001245983356 804092983 /nfs/dbraw/zinc/09/29/83/804092983.db2.gz IOYPSVJQMCKXQA-OKZBNKHCSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@@H]1CC[NH2+]C[C@@H]1C ZINC001245983356 804092992 /nfs/dbraw/zinc/09/29/92/804092992.db2.gz IOYPSVJQMCKXQA-OKZBNKHCSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CCNC[C@H]1C ZINC001245983355 804093211 /nfs/dbraw/zinc/09/32/11/804093211.db2.gz IOYPSVJQMCKXQA-FGTMMUONSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@@H]1CC[NH2+]C[C@H]1C ZINC001245983355 804093218 /nfs/dbraw/zinc/09/32/18/804093218.db2.gz IOYPSVJQMCKXQA-FGTMMUONSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCCCCCCCC[C@H](O)CNC[C@@]1(C)CC[NH2+]C1 ZINC001245985325 804093939 /nfs/dbraw/zinc/09/39/39/804093939.db2.gz AYKRCISZFBZQEC-ROUUACIJSA-N 1 3 298.515 3.467 20 30 CGEDHO C=CCCCCCC[C@H](O)CNC[C@H]([NH3+])c1ccccc1 ZINC001245994789 804095983 /nfs/dbraw/zinc/09/59/83/804095983.db2.gz PRLOKHUGBBSSSW-ROUUACIJSA-N 1 3 290.451 3.164 20 30 CGEDHO CCCCCCCCCC[C@@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246561569 804410525 /nfs/dbraw/zinc/41/05/25/804410525.db2.gz WFFYXKZLYRPYGF-BRWVUGGUSA-N 1 3 284.488 3.300 20 30 CGEDHO CCCCCCCCCC[C@@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246561569 804410528 /nfs/dbraw/zinc/41/05/28/804410528.db2.gz WFFYXKZLYRPYGF-BRWVUGGUSA-N 1 3 284.488 3.300 20 30 CGEDHO CCCCCCCCCC[C@@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246561569 804410531 /nfs/dbraw/zinc/41/05/31/804410531.db2.gz WFFYXKZLYRPYGF-BRWVUGGUSA-N 1 3 284.488 3.300 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3C[C@@H](CN)CC[C@H]3C)C[C@H](C1)C2 ZINC001246592777 804435692 /nfs/dbraw/zinc/43/56/92/804435692.db2.gz QREVKCVDTTVVFJ-DNLWUEFJSA-N 1 3 262.441 3.181 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](CN)CC[C@H]3C)C[C@H](C1)C2 ZINC001246592777 804435694 /nfs/dbraw/zinc/43/56/94/804435694.db2.gz QREVKCVDTTVVFJ-DNLWUEFJSA-N 1 3 262.441 3.181 20 30 CGEDHO CCCCCCCC[C@H](CC)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246659564 804484199 /nfs/dbraw/zinc/48/41/99/804484199.db2.gz SZPSLEYJGMNFFW-CAOSSQGBSA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246659564 804484201 /nfs/dbraw/zinc/48/42/01/804484201.db2.gz SZPSLEYJGMNFFW-CAOSSQGBSA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCC[N@H+](CC)C1C[C@@H]2C=C[C@H](C1)N2 ZINC001246769478 804503243 /nfs/dbraw/zinc/50/32/43/804503243.db2.gz KSEQXPCALMYYJS-XYPWUTKMSA-N 1 3 250.430 3.338 20 30 CGEDHO CCCCCCC[N@@H+](CC)C1C[C@@H]2C=C[C@H](C1)N2 ZINC001246769478 804503251 /nfs/dbraw/zinc/50/32/51/804503251.db2.gz KSEQXPCALMYYJS-XYPWUTKMSA-N 1 3 250.430 3.338 20 30 CGEDHO CCCCCCC[C@H](C)[N@H+](CCOC)C1CCNCC1 ZINC001246838629 804546596 /nfs/dbraw/zinc/54/65/96/804546596.db2.gz ZDWMJDBIEPFAEJ-INIZCTEOSA-N 1 3 284.488 3.436 20 30 CGEDHO CCCCCCC[C@H](C)[N@@H+](CCOC)C1CCNCC1 ZINC001246838629 804546598 /nfs/dbraw/zinc/54/65/98/804546598.db2.gz ZDWMJDBIEPFAEJ-INIZCTEOSA-N 1 3 284.488 3.436 20 30 CGEDHO C=CCCCC[N@@H+](C)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246868606 804571507 /nfs/dbraw/zinc/57/15/07/804571507.db2.gz BFNRMMKWUYVEIZ-LSDHHAIUSA-N 1 3 252.446 3.441 20 30 CGEDHO C=CCCCC[N@H+](C)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246868606 804571512 /nfs/dbraw/zinc/57/15/12/804571512.db2.gz BFNRMMKWUYVEIZ-LSDHHAIUSA-N 1 3 252.446 3.441 20 30 CGEDHO CC1(C)C[C@@H]([NH+]2CCC(C#Cc3ccccc3)CC2)CCN1 ZINC001246919566 804600148 /nfs/dbraw/zinc/60/01/48/804600148.db2.gz BJWSAIWOQASRBG-IBGZPJMESA-N 1 3 296.458 3.281 20 30 CGEDHO CC1(C)C[C@@H](N2CCC(C#Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246919566 804600152 /nfs/dbraw/zinc/60/01/52/804600152.db2.gz BJWSAIWOQASRBG-IBGZPJMESA-N 1 3 296.458 3.281 20 30 CGEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCN1CCCC[C@@H]1C ZINC001171182046 808002346 /nfs/dbraw/zinc/00/23/46/808002346.db2.gz RZUMCSGUBDTUBA-IRXDYDNUSA-N 1 3 299.462 3.343 20 30 CGEDHO C#C[C@@](C)(CC)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171623457 808106852 /nfs/dbraw/zinc/10/68/52/808106852.db2.gz ZVBDVNBALBHSJX-INIZCTEOSA-N 1 3 250.430 3.029 20 30 CGEDHO CN(Cc1cccc(C#N)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130391 808187002 /nfs/dbraw/zinc/18/70/02/808187002.db2.gz OOZWEHBGJSKESX-BCDXTJNWSA-N 1 3 283.419 3.005 20 30 CGEDHO CN(Cc1cccc(C#N)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130391 808187006 /nfs/dbraw/zinc/18/70/06/808187006.db2.gz OOZWEHBGJSKESX-BCDXTJNWSA-N 1 3 283.419 3.005 20 30 CGEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCN1CCCC[C@H]1C ZINC001172292080 808217951 /nfs/dbraw/zinc/21/79/51/808217951.db2.gz CJDCGBQLSUOFJO-DLBZAZTESA-N 1 3 299.462 3.343 20 30 CGEDHO C[C@@H](CCCC#N)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001172493070 808353006 /nfs/dbraw/zinc/35/30/06/808353006.db2.gz VYQNDPLAQHDMKI-IRXDYDNUSA-N 1 3 289.467 3.479 20 30 CGEDHO CCCCCCC[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001201798487 811965935 /nfs/dbraw/zinc/96/59/35/811965935.db2.gz WPQSKLVKZGNNFV-HOTGVXAUSA-N 1 3 252.446 3.230 20 30 CGEDHO CCCCCCCN1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001201798487 811965939 /nfs/dbraw/zinc/96/59/39/811965939.db2.gz WPQSKLVKZGNNFV-HOTGVXAUSA-N 1 3 252.446 3.230 20 30 CGEDHO CCCCCCCCCN1CCN(CCC[NH+](C)C)CC1 ZINC001201846954 811970744 /nfs/dbraw/zinc/97/07/44/811970744.db2.gz PZLLHIXURYTFKN-UHFFFAOYSA-N 1 3 297.531 3.306 20 30 CGEDHO C=CCCCCCCCCN1CCN(CC[NH+](C)C)CC1 ZINC001209443524 814044245 /nfs/dbraw/zinc/04/42/45/814044245.db2.gz URMHTMSPMQCQSQ-UHFFFAOYSA-N 1 3 295.515 3.082 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2CCC[C@@](C)(C[NH3+])C2)CC1 ZINC001237055163 819654112 /nfs/dbraw/zinc/65/41/12/819654112.db2.gz ALGUEYMMYOWCJR-SJORKVTESA-N 1 3 262.441 3.350 20 30 CGEDHO Cc1cc(C#N)ccc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC001579554078 962640417 /nfs/dbraw/zinc/64/04/17/962640417.db2.gz MPJODGHQLJJKOF-PKOBYXMFSA-N 1 3 297.446 3.221 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000651721073 398275550 /nfs/dbraw/zinc/27/55/50/398275550.db2.gz RUKNOBUJMFSVGI-XMTFNYHQSA-N 1 3 294.483 3.210 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000591582577 346929967 /nfs/dbraw/zinc/92/99/67/346929967.db2.gz MCPQRVOZNAHFMV-WMZOPIPTSA-N 1 3 295.430 3.200 20 30 CGEDHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594924653 347230597 /nfs/dbraw/zinc/23/05/97/347230597.db2.gz KHOVEHRICRNFCK-QGZVFWFLSA-N 1 3 297.446 3.063 20 30 CGEDHO N#CC1(CNC2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000597215707 347556095 /nfs/dbraw/zinc/55/60/95/347556095.db2.gz LRFSZMZZWZHIGC-UHFFFAOYSA-N 1 3 298.434 3.114 20 30 CGEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123067 349981416 /nfs/dbraw/zinc/98/14/16/349981416.db2.gz FGLHPAUNRMQARZ-BRWVUGGUSA-N 1 3 264.457 3.443 20 30 CGEDHO CCCN1CC[C@H](C[NH2+][C@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531268 373446421 /nfs/dbraw/zinc/44/64/21/373446421.db2.gz QNUSASIMSBUDSK-SJLPKXTDSA-N 1 3 285.435 3.331 20 30 CGEDHO C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCN1 ZINC000335539301 375328468 /nfs/dbraw/zinc/32/84/68/375328468.db2.gz SKVQSKIGVKKYNK-IZIZEDOESA-N 1 3 297.446 3.121 20 30 CGEDHO C=C(C[NH2+]C1CCN(CCC)CC1)c1ccccc1 ZINC000211846409 376135225 /nfs/dbraw/zinc/13/52/25/376135225.db2.gz WFMCNDFFDUXISO-UHFFFAOYSA-N 1 3 258.409 3.164 20 30 CGEDHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000248919229 377429233 /nfs/dbraw/zinc/42/92/33/377429233.db2.gz WLHWAMKJPGBLSG-VVLHAWIVSA-N 1 3 289.467 3.311 20 30 CGEDHO C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248919229 377429240 /nfs/dbraw/zinc/42/92/40/377429240.db2.gz WLHWAMKJPGBLSG-VVLHAWIVSA-N 1 3 289.467 3.311 20 30 CGEDHO C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248919229 377429245 /nfs/dbraw/zinc/42/92/45/377429245.db2.gz WLHWAMKJPGBLSG-VVLHAWIVSA-N 1 3 289.467 3.311 20 30 CGEDHO C[NH+](C)CCCCCCCNCc1ccc(C#N)cc1F ZINC000269387038 378214893 /nfs/dbraw/zinc/21/48/93/378214893.db2.gz BGDXGXYXMBDTGN-UHFFFAOYSA-N 1 3 291.414 3.299 20 30 CGEDHO CN1CC[C@]2(C1)CCC[N@H+](CCC1(C#N)CCCCC1)C2 ZINC000595505860 378402299 /nfs/dbraw/zinc/40/22/99/378402299.db2.gz ZLQAJFUNABLPFL-SFHVURJKSA-N 1 3 289.467 3.268 20 30 CGEDHO CN1CC[C@]2(C1)CCC[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC000595505860 378402303 /nfs/dbraw/zinc/40/23/03/378402303.db2.gz ZLQAJFUNABLPFL-SFHVURJKSA-N 1 3 289.467 3.268 20 30 CGEDHO N#Cc1ccc(CNCCCCCCC[NH+]2CCCC2)o1 ZINC000266167972 190236436 /nfs/dbraw/zinc/23/64/36/190236436.db2.gz BCOJVTYOZZCWAB-UHFFFAOYSA-N 1 3 289.423 3.287 20 30 CGEDHO C=C(C)CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000351751674 379741670 /nfs/dbraw/zinc/74/16/70/379741670.db2.gz COMMEVJTNUDHIC-UHFFFAOYSA-N 1 3 273.424 3.196 20 30 CGEDHO C=C(C)CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000351751674 379741677 /nfs/dbraw/zinc/74/16/77/379741677.db2.gz COMMEVJTNUDHIC-UHFFFAOYSA-N 1 3 273.424 3.196 20 30 CGEDHO C[C@@H]1C[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000360659594 381608182 /nfs/dbraw/zinc/60/81/82/381608182.db2.gz ZAHSTNSQRKFZIZ-DKSSEZFCSA-N 1 3 297.446 3.398 20 30 CGEDHO C[C@@H]1C[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000360659594 381608165 /nfs/dbraw/zinc/60/81/65/381608165.db2.gz ZAHSTNSQRKFZIZ-DKSSEZFCSA-N 1 3 297.446 3.398 20 30 CGEDHO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000366866304 382322143 /nfs/dbraw/zinc/32/21/43/382322143.db2.gz AWLQWRKMNQJGQS-AEFFLSMTSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@@H](NCC1(CC#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366866304 382322149 /nfs/dbraw/zinc/32/21/49/382322149.db2.gz AWLQWRKMNQJGQS-AEFFLSMTSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@@H](NCC1(CC#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366866304 382322152 /nfs/dbraw/zinc/32/21/52/382322152.db2.gz AWLQWRKMNQJGQS-AEFFLSMTSA-N 1 3 297.446 3.180 20 30 CGEDHO Cc1cc(C#N)ccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000186316171 392782835 /nfs/dbraw/zinc/78/28/35/392782835.db2.gz LFXVFUCGLDULII-UHFFFAOYSA-N 1 3 299.462 3.421 20 30 CGEDHO CCCCN1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000037319127 173119010 /nfs/dbraw/zinc/11/90/10/173119010.db2.gz UCXXNEQDEASMHO-HNNXBMFYSA-N 1 3 285.435 3.473 20 30 CGEDHO C=CCOc1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000161510463 264288116 /nfs/dbraw/zinc/28/81/16/264288116.db2.gz LKQXFZMWMOTOAR-INMHGKMJSA-N 1 3 288.435 3.070 20 30 CGEDHO CC[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000423282095 288088282 /nfs/dbraw/zinc/08/82/82/288088282.db2.gz UVXMDHCSEPBYTE-ULQDDVLXSA-N 1 3 271.408 3.116 20 30 CGEDHO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000423129342 330171517 /nfs/dbraw/zinc/17/15/17/330171517.db2.gz QZUNZZLXJLYHPV-HRCADAONSA-N 1 3 277.456 3.217 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCN1CCCCC1 ZINC000425532143 534078884 /nfs/dbraw/zinc/07/88/84/534078884.db2.gz ILMANBACUUYNFI-INIZCTEOSA-N 1 3 285.435 3.427 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCN1CCCCC1 ZINC000425532143 534078891 /nfs/dbraw/zinc/07/88/91/534078891.db2.gz ILMANBACUUYNFI-INIZCTEOSA-N 1 3 285.435 3.427 20 30 CGEDHO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000333279881 534576710 /nfs/dbraw/zinc/57/67/10/534576710.db2.gz MGEOYRJOXUYVDB-TXQGORRRSA-N 1 3 297.446 3.250 20 30 CGEDHO C=CC[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000878411821 619424575 /nfs/dbraw/zinc/42/45/75/619424575.db2.gz OOOBWJHMOWGAMA-ZNMIVQPWSA-N 1 3 250.430 3.194 20 30 CGEDHO N#Cc1ccc(CN2CCCC[C@H]2C2(C[NH3+])CCC2)cc1 ZINC000903811509 621814243 /nfs/dbraw/zinc/81/42/43/621814243.db2.gz LQPCHIOCURVKBC-KRWDZBQOSA-N 1 3 283.419 3.042 20 30 CGEDHO C#CCCCCCC[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000877073196 634972574 /nfs/dbraw/zinc/97/25/74/634972574.db2.gz FHFQYIJYLWZSKR-HOTGVXAUSA-N 1 3 250.430 3.033 20 30 CGEDHO C#Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000809594901 630756306 /nfs/dbraw/zinc/75/63/06/630756306.db2.gz CMGBSQRARJHJGZ-ICSRJNTNSA-N 1 3 294.442 3.117 20 30 CGEDHO C#Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000809594901 630756307 /nfs/dbraw/zinc/75/63/07/630756307.db2.gz CMGBSQRARJHJGZ-ICSRJNTNSA-N 1 3 294.442 3.117 20 30 CGEDHO C#CCCCCCCN1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000876775603 634897573 /nfs/dbraw/zinc/89/75/73/634897573.db2.gz ZGLPOGUGIKASQY-QGZVFWFLSA-N 1 3 264.457 3.234 20 30 CGEDHO C#CCCCCCCN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000876775603 634897574 /nfs/dbraw/zinc/89/75/74/634897574.db2.gz ZGLPOGUGIKASQY-QGZVFWFLSA-N 1 3 264.457 3.234 20 30 CGEDHO C=CC[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccncc1 ZINC000925499128 638255950 /nfs/dbraw/zinc/25/59/50/638255950.db2.gz VWWKLPMAMLXPSK-OAGGEKHMSA-N 1 3 273.424 3.194 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000924750990 638399022 /nfs/dbraw/zinc/39/90/22/638399022.db2.gz HZIGGZHSWDAXIK-GJZGRUSLSA-N 1 3 279.472 3.415 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000924750990 638399048 /nfs/dbraw/zinc/39/90/48/638399048.db2.gz HZIGGZHSWDAXIK-GJZGRUSLSA-N 1 3 279.472 3.415 20 30 CGEDHO CC(C)CCN1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000926570866 638786791 /nfs/dbraw/zinc/78/67/91/638786791.db2.gz ZUBTWUWVVJNDLP-UHFFFAOYSA-N 1 3 265.445 3.026 20 30 CGEDHO C=CCCCCCC[C@@H](O)C[N@H+](C)CCCN1CCCC1 ZINC001253239188 806190414 /nfs/dbraw/zinc/19/04/14/806190414.db2.gz KUUOEBVJCXQCTQ-GOSISDBHSA-N 1 3 296.499 3.292 20 30 CGEDHO C=CCCCCCC[C@@H](O)C[N@@H+](C)CCCN1CCCC1 ZINC001253239188 806190419 /nfs/dbraw/zinc/19/04/19/806190419.db2.gz KUUOEBVJCXQCTQ-GOSISDBHSA-N 1 3 296.499 3.292 20 30 CGEDHO C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCCN(C)CC1 ZINC001254507257 806428297 /nfs/dbraw/zinc/42/82/97/806428297.db2.gz AFBLEWHWINYXHG-HOTGVXAUSA-N 1 3 288.435 3.386 20 30 CGEDHO C#CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716627528 800177394 /nfs/dbraw/zinc/17/73/94/800177394.db2.gz RFUAHZHRUKJRQF-UFYCRDLUSA-N 1 3 296.458 3.433 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN[C@H](CC)C[NH3+] ZINC001246000873 804097159 /nfs/dbraw/zinc/09/71/59/804097159.db2.gz MLEMUBBVCOGKRC-HZPDHXFCSA-N 1 3 272.477 3.205 20 30 CGEDHO CCCCCCCCCC[C@@H](O)C[NH2+]CCNC(C)C ZINC001246007663 804097301 /nfs/dbraw/zinc/09/73/01/804097301.db2.gz FHWCYUSAXRODGS-QGZVFWFLSA-N 1 3 286.504 3.466 20 30 CGEDHO CCCCCCCC[C@H](O)CN(CC)C[C@H]1CC[NH2+]C1 ZINC001246062590 804103897 /nfs/dbraw/zinc/10/38/97/804103897.db2.gz MNWMUXMMEHETFX-IRXDYDNUSA-N 1 3 284.488 3.029 20 30 CGEDHO C=C1C[C@@H]2CC(NC[C@@]3(F)CCCC[NH2+]C3)C[C@H](C1)C2 ZINC001246112019 804142881 /nfs/dbraw/zinc/14/28/81/804142881.db2.gz JYTCFNRDSUJKGL-FCLJQHQZSA-N 1 3 280.431 3.193 20 30 CGEDHO CCCCCCC[C@@H](CC)N[C@@H]1COCCC12C[NH2+]C2 ZINC001246137928 804161561 /nfs/dbraw/zinc/16/15/61/804161561.db2.gz KJSAVERRIITZGH-HZPDHXFCSA-N 1 3 282.472 3.094 20 30 CGEDHO CCCCCCC[C@@H](CC)[NH2+][C@@H]1COCCC12CNC2 ZINC001246137928 804161569 /nfs/dbraw/zinc/16/15/69/804161569.db2.gz KJSAVERRIITZGH-HZPDHXFCSA-N 1 3 282.472 3.094 20 30 CGEDHO CCCCCCC[C@@H](C)[NH2+]C1(CC(=O)OC)CCNCC1 ZINC001246362949 804306093 /nfs/dbraw/zinc/30/60/93/804306093.db2.gz JHRGMAXWZGGCHA-OAHLLOKOSA-N 1 3 298.471 3.010 20 30 CGEDHO CCCCCCC[C@@H](C)NC1(CC(=O)OC)CC[NH2+]CC1 ZINC001246362949 804306101 /nfs/dbraw/zinc/30/61/01/804306101.db2.gz JHRGMAXWZGGCHA-OAHLLOKOSA-N 1 3 298.471 3.010 20 30 CGEDHO CC[C@]1([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CCNC1 ZINC001246460405 804342495 /nfs/dbraw/zinc/34/24/95/804342495.db2.gz MJHFDNJQHNUXFQ-ACBHZAAOSA-N 1 3 297.446 3.316 20 30 CGEDHO CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H](N)[C@H](F)C1 ZINC001246566687 804415485 /nfs/dbraw/zinc/41/54/85/804415485.db2.gz UEFMJCQJMJUUGO-RRFJBIMHSA-N 1 3 258.425 3.497 20 30 CGEDHO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](N)[C@H](F)C1 ZINC001246566687 804415486 /nfs/dbraw/zinc/41/54/86/804415486.db2.gz UEFMJCQJMJUUGO-RRFJBIMHSA-N 1 3 258.425 3.497 20 30 CGEDHO CCCCCCC[C@@H](CCC)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246653931 804480129 /nfs/dbraw/zinc/48/01/29/804480129.db2.gz CNPVNVNXDQWTPN-WCVJEAGWSA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCC[C@@H](CCC)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246653931 804480132 /nfs/dbraw/zinc/48/01/32/804480132.db2.gz CNPVNVNXDQWTPN-WCVJEAGWSA-N 1 3 252.446 3.405 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+](C)C[C@H]3CCCNC3)C[C@H](C1)C2 ZINC001246843032 804552481 /nfs/dbraw/zinc/55/24/81/804552481.db2.gz SPXHAYQYVNCNDP-PMRDEQMMSA-N 1 3 262.441 3.053 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+](C)C[C@H]3CCCNC3)C[C@H](C1)C2 ZINC001246843032 804552487 /nfs/dbraw/zinc/55/24/87/804552487.db2.gz SPXHAYQYVNCNDP-PMRDEQMMSA-N 1 3 262.441 3.053 20 30 CGEDHO C=CCC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H](C)CN ZINC001258721363 807569905 /nfs/dbraw/zinc/56/99/05/807569905.db2.gz TZKNARRKLATWIZ-CVEARBPZSA-N 1 3 260.425 3.438 20 30 CGEDHO C=CCC[C@H](C)[N@H+](Cc1ccccc1)C[C@H](C)CN ZINC001258721363 807569911 /nfs/dbraw/zinc/56/99/11/807569911.db2.gz TZKNARRKLATWIZ-CVEARBPZSA-N 1 3 260.425 3.438 20 30 CGEDHO C[C@@H](CCCC#N)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001172487973 808347497 /nfs/dbraw/zinc/34/74/97/808347497.db2.gz PEEHDQKCTFCOLG-AWEZNQCLSA-N 1 3 263.429 3.052 20 30 CGEDHO CCc1cc(C#N)ccc1CN1CCCC[C@@](C)(C[NH3+])C1 ZINC001206580002 813361592 /nfs/dbraw/zinc/36/15/92/813361592.db2.gz BREOUPCUXSWNDJ-SFHVURJKSA-N 1 3 285.435 3.072 20 30 CGEDHO C=CCCC[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001209162255 813954040 /nfs/dbraw/zinc/95/40/40/813954040.db2.gz WGJIZPCNQJKIPE-INIZCTEOSA-N 1 3 250.430 3.293 20 30 CGEDHO C=CCCC[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001209162255 813954043 /nfs/dbraw/zinc/95/40/43/813954043.db2.gz WGJIZPCNQJKIPE-INIZCTEOSA-N 1 3 250.430 3.293 20 30 CGEDHO C=CCCCCCCCN1CCN(CCC[NH+](C)C)CC1 ZINC001209442566 814043527 /nfs/dbraw/zinc/04/35/27/814043527.db2.gz VKRQKEXNBVLKIB-UHFFFAOYSA-N 1 3 295.515 3.082 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+](C)[C@@H]2CCCC[C@@H]2N)CC1 ZINC001236211081 819371534 /nfs/dbraw/zinc/37/15/34/819371534.db2.gz GXBOAKGXCWGRNL-IXDOHACOSA-N 1 3 262.441 3.491 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@@H]2CCCC[C@@H]2N)CC1 ZINC001236211081 819371542 /nfs/dbraw/zinc/37/15/42/819371542.db2.gz GXBOAKGXCWGRNL-IXDOHACOSA-N 1 3 262.441 3.491 20 30 CGEDHO C=CCCC[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236373555 819443140 /nfs/dbraw/zinc/44/31/40/819443140.db2.gz ZFRASVVUFALDKG-HNNXBMFYSA-N 1 3 250.430 3.197 20 30 CGEDHO C=CCCC[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236373555 819443142 /nfs/dbraw/zinc/44/31/42/819443142.db2.gz ZFRASVVUFALDKG-HNNXBMFYSA-N 1 3 250.430 3.197 20 30 CGEDHO CC[C@@H]([NH2+]CCCN1CCCC1)c1cccc(C#N)c1 ZINC001339195473 936358448 /nfs/dbraw/zinc/35/84/48/936358448.db2.gz QGRUJPHBLYHGLI-QGZVFWFLSA-N 1 3 271.408 3.085 20 30 CGEDHO C=CC[C@@H](C)[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC001473132247 937793659 /nfs/dbraw/zinc/79/36/59/937793659.db2.gz CYPWKLDNOQPRTP-IAGOWNOFSA-N 1 3 264.457 3.395 20 30 CGEDHO C=CC[C@@H](C)[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC001473132247 937793660 /nfs/dbraw/zinc/79/36/60/937793660.db2.gz CYPWKLDNOQPRTP-IAGOWNOFSA-N 1 3 264.457 3.395 20 30 CGEDHO C=CC[C@@H](C)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132247 937793662 /nfs/dbraw/zinc/79/36/62/937793662.db2.gz CYPWKLDNOQPRTP-IAGOWNOFSA-N 1 3 264.457 3.395 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C1 ZINC000651808194 398290682 /nfs/dbraw/zinc/29/06/82/398290682.db2.gz ISRILVZYJCZORV-BZUAXINKSA-N 1 3 250.430 3.051 20 30 CGEDHO N#Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000596653032 347498293 /nfs/dbraw/zinc/49/82/93/347498293.db2.gz YSHPJXRVXXHJGA-CEXWTWQISA-N 1 3 297.446 3.001 20 30 CGEDHO C=CCC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CC1 ZINC000624121905 349979996 /nfs/dbraw/zinc/97/99/96/349979996.db2.gz FWHWZKGWCKOXLR-GDBMZVCRSA-N 1 3 250.430 3.053 20 30 CGEDHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391533 348444793 /nfs/dbraw/zinc/44/47/93/348444793.db2.gz MZYBNJJLHSKAQM-QFBILLFUSA-N 1 3 297.446 3.257 20 30 CGEDHO C=CCC[C@@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1CC1 ZINC000635006935 351625541 /nfs/dbraw/zinc/62/55/41/351625541.db2.gz NDCHTFVZQPROOU-QZTJIDSGSA-N 1 3 272.436 3.281 20 30 CGEDHO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc2c1CCNC2 ZINC000635009582 351626928 /nfs/dbraw/zinc/62/69/28/351626928.db2.gz HWSAJJPRJHHPKQ-KGLIPLIRSA-N 1 3 258.409 3.023 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCN(CCC)C1 ZINC000449094155 373661362 /nfs/dbraw/zinc/66/13/62/373661362.db2.gz QNCGACHJULKSGN-JKSUJKDBSA-N 1 3 252.446 3.443 20 30 CGEDHO C=CC[C@@H](CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449238258 373674669 /nfs/dbraw/zinc/67/46/69/373674669.db2.gz QOVDPVLFCAFPMY-INIZCTEOSA-N 1 3 296.499 3.192 20 30 CGEDHO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000530215060 328716581 /nfs/dbraw/zinc/71/65/81/328716581.db2.gz ZPVHEYJWRAXMKH-OWCLPIDISA-N 1 3 264.457 3.489 20 30 CGEDHO C[C@@H]1C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000341693923 377612447 /nfs/dbraw/zinc/61/24/47/377612447.db2.gz HQSKJOMEOYNEFJ-QBIMZIAESA-N 1 3 283.419 3.008 20 30 CGEDHO C[C@@H]1C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000341693923 377612454 /nfs/dbraw/zinc/61/24/54/377612454.db2.gz HQSKJOMEOYNEFJ-QBIMZIAESA-N 1 3 283.419 3.008 20 30 CGEDHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)c1cccc(C#N)c1 ZINC000276634355 378970862 /nfs/dbraw/zinc/97/08/62/378970862.db2.gz QSNCSYRTGYYCMU-HNNXBMFYSA-N 1 3 285.435 3.331 20 30 CGEDHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)c1cccc(C#N)c1 ZINC000276634380 378971736 /nfs/dbraw/zinc/97/17/36/378971736.db2.gz QSNCSYRTGYYCMU-OAHLLOKOSA-N 1 3 285.435 3.331 20 30 CGEDHO CCCCCCCC[C@@H](CC)[NH2+][C@H]1CC12CNC2 ZINC001246444316 804332965 /nfs/dbraw/zinc/33/29/65/804332965.db2.gz KFCHLNOTHVEKCI-CABCVRRESA-N 1 3 252.446 3.467 20 30 CGEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353268617 380199921 /nfs/dbraw/zinc/19/99/21/380199921.db2.gz REZNSAUSJSRTPL-NUJGCVRESA-N 1 3 283.419 3.008 20 30 CGEDHO CC[C@@H]([NH2+]CC1(N)CCCCC1)c1ccc(C#N)cc1 ZINC000423174331 393654079 /nfs/dbraw/zinc/65/40/79/393654079.db2.gz AJVGHDFMUUGCSQ-MRXNPFEDSA-N 1 3 271.408 3.261 20 30 CGEDHO C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000423221997 393655072 /nfs/dbraw/zinc/65/50/72/393655072.db2.gz ZAZGFAVMWRQZEU-YJLNNSPDSA-N 1 3 297.446 3.303 20 30 CGEDHO CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000423282093 393659339 /nfs/dbraw/zinc/65/93/39/393659339.db2.gz UVXMDHCSEPBYTE-IKGGRYGDSA-N 1 3 271.408 3.116 20 30 CGEDHO C=CCCC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCCC1 ZINC000665236182 419086630 /nfs/dbraw/zinc/08/66/30/419086630.db2.gz IZCBXTRTGMXMJG-GJZGRUSLSA-N 1 3 250.430 3.373 20 30 CGEDHO C=CCCC1(C[NH2+][C@H]2CCNCC[C@H]2C)CCCC1 ZINC000665236428 419087349 /nfs/dbraw/zinc/08/73/49/419087349.db2.gz MOQGRKRMICHNDI-CVEARBPZSA-N 1 3 264.457 3.491 20 30 CGEDHO C=CCCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000658116528 419590653 /nfs/dbraw/zinc/59/06/53/419590653.db2.gz MFMPJXHOJJIVMG-GOEBONIOSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000658116528 419590660 /nfs/dbraw/zinc/59/06/60/419590660.db2.gz MFMPJXHOJJIVMG-GOEBONIOSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468931 419622684 /nfs/dbraw/zinc/62/26/84/419622684.db2.gz NJPHWHXWIVSGFZ-ZOBUZTSGSA-N 1 3 264.457 3.299 20 30 CGEDHO N#CCCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000273125796 263012959 /nfs/dbraw/zinc/01/29/59/263012959.db2.gz ANIQZWIFQYNBRB-GBESFXJTSA-N 1 3 297.446 3.180 20 30 CGEDHO N#CCCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000273125796 263012960 /nfs/dbraw/zinc/01/29/60/263012960.db2.gz ANIQZWIFQYNBRB-GBESFXJTSA-N 1 3 297.446 3.180 20 30 CGEDHO N#CCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000273125796 263012961 /nfs/dbraw/zinc/01/29/61/263012961.db2.gz ANIQZWIFQYNBRB-GBESFXJTSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@@H](CC[NH2+][C@@H]1CCc2ccc(C#N)cc21)N1CCCCC1 ZINC000353675895 278233659 /nfs/dbraw/zinc/23/36/59/278233659.db2.gz INIZZYUASBCRPS-HNAYVOBHSA-N 1 3 297.446 3.400 20 30 CGEDHO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000530215051 328716587 /nfs/dbraw/zinc/71/65/87/328716587.db2.gz ZPVHEYJWRAXMKH-ARFHVFGLSA-N 1 3 264.457 3.489 20 30 CGEDHO C=CCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000423109903 330170815 /nfs/dbraw/zinc/17/08/15/330170815.db2.gz TZHHPJUNKVBUBG-SJORKVTESA-N 1 3 274.408 3.001 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423502334 330208366 /nfs/dbraw/zinc/20/83/66/330208366.db2.gz FERCLOLGJGBIBZ-OKZBNKHCSA-N 1 3 272.436 3.467 20 30 CGEDHO C=CCCCC[C@@H](C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423528147 330210323 /nfs/dbraw/zinc/21/03/23/330210323.db2.gz NEJFLJGATJUYGY-BPQIPLTHSA-N 1 3 272.436 3.467 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)C1CC1 ZINC000121007022 330394803 /nfs/dbraw/zinc/39/48/03/330394803.db2.gz USRMPAAPLPQQIB-RDJZCZTQSA-N 1 3 264.457 3.441 20 30 CGEDHO C=C(CC)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000453362240 331122716 /nfs/dbraw/zinc/12/27/16/331122716.db2.gz NSTARJJLRNZEGE-OAHLLOKOSA-N 1 3 276.424 3.244 20 30 CGEDHO C=C(CC)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000453362238 331122722 /nfs/dbraw/zinc/12/27/22/331122722.db2.gz NSTARJJLRNZEGE-HNNXBMFYSA-N 1 3 276.424 3.244 20 30 CGEDHO C=C[C@H]1CCCCN1CCOCC[N@@H+]1CCCC[C@@H]1C=C ZINC000489430765 332051857 /nfs/dbraw/zinc/05/18/57/332051857.db2.gz DJKLKMXKANCBLZ-ROUUACIJSA-N 1 3 292.467 3.084 20 30 CGEDHO C=C[C@H]1CCCCN1CCOCC[N@H+]1CCCC[C@@H]1C=C ZINC000489430765 332051858 /nfs/dbraw/zinc/05/18/58/332051858.db2.gz DJKLKMXKANCBLZ-ROUUACIJSA-N 1 3 292.467 3.084 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185794366 333148941 /nfs/dbraw/zinc/14/89/41/333148941.db2.gz SYRBQSILSUSYCC-VVLHAWIVSA-N 1 3 291.483 3.415 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185794366 333148942 /nfs/dbraw/zinc/14/89/42/333148942.db2.gz SYRBQSILSUSYCC-VVLHAWIVSA-N 1 3 291.483 3.415 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2ccc3[nH]ccc3c2)CC1 ZINC000521899319 333197100 /nfs/dbraw/zinc/19/71/00/333197100.db2.gz RKMXRGGDUNHDBD-UHFFFAOYSA-N 1 3 283.419 3.298 20 30 CGEDHO C[NH+]1CCC(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000892200302 618590521 /nfs/dbraw/zinc/59/05/21/618590521.db2.gz DLSQZPWGJZCUJP-MOPGFXCFSA-N 1 3 297.446 3.100 20 30 CGEDHO CCN1CCC[C@H]1CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303705386 640838870 /nfs/dbraw/zinc/83/88/70/640838870.db2.gz KWRIQIBVEYZQNC-INIZCTEOSA-N 1 3 288.439 3.021 20 30 CGEDHO Cc1cc(C)cc(NC(=[NH2+])NCCN(C(C)C)C(C)C)c1 ZINC000303723821 640840753 /nfs/dbraw/zinc/84/07/53/640840753.db2.gz ZDSMTGNHUIJXTE-UHFFFAOYSA-N 1 3 290.455 3.149 20 30 CGEDHO CCC(CC)[NH+]1CCC(CN[C@H](CC)CC#N)CC1 ZINC001255161077 806560421 /nfs/dbraw/zinc/56/04/21/806560421.db2.gz UHKGRTMJRHTVQT-OAHLLOKOSA-N 1 3 265.445 3.169 20 30 CGEDHO CCCCCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682760 806947571 /nfs/dbraw/zinc/94/75/71/806947571.db2.gz PIKUCRYBIDVZOJ-UHFFFAOYSA-N 1 3 282.472 3.190 20 30 CGEDHO CCCCCCC[C@@H](CC)[NH2+]C[C@]1(O)CCCCNC1 ZINC001246096912 804129967 /nfs/dbraw/zinc/12/99/67/804129967.db2.gz MEGPEBNYOHZBTH-SJORKVTESA-N 1 3 284.488 3.220 20 30 CGEDHO C#CC1([NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)CCCCC1 ZINC001246461075 804342519 /nfs/dbraw/zinc/34/25/19/804342519.db2.gz BYIZZIAUCLSUGT-MOPGFXCFSA-N 1 3 296.458 3.275 20 30 CGEDHO C=CCC[C@@H](C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246469951 804348335 /nfs/dbraw/zinc/34/83/35/804348335.db2.gz XUTFBPXDFGFUBB-MRXNPFEDSA-N 1 3 272.436 3.296 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246517914 804371478 /nfs/dbraw/zinc/37/14/78/804371478.db2.gz NPEDTBULPZBSNE-BBRMVZONSA-N 1 3 252.446 3.323 20 30 CGEDHO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2CNCC[C@@H]21 ZINC001246675002 804490336 /nfs/dbraw/zinc/49/03/36/804490336.db2.gz QGRBMIPRRDJXIS-JYJNAYRXSA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2CNCC[C@@H]21 ZINC001246675002 804490341 /nfs/dbraw/zinc/49/03/41/804490341.db2.gz QGRBMIPRRDJXIS-JYJNAYRXSA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@H](CC)N1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246675002 804490343 /nfs/dbraw/zinc/49/03/43/804490343.db2.gz QGRBMIPRRDJXIS-JYJNAYRXSA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@H](C)N1CCCC2(C[NH2+]C2)C1 ZINC001246789645 804513870 /nfs/dbraw/zinc/51/38/70/804513870.db2.gz DGMDKXDAKCAPMU-HNNXBMFYSA-N 1 3 252.446 3.421 20 30 CGEDHO CCCCCCC[C@H](C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246789645 804513876 /nfs/dbraw/zinc/51/38/76/804513876.db2.gz DGMDKXDAKCAPMU-HNNXBMFYSA-N 1 3 252.446 3.421 20 30 CGEDHO CCCCCCC[C@H](C)[N@H+]1CCCC2(CNC2)C1 ZINC001246789645 804513878 /nfs/dbraw/zinc/51/38/78/804513878.db2.gz DGMDKXDAKCAPMU-HNNXBMFYSA-N 1 3 252.446 3.421 20 30 CGEDHO CCCCN(CCC#N)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861206 806992375 /nfs/dbraw/zinc/99/23/75/806992375.db2.gz RYQZLEWKYMIBCR-UHFFFAOYSA-N 1 3 286.423 3.066 20 30 CGEDHO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994777 807294721 /nfs/dbraw/zinc/29/47/21/807294721.db2.gz OIXOQZCZABRERR-JSAFKYAJSA-N 1 3 299.462 3.158 20 30 CGEDHO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994777 807294725 /nfs/dbraw/zinc/29/47/25/807294725.db2.gz OIXOQZCZABRERR-JSAFKYAJSA-N 1 3 299.462 3.158 20 30 CGEDHO C=CCOC1CCC([N@H+](CCCN)C2CCCCC2)CC1 ZINC001173312412 808606510 /nfs/dbraw/zinc/60/65/10/808606510.db2.gz ZEXADUKPQPIQEG-UHFFFAOYSA-N 1 3 294.483 3.484 20 30 CGEDHO C=CCOC1CCC([N@@H+](CCCN)C2CCCCC2)CC1 ZINC001173312412 808606513 /nfs/dbraw/zinc/60/65/13/808606513.db2.gz ZEXADUKPQPIQEG-UHFFFAOYSA-N 1 3 294.483 3.484 20 30 CGEDHO CN1CCC[C@]2(CCC[N@H+](Cc3ccccc3CC#N)C2)C1 ZINC001276242657 808995960 /nfs/dbraw/zinc/99/59/60/808995960.db2.gz QZDNQTQVRWHIMP-IBGZPJMESA-N 1 3 297.446 3.060 20 30 CGEDHO CN1CCC[C@]2(CCC[N@@H+](Cc3ccccc3CC#N)C2)C1 ZINC001276242657 808995962 /nfs/dbraw/zinc/99/59/62/808995962.db2.gz QZDNQTQVRWHIMP-IBGZPJMESA-N 1 3 297.446 3.060 20 30 CGEDHO C=CCOc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206542393 813344403 /nfs/dbraw/zinc/34/44/03/813344403.db2.gz ZXYXTSJUHYDWOC-SFHVURJKSA-N 1 3 288.435 3.202 20 30 CGEDHO C=CCCCCCCN1CCN(CC[NH+](CC)CC)CC1 ZINC001209431766 814031374 /nfs/dbraw/zinc/03/13/74/814031374.db2.gz SDSBWYYNLMFDQA-UHFFFAOYSA-N 1 3 295.515 3.082 20 30 CGEDHO Cc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C#N)c1 ZINC001235425137 819093210 /nfs/dbraw/zinc/09/32/10/819093210.db2.gz IKKOZELRDVSFMT-IAGOWNOFSA-N 1 3 297.446 3.078 20 30 CGEDHO C#Cc1cccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236457106 819484409 /nfs/dbraw/zinc/48/44/09/819484409.db2.gz INZRERBTVGTRAZ-UHFFFAOYSA-N 1 3 284.447 3.268 20 30 CGEDHO C#Cc1cccc(C[N@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236457106 819484413 /nfs/dbraw/zinc/48/44/13/819484413.db2.gz INZRERBTVGTRAZ-UHFFFAOYSA-N 1 3 284.447 3.268 20 30 CGEDHO C#Cc1cccc(CN(CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236457106 819484419 /nfs/dbraw/zinc/48/44/19/819484419.db2.gz INZRERBTVGTRAZ-UHFFFAOYSA-N 1 3 284.447 3.268 20 30 CGEDHO C=C(CC)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000390808337 346574472 /nfs/dbraw/zinc/57/44/72/346574472.db2.gz OGNGSEFGTBHYJC-CEXWTWQISA-N 1 3 284.447 3.453 20 30 CGEDHO C=C(CC)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000390808337 346574474 /nfs/dbraw/zinc/57/44/74/346574474.db2.gz OGNGSEFGTBHYJC-CEXWTWQISA-N 1 3 284.447 3.453 20 30 CGEDHO C=C(CC)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000390808337 346574475 /nfs/dbraw/zinc/57/44/75/346574475.db2.gz OGNGSEFGTBHYJC-CEXWTWQISA-N 1 3 284.447 3.453 20 30 CGEDHO CC(C)[C@H]([NH3+])CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000596652869 347498312 /nfs/dbraw/zinc/49/83/12/347498312.db2.gz JOEXLEIQISEEIL-MSOLQXFVSA-N 1 3 285.435 3.289 20 30 CGEDHO C=CCCSCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000596650632 347498333 /nfs/dbraw/zinc/49/83/33/347498333.db2.gz MDEHKJQKWUQDOH-HUUCEWRRSA-N 1 3 270.486 3.196 20 30 CGEDHO C[NH+](C)CC1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596980239 347523654 /nfs/dbraw/zinc/52/36/54/347523654.db2.gz XFWNITNDWBGYAG-UHFFFAOYSA-N 1 3 297.446 3.015 20 30 CGEDHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071799 347714672 /nfs/dbraw/zinc/71/46/72/347714672.db2.gz TXKJMLASHPEZPS-VQIMIIECSA-N 1 3 297.446 3.257 20 30 CGEDHO Cc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1C#N ZINC000600708841 347829412 /nfs/dbraw/zinc/82/94/12/347829412.db2.gz HGGGUUDXDXVNHO-SFHVURJKSA-N 1 3 297.446 3.078 20 30 CGEDHO CC(C)CN1CCC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602575268 347985480 /nfs/dbraw/zinc/98/54/80/347985480.db2.gz QVWQLZMPVYQVOP-AQFXKWCLSA-N 1 3 277.456 3.026 20 30 CGEDHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000609133629 348336839 /nfs/dbraw/zinc/33/68/39/348336839.db2.gz NWXLFPYZEDNTKN-UHFFFAOYSA-N 1 3 285.435 3.110 20 30 CGEDHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000609133629 348336841 /nfs/dbraw/zinc/33/68/41/348336841.db2.gz NWXLFPYZEDNTKN-UHFFFAOYSA-N 1 3 285.435 3.110 20 30 CGEDHO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635010195 351628418 /nfs/dbraw/zinc/62/84/18/351628418.db2.gz YZICHSIXEPIZFC-UXLLHSPISA-N 1 3 260.425 3.137 20 30 CGEDHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccc(C#N)c1 ZINC000423093927 371958239 /nfs/dbraw/zinc/95/82/39/371958239.db2.gz APWHBUVKEFCWDJ-YJBOKZPZSA-N 1 3 285.435 3.001 20 30 CGEDHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000171130620 372716585 /nfs/dbraw/zinc/71/65/85/372716585.db2.gz USJZIRLDQKPXHE-HNNXBMFYSA-N 1 3 293.414 3.471 20 30 CGEDHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442722179 373069232 /nfs/dbraw/zinc/06/92/32/373069232.db2.gz UYIPXNPJSBMNLQ-YJBOKZPZSA-N 1 3 285.435 3.309 20 30 CGEDHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442722179 373069241 /nfs/dbraw/zinc/06/92/41/373069241.db2.gz UYIPXNPJSBMNLQ-YJBOKZPZSA-N 1 3 285.435 3.309 20 30 CGEDHO C[C@H](CCN[C@H]1CC[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000442767072 373075332 /nfs/dbraw/zinc/07/53/32/373075332.db2.gz LZBGCHAMSNZNBK-NJAFHUGGSA-N 1 3 285.435 3.179 20 30 CGEDHO C[C@H](CCN[C@H]1CC[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000442767072 373075341 /nfs/dbraw/zinc/07/53/41/373075341.db2.gz LZBGCHAMSNZNBK-NJAFHUGGSA-N 1 3 285.435 3.179 20 30 CGEDHO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000180949439 374062040 /nfs/dbraw/zinc/06/20/40/374062040.db2.gz VCCUCFSRIOEBDB-LSDHHAIUSA-N 1 3 276.424 3.242 20 30 CGEDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(C#N)c1 ZINC000181860076 374182935 /nfs/dbraw/zinc/18/29/35/374182935.db2.gz XCIRODXSAPEBMF-JQFCIGGWSA-N 1 3 271.408 3.082 20 30 CGEDHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccc(C#N)c1 ZINC000245954557 376942440 /nfs/dbraw/zinc/94/24/40/376942440.db2.gz XCIRODXSAPEBMF-IAOVAPTHSA-N 1 3 271.408 3.082 20 30 CGEDHO C=CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000253355322 377684353 /nfs/dbraw/zinc/68/43/53/377684353.db2.gz UYJGUTDFBUGBOZ-HZPDHXFCSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000253355322 377684364 /nfs/dbraw/zinc/68/43/64/377684364.db2.gz UYJGUTDFBUGBOZ-HZPDHXFCSA-N 1 3 250.430 3.149 20 30 CGEDHO N#C[C@@H]1CC[C@@H](NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000349824059 379404337 /nfs/dbraw/zinc/40/43/37/379404337.db2.gz XNRPTSDPSRZKDE-VQIMIIECSA-N 1 3 297.446 3.454 20 30 CGEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181717607 392735412 /nfs/dbraw/zinc/73/54/12/392735412.db2.gz CYNYRBSTFFUQAG-HNNXBMFYSA-N 1 3 283.419 3.249 20 30 CGEDHO C=CCCCCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000519718317 392887139 /nfs/dbraw/zinc/88/71/39/392887139.db2.gz ZCJYEWPRAGMVTR-CYBMUJFWSA-N 1 3 261.413 3.246 20 30 CGEDHO C[C@@H](CC[NH+](C)C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360837727 393596006 /nfs/dbraw/zinc/59/60/06/393596006.db2.gz RBDRICJRCOOSEW-KBXCAEBGSA-N 1 3 285.435 3.256 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2ccc3cnccc3c2)CC1 ZINC000683769175 543939561 /nfs/dbraw/zinc/93/95/61/543939561.db2.gz QMKAVTSXEPIAKO-UHFFFAOYSA-N 1 3 295.430 3.365 20 30 CGEDHO C=CCCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCCC1 ZINC000665236184 419087022 /nfs/dbraw/zinc/08/70/22/419087022.db2.gz IZCBXTRTGMXMJG-HUUCEWRRSA-N 1 3 250.430 3.373 20 30 CGEDHO C=CCCC(C)(C)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000657805388 419362056 /nfs/dbraw/zinc/36/20/56/419362056.db2.gz NVEROUGAGVYCEW-UHFFFAOYSA-N 1 3 290.451 3.461 20 30 CGEDHO C=CC[C@@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662299478 419388576 /nfs/dbraw/zinc/38/85/76/419388576.db2.gz QWHSCYRYJUWJKG-OAHLLOKOSA-N 1 3 270.420 3.120 20 30 CGEDHO C=CC[C@@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662299478 419388580 /nfs/dbraw/zinc/38/85/80/419388580.db2.gz QWHSCYRYJUWJKG-OAHLLOKOSA-N 1 3 270.420 3.120 20 30 CGEDHO C=CCC[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CC1 ZINC000663469477 419621464 /nfs/dbraw/zinc/62/14/64/419621464.db2.gz PORMNSULSPDLMV-SJLPKXTDSA-N 1 3 276.468 3.443 20 30 CGEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000658239463 419695381 /nfs/dbraw/zinc/69/53/81/419695381.db2.gz VDJHBLTXAHLIBY-BZUAXINKSA-N 1 3 250.430 3.195 20 30 CGEDHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCSCC#N ZINC000360948955 266759165 /nfs/dbraw/zinc/75/91/65/266759165.db2.gz XQAQQRCKQGICLR-JKSUJKDBSA-N 1 3 297.512 3.123 20 30 CGEDHO C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000341693925 274393984 /nfs/dbraw/zinc/39/39/84/274393984.db2.gz HQSKJOMEOYNEFJ-SKDZVZGDSA-N 1 3 283.419 3.008 20 30 CGEDHO C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000341693925 274393986 /nfs/dbraw/zinc/39/39/86/274393986.db2.gz HQSKJOMEOYNEFJ-SKDZVZGDSA-N 1 3 283.419 3.008 20 30 CGEDHO C[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)CN1CCCCC1 ZINC000353383239 278285575 /nfs/dbraw/zinc/28/55/75/278285575.db2.gz IREXUOUCHMDGAR-HNAYVOBHSA-N 1 3 297.446 3.257 20 30 CGEDHO N#C[C@@H]1CCC[C@@H](NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000185876239 329334187 /nfs/dbraw/zinc/33/41/87/329334187.db2.gz HSRSIGTZZUTICJ-SJLPKXTDSA-N 1 3 289.467 3.313 20 30 CGEDHO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000185876239 329334188 /nfs/dbraw/zinc/33/41/88/329334188.db2.gz HSRSIGTZZUTICJ-SJLPKXTDSA-N 1 3 289.467 3.313 20 30 CGEDHO C=CCOc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000423109900 330170825 /nfs/dbraw/zinc/17/08/25/330170825.db2.gz TZHHPJUNKVBUBG-DLBZAZTESA-N 1 3 274.408 3.001 20 30 CGEDHO C=CCC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCCC1 ZINC000423149082 330172962 /nfs/dbraw/zinc/17/29/62/330172962.db2.gz AJHQTYKCGVRLAM-HUUCEWRRSA-N 1 3 250.430 3.230 20 30 CGEDHO C=CCC[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423369843 330194956 /nfs/dbraw/zinc/19/49/56/330194956.db2.gz OYGHWOGWAMYXBZ-DXCKQFNASA-N 1 3 294.389 3.355 20 30 CGEDHO C=C(C)CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453320544 331116293 /nfs/dbraw/zinc/11/62/93/331116293.db2.gz OWRMJSYLEZDCKI-HNNXBMFYSA-N 1 3 276.424 3.244 20 30 CGEDHO C=C(C)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309980510 333052366 /nfs/dbraw/zinc/05/23/66/333052366.db2.gz URLYCHYBZKQBOC-ZWKOTPCHSA-N 1 3 270.420 3.016 20 30 CGEDHO C=C(C)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309980510 333052367 /nfs/dbraw/zinc/05/23/67/333052367.db2.gz URLYCHYBZKQBOC-ZWKOTPCHSA-N 1 3 270.420 3.016 20 30 CGEDHO CC[NH+](CC)[C@H](CN[C@H]1CCC[C@H](C#N)C1)CC(C)C ZINC000185773196 333148578 /nfs/dbraw/zinc/14/85/78/333148578.db2.gz UPUSYXHQZKSFIW-ULQDDVLXSA-N 1 3 279.472 3.415 20 30 CGEDHO C=CCCCCCN1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000193368991 333248889 /nfs/dbraw/zinc/24/88/89/333248889.db2.gz PXWWHNHRIDYZHH-MRXNPFEDSA-N 1 3 252.446 3.397 20 30 CGEDHO C=CCCCCCN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000193368991 333248890 /nfs/dbraw/zinc/24/88/90/333248890.db2.gz PXWWHNHRIDYZHH-MRXNPFEDSA-N 1 3 252.446 3.397 20 30 CGEDHO C=CCCCCC[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000193368991 333248891 /nfs/dbraw/zinc/24/88/91/333248891.db2.gz PXWWHNHRIDYZHH-MRXNPFEDSA-N 1 3 252.446 3.397 20 30 CGEDHO C=CCCCCC[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000193368991 333248892 /nfs/dbraw/zinc/24/88/92/333248892.db2.gz PXWWHNHRIDYZHH-MRXNPFEDSA-N 1 3 252.446 3.397 20 30 CGEDHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(C#N)cc1 ZINC000423374994 533925767 /nfs/dbraw/zinc/92/57/67/533925767.db2.gz INNKQFAHJDMCMT-ZDUSSCGKSA-N 1 3 277.371 3.012 20 30 CGEDHO C=CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000878411820 619424426 /nfs/dbraw/zinc/42/44/26/619424426.db2.gz OOOBWJHMOWGAMA-SOUVJXGZSA-N 1 3 250.430 3.194 20 30 CGEDHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000924958239 619461939 /nfs/dbraw/zinc/46/19/39/619461939.db2.gz DMCCAAVKLYLWNN-CABCVRRESA-N 1 3 265.445 3.025 20 30 CGEDHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000924958239 619461941 /nfs/dbraw/zinc/46/19/41/619461941.db2.gz DMCCAAVKLYLWNN-CABCVRRESA-N 1 3 265.445 3.025 20 30 CGEDHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)CC(C)(C)C#N)C1 ZINC000924958239 619461943 /nfs/dbraw/zinc/46/19/43/619461943.db2.gz DMCCAAVKLYLWNN-CABCVRRESA-N 1 3 265.445 3.025 20 30 CGEDHO CC(C)CN1CCC([NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000924627738 620545972 /nfs/dbraw/zinc/54/59/72/620545972.db2.gz CUMBOQVMFGXQKE-CQSZACIVSA-N 1 3 265.445 3.025 20 30 CGEDHO CC(C)C[NH+]1CCC(N[C@H](C)CC(C)(C)C#N)CC1 ZINC000924627738 620545975 /nfs/dbraw/zinc/54/59/75/620545975.db2.gz CUMBOQVMFGXQKE-CQSZACIVSA-N 1 3 265.445 3.025 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924687656 620562949 /nfs/dbraw/zinc/56/29/49/620562949.db2.gz XPUYMFIFILKQEI-XHSDSOJGSA-N 1 3 279.472 3.272 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924687656 620562951 /nfs/dbraw/zinc/56/29/51/620562951.db2.gz XPUYMFIFILKQEI-XHSDSOJGSA-N 1 3 279.472 3.272 20 30 CGEDHO Cc1cc(C#N)cc(C)c1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000903453753 621761338 /nfs/dbraw/zinc/76/13/38/621761338.db2.gz KNRYJBXZPDPJCS-MJGOQNOKSA-N 1 3 297.446 3.139 20 30 CGEDHO C[C@@H]1CCC[N@H+](CCCCNCc2csc(C#N)c2)C1 ZINC000921535699 625654040 /nfs/dbraw/zinc/65/40/40/625654040.db2.gz LCQGDTLQKMQLCT-CQSZACIVSA-N 1 3 291.464 3.221 20 30 CGEDHO C[C@@H]1CCC[N@@H+](CCCCNCc2csc(C#N)c2)C1 ZINC000921535699 625654041 /nfs/dbraw/zinc/65/40/41/625654041.db2.gz LCQGDTLQKMQLCT-CQSZACIVSA-N 1 3 291.464 3.221 20 30 CGEDHO CC[N@@H+]1CC[C@@H](N(C)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930000819 624317442 /nfs/dbraw/zinc/31/74/42/624317442.db2.gz RZKYQYIWDFNZJK-QFBILLFUSA-N 1 3 299.462 3.337 20 30 CGEDHO CC[N@H+]1CC[C@@H](N(C)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930000819 624317447 /nfs/dbraw/zinc/31/74/47/624317447.db2.gz RZKYQYIWDFNZJK-QFBILLFUSA-N 1 3 299.462 3.337 20 30 CGEDHO C#CC[C@@H]([NH2+]CCCN1CCCCC1)c1ccccc1 ZINC000781902290 628604120 /nfs/dbraw/zinc/60/41/20/628604120.db2.gz AHZDAVFLYUHALK-GOSISDBHSA-N 1 3 270.420 3.217 20 30 CGEDHO N#C[C@@H]1CC[C@@H](NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000866561842 633191630 /nfs/dbraw/zinc/19/16/30/633191630.db2.gz MLQGUMXRMULKGA-INMHGKMJSA-N 1 3 275.440 3.065 20 30 CGEDHO N#C[C@@H]1CC[C@@H](NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000866561842 633191644 /nfs/dbraw/zinc/19/16/44/633191644.db2.gz MLQGUMXRMULKGA-INMHGKMJSA-N 1 3 275.440 3.065 20 30 CGEDHO C=CCCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925639448 638552785 /nfs/dbraw/zinc/55/27/85/638552785.db2.gz BUVOMVOEAAPXGF-JKSUJKDBSA-N 1 3 250.430 3.101 20 30 CGEDHO N#CCCC[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925678513 638567361 /nfs/dbraw/zinc/56/73/61/638567361.db2.gz VKCGFQXCXXVZRY-GVDBMIGSSA-N 1 3 283.419 3.281 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000926634738 638793018 /nfs/dbraw/zinc/79/30/18/638793018.db2.gz ICSSLGFGMYGQLY-JQHSSLGASA-N 1 3 299.462 3.250 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926634738 638793020 /nfs/dbraw/zinc/79/30/20/638793020.db2.gz ICSSLGFGMYGQLY-JQHSSLGASA-N 1 3 299.462 3.250 20 30 CGEDHO N#C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@H]2CCN2CCCC2)C1 ZINC001254669000 806479495 /nfs/dbraw/zinc/47/94/95/806479495.db2.gz MMHBTJGUOOCTKM-BRWVUGGUSA-N 1 3 275.440 3.019 20 30 CGEDHO N#C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H]2CCN2CCCC2)C1 ZINC001254669000 806479499 /nfs/dbraw/zinc/47/94/99/806479499.db2.gz MMHBTJGUOOCTKM-BRWVUGGUSA-N 1 3 275.440 3.019 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@]12CCC[C@H]1C[NH2+]C2 ZINC001245988379 804093418 /nfs/dbraw/zinc/09/34/18/804093418.db2.gz VPUJNXZVNJSOBP-OKZBNKHCSA-N 1 3 296.499 3.077 20 30 CGEDHO CCCCCCCCCC[C@H](O)CNC[C@@H]1CC[NH2+]C1 ZINC001245979008 804094180 /nfs/dbraw/zinc/09/41/80/804094180.db2.gz RIMFSSFWUVZQJF-SJORKVTESA-N 1 3 284.488 3.077 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@@H](C)C1C[NH2+]C1 ZINC001245998302 804096276 /nfs/dbraw/zinc/09/62/76/804096276.db2.gz GAWUGHWWKLINCF-RDJZCZTQSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCCCC[C@H](O)CNCCC[NH2+]C ZINC001245991242 804096443 /nfs/dbraw/zinc/09/64/43/804096443.db2.gz JPHOTNPCIZMHDO-INIZCTEOSA-N 1 3 272.477 3.077 20 30 CGEDHO CCCCCCCC[C@H](O)CN1CCC[C@](C)(C[NH3+])C1 ZINC001246057730 804104174 /nfs/dbraw/zinc/10/41/74/804104174.db2.gz GMBWPWWEEJDJED-DLBZAZTESA-N 1 3 284.488 3.159 20 30 CGEDHO C#CC(CC)(CC)[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246073265 804110831 /nfs/dbraw/zinc/11/08/31/804110831.db2.gz WGPHNZCYCGKIHJ-ZWKOTPCHSA-N 1 3 284.447 3.131 20 30 CGEDHO CCCCCCCCC[C@H](C)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246142994 804164639 /nfs/dbraw/zinc/16/46/39/804164639.db2.gz DXCBISRQTBPHNZ-JONQDZQNSA-N 1 3 252.446 3.323 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1F ZINC001246223043 804218018 /nfs/dbraw/zinc/21/80/18/804218018.db2.gz PJEGNVVLPKMCFI-KKUMJFAQSA-N 1 3 258.425 3.273 20 30 CGEDHO C#Cc1ccc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246267933 804247231 /nfs/dbraw/zinc/24/72/31/804247231.db2.gz UDKDOLWVCQTFFO-WOJBJXKFSA-N 1 3 290.410 3.251 20 30 CGEDHO C#Cc1ccc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246267931 804248512 /nfs/dbraw/zinc/24/85/12/804248512.db2.gz UDKDOLWVCQTFFO-UXHICEINSA-N 1 3 290.410 3.251 20 30 CGEDHO C=CCC[C@H](C)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246431895 804329385 /nfs/dbraw/zinc/32/93/85/804329385.db2.gz UONZHYDZWKQNCM-AWEZNQCLSA-N 1 3 276.399 3.349 20 30 CGEDHO CCCCCCCC[C@@H](CC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246461931 804342742 /nfs/dbraw/zinc/34/27/42/804342742.db2.gz ANIURFIOVBLHPL-ZACQAIPSSA-N 1 3 284.488 3.482 20 30 CGEDHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1CCC(C#N)CC1 ZINC001256959650 807016095 /nfs/dbraw/zinc/01/60/95/807016095.db2.gz OGULUMQVSSFUNK-KLHKWILBSA-N 1 3 285.435 3.166 20 30 CGEDHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1CCC(C#N)CC1 ZINC001256959650 807016102 /nfs/dbraw/zinc/01/61/02/807016102.db2.gz OGULUMQVSSFUNK-KLHKWILBSA-N 1 3 285.435 3.166 20 30 CGEDHO CCCCCCCCC[C@@H](C)N1CC(N2CC[NH2+]CC2)C1 ZINC001246891523 804583889 /nfs/dbraw/zinc/58/38/89/804583889.db2.gz BXZXNTKEYLFHAE-QGZVFWFLSA-N 1 3 295.515 3.105 20 30 CGEDHO CC[C@H]1C[C@@H](N2CCC(C#Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246924230 804603519 /nfs/dbraw/zinc/60/35/19/804603519.db2.gz QJUIIQUIDFUACD-PMACEKPBSA-N 1 3 296.458 3.281 20 30 CGEDHO C[NH+]1C(C)(C)CC(N2CCC(C)(C#N)CC2)CC1(C)C ZINC001171639533 808111850 /nfs/dbraw/zinc/11/18/50/808111850.db2.gz NWCQGCAUPUOVPU-UHFFFAOYSA-N 1 3 277.456 3.263 20 30 CGEDHO CN1C(C)(C)CC([NH+]2CCC(C)(C#N)CC2)CC1(C)C ZINC001171639533 808111852 /nfs/dbraw/zinc/11/18/52/808111852.db2.gz NWCQGCAUPUOVPU-UHFFFAOYSA-N 1 3 277.456 3.263 20 30 CGEDHO C[C@@H](CCCC#N)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001172493060 808354237 /nfs/dbraw/zinc/35/42/37/808354237.db2.gz VYQNDPLAQHDMKI-DLBZAZTESA-N 1 3 289.467 3.479 20 30 CGEDHO C=CCCCN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001274964429 808894929 /nfs/dbraw/zinc/89/49/29/808894929.db2.gz MEHGSZTVJDYBPD-UHFFFAOYSA-N 1 3 262.441 3.293 20 30 CGEDHO C=CCCCCCCC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC001205296431 812937759 /nfs/dbraw/zinc/93/77/59/812937759.db2.gz PETIEAWBYLODMP-JKSUJKDBSA-N 1 3 252.446 3.430 20 30 CGEDHO C=CCCCCCCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC001205296431 812937762 /nfs/dbraw/zinc/93/77/62/812937762.db2.gz PETIEAWBYLODMP-JKSUJKDBSA-N 1 3 252.446 3.430 20 30 CGEDHO C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)CC[C@H]1C[NH3+] ZINC001205651690 813042813 /nfs/dbraw/zinc/04/28/13/813042813.db2.gz IFSCVOVXKSRLFH-JSGCOSHPSA-N 1 3 291.826 3.018 20 30 CGEDHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001206326317 813290113 /nfs/dbraw/zinc/29/01/13/813290113.db2.gz MWWGTPUWZNLBCQ-MRXNPFEDSA-N 1 3 291.826 3.163 20 30 CGEDHO C[NH+](C)CC(C)(C)CN1CCC(C#Cc2ccccc2)CC1 ZINC001207288610 813537135 /nfs/dbraw/zinc/53/71/35/813537135.db2.gz TZTARGHQMBYILQ-UHFFFAOYSA-N 1 3 298.474 3.338 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+](C)CCCN(C)C)CC1 ZINC001208167750 813722401 /nfs/dbraw/zinc/72/24/01/813722401.db2.gz GJSMIYIFQIGCTE-MRXNPFEDSA-N 1 3 250.430 3.173 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@H+](C)CCCN(C)C)CC1 ZINC001208167750 813722406 /nfs/dbraw/zinc/72/24/06/813722406.db2.gz GJSMIYIFQIGCTE-MRXNPFEDSA-N 1 3 250.430 3.173 20 30 CGEDHO Cc1ccc(CN(CC(C)(C)C)C2CC[NH2+]CC2)cc1C#N ZINC001236456939 819484984 /nfs/dbraw/zinc/48/49/84/819484984.db2.gz HAJZGMPOYJRFBU-UHFFFAOYSA-N 1 3 299.462 3.467 20 30 CGEDHO Cc1ccc(C[N@H+](CC(C)(C)C)C2CCNCC2)cc1C#N ZINC001236456939 819484989 /nfs/dbraw/zinc/48/49/89/819484989.db2.gz HAJZGMPOYJRFBU-UHFFFAOYSA-N 1 3 299.462 3.467 20 30 CGEDHO Cc1ccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)cc1C#N ZINC001236456939 819484992 /nfs/dbraw/zinc/48/49/92/819484992.db2.gz HAJZGMPOYJRFBU-UHFFFAOYSA-N 1 3 299.462 3.467 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001561052449 938291891 /nfs/dbraw/zinc/29/18/91/938291891.db2.gz BEJGMXBHCLVRHO-YHUYYLMFSA-N 1 3 250.430 3.051 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000591581353 346930050 /nfs/dbraw/zinc/93/00/50/346930050.db2.gz QXWQADILVXIXJH-NUJGCVRESA-N 1 3 283.419 3.185 20 30 CGEDHO CC#CCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000157587490 136388031 /nfs/dbraw/zinc/38/80/31/136388031.db2.gz CBWRJEBLZQBMGY-UHFFFAOYSA-N 1 3 285.435 3.033 20 30 CGEDHO CC#CCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000157587490 136388032 /nfs/dbraw/zinc/38/80/32/136388032.db2.gz CBWRJEBLZQBMGY-UHFFFAOYSA-N 1 3 285.435 3.033 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(C[NH3+])cc1 ZINC000592470668 346992151 /nfs/dbraw/zinc/99/21/51/346992151.db2.gz CBTXYHFIWVAWRZ-LJQANCHMSA-N 1 3 291.398 3.184 20 30 CGEDHO C[C@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459734673 346624897 /nfs/dbraw/zinc/62/48/97/346624897.db2.gz SLTGRGKIYQQQHC-WMZOPIPTSA-N 1 3 299.462 3.426 20 30 CGEDHO C[C@H](NCC(C)(C)CC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459734673 346624901 /nfs/dbraw/zinc/62/49/01/346624901.db2.gz SLTGRGKIYQQQHC-WMZOPIPTSA-N 1 3 299.462 3.426 20 30 CGEDHO C[C@H](NCC(C)(C)CC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459734673 346624904 /nfs/dbraw/zinc/62/49/04/346624904.db2.gz SLTGRGKIYQQQHC-WMZOPIPTSA-N 1 3 299.462 3.426 20 30 CGEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000601289551 347889310 /nfs/dbraw/zinc/88/93/10/347889310.db2.gz OOLYVHQEUKAQSC-XGXHKWSGSA-N 1 3 297.446 3.036 20 30 CGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[C@H](C#N)C1 ZINC000601289551 347889314 /nfs/dbraw/zinc/88/93/14/347889314.db2.gz OOLYVHQEUKAQSC-XGXHKWSGSA-N 1 3 297.446 3.036 20 30 CGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[C@H](C#N)C1 ZINC000601289551 347889316 /nfs/dbraw/zinc/88/93/16/347889316.db2.gz OOLYVHQEUKAQSC-XGXHKWSGSA-N 1 3 297.446 3.036 20 30 CGEDHO CN(CCC[NH2+]C1CCC(C#N)CC1)C1CCCCC1 ZINC000602500948 347970653 /nfs/dbraw/zinc/97/06/53/347970653.db2.gz DGQJFMUIDDBSPH-UHFFFAOYSA-N 1 3 277.456 3.313 20 30 CGEDHO N#CC1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000602572228 347985919 /nfs/dbraw/zinc/98/59/19/347985919.db2.gz ZQYSPNOAIPJWOG-UHFFFAOYSA-N 1 3 275.440 3.065 20 30 CGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123066 349981556 /nfs/dbraw/zinc/98/15/56/349981556.db2.gz FGLHPAUNRMQARZ-BBWFWOEESA-N 1 3 264.457 3.443 20 30 CGEDHO C=C(C)C[NH+]1CCC(N[C@H]2CCCc3ncccc32)CC1 ZINC000631582689 351076973 /nfs/dbraw/zinc/07/69/73/351076973.db2.gz UDMHVWINUQVMFH-SFHVURJKSA-N 1 3 285.435 3.089 20 30 CGEDHO C=CCC[C@H](CC)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635006566 351624438 /nfs/dbraw/zinc/62/44/38/351624438.db2.gz LYILEXSSGFJFMR-IRXDYDNUSA-N 1 3 260.425 3.281 20 30 CGEDHO C=CCC[C@@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1CC1 ZINC000635006937 351625564 /nfs/dbraw/zinc/62/55/64/351625564.db2.gz NDCHTFVZQPROOU-ZWKOTPCHSA-N 1 3 272.436 3.281 20 30 CGEDHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000181439068 189296860 /nfs/dbraw/zinc/29/68/60/189296860.db2.gz BROXWJWZCNZKCN-OAHLLOKOSA-N 1 3 293.414 3.471 20 30 CGEDHO C=CCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000574247972 335003742 /nfs/dbraw/zinc/00/37/42/335003742.db2.gz YBJVYCYULBOVDB-NVXWUHKLSA-N 1 3 262.441 3.291 20 30 CGEDHO C=CCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000574247972 335003743 /nfs/dbraw/zinc/00/37/43/335003743.db2.gz YBJVYCYULBOVDB-NVXWUHKLSA-N 1 3 262.441 3.291 20 30 CGEDHO CC1CCN(CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353428612 220077799 /nfs/dbraw/zinc/07/77/99/220077799.db2.gz SAPWPFSXACFFNS-IBGZPJMESA-N 1 3 297.446 3.257 20 30 CGEDHO CC(C)[C@@H](CN[C@@H]1CC[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000442723059 373069836 /nfs/dbraw/zinc/06/98/36/373069836.db2.gz WQPKCWLXQSRZDL-GVDBMIGSSA-N 1 3 277.456 3.025 20 30 CGEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@@H]1CN(CC)CC ZINC000509121000 375773211 /nfs/dbraw/zinc/77/32/11/375773211.db2.gz HOBGTPNUFBXLMT-HZPDHXFCSA-N 1 3 252.446 3.443 20 30 CGEDHO C=CCC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000245923955 376936062 /nfs/dbraw/zinc/93/60/62/376936062.db2.gz HFXVNLBBQGGUAF-SOLBZPMBSA-N 1 3 294.483 3.210 20 30 CGEDHO C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000351717367 379741477 /nfs/dbraw/zinc/74/14/77/379741477.db2.gz DJAKHHYYJYBHNE-LSDHHAIUSA-N 1 3 250.430 3.195 20 30 CGEDHO C[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000366866305 382322024 /nfs/dbraw/zinc/32/20/24/382322024.db2.gz AWLQWRKMNQJGQS-FUHWJXTLSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@H](NCC1(CC#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366866305 382322033 /nfs/dbraw/zinc/32/20/33/382322033.db2.gz AWLQWRKMNQJGQS-FUHWJXTLSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@H](NCC1(CC#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366866305 382322039 /nfs/dbraw/zinc/32/20/39/382322039.db2.gz AWLQWRKMNQJGQS-FUHWJXTLSA-N 1 3 297.446 3.180 20 30 CGEDHO Cc1cc(CN[C@H](CC[NH+](C)C)C(C)(C)C)ccc1C#N ZINC000443997487 393781265 /nfs/dbraw/zinc/78/12/65/393781265.db2.gz RFRLTRCOJKEQSE-QGZVFWFLSA-N 1 3 287.451 3.323 20 30 CGEDHO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)CN1CCCCC1 ZINC000038042051 174044342 /nfs/dbraw/zinc/04/43/42/174044342.db2.gz FJSPKOVBEPTSLW-CVEARBPZSA-N 1 3 285.435 3.331 20 30 CGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000657531419 419299617 /nfs/dbraw/zinc/29/96/17/419299617.db2.gz YRFAFGTXAWMFGY-QZWWFDLISA-N 1 3 262.441 3.338 20 30 CGEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466064 419616241 /nfs/dbraw/zinc/61/62/41/419616241.db2.gz NRBPFYFNQKIVAV-HOCLYGCPSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CCC1(C[NH2+][C@@H]2CCNCC[C@H]2C)CCCC1 ZINC000423168516 330174215 /nfs/dbraw/zinc/17/42/15/330174215.db2.gz YFLGZFWTPXSCQR-HUUCEWRRSA-N 1 3 250.430 3.101 20 30 CGEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000537049248 330394742 /nfs/dbraw/zinc/39/47/42/330394742.db2.gz YGWRMGMJXCFIJR-RDJZCZTQSA-N 1 3 264.457 3.395 20 30 CGEDHO C=CCCC[C@H](C)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000537049248 330394743 /nfs/dbraw/zinc/39/47/43/330394743.db2.gz YGWRMGMJXCFIJR-RDJZCZTQSA-N 1 3 264.457 3.395 20 30 CGEDHO C=CCCC[C@H](C)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000537049248 330394744 /nfs/dbraw/zinc/39/47/44/330394744.db2.gz YGWRMGMJXCFIJR-RDJZCZTQSA-N 1 3 264.457 3.395 20 30 CGEDHO C=CCCC[C@H](C)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000537049248 330394745 /nfs/dbraw/zinc/39/47/45/330394745.db2.gz YGWRMGMJXCFIJR-RDJZCZTQSA-N 1 3 264.457 3.395 20 30 CGEDHO C=C(CC)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453381839 331125831 /nfs/dbraw/zinc/12/58/31/331125831.db2.gz XUPSTYRGXYGPPS-OAHLLOKOSA-N 1 3 276.424 3.244 20 30 CGEDHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 ZINC000925664478 619118959 /nfs/dbraw/zinc/11/89/59/619118959.db2.gz FKOHSIMQRANIAX-UONOGXRCSA-N 1 3 291.826 3.207 20 30 CGEDHO CN(Cc1ccc(C#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000768262224 627471593 /nfs/dbraw/zinc/47/15/93/627471593.db2.gz IBKAXYBVUPTKKB-UHFFFAOYSA-N 1 3 293.414 3.252 20 30 CGEDHO C=C(Cl)COc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000817961992 632257252 /nfs/dbraw/zinc/25/72/52/632257252.db2.gz FXPMGJHTYPPOGR-YPMHNXCESA-N 1 3 282.815 3.063 20 30 CGEDHO CCCCCCCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000115548864 638566553 /nfs/dbraw/zinc/56/65/53/638566553.db2.gz WIYHWGZGIZUBCR-HZPDHXFCSA-N 1 3 252.446 3.278 20 30 CGEDHO N#CCCCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926133842 638718297 /nfs/dbraw/zinc/71/82/97/638718297.db2.gz TVWBDBSUMJHMAP-YQQQUEKLSA-N 1 3 297.446 3.465 20 30 CGEDHO N#CCCCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926133842 638718299 /nfs/dbraw/zinc/71/82/99/638718299.db2.gz TVWBDBSUMJHMAP-YQQQUEKLSA-N 1 3 297.446 3.465 20 30 CGEDHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCCC1(C#N)CCC1)C2 ZINC000930600825 639035756 /nfs/dbraw/zinc/03/57/56/639035756.db2.gz BOPPQZOENQRUPE-GOSISDBHSA-N 1 3 289.467 3.268 20 30 CGEDHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCCC1(C#N)CCC1)C2 ZINC000930600825 639035762 /nfs/dbraw/zinc/03/57/62/639035762.db2.gz BOPPQZOENQRUPE-GOSISDBHSA-N 1 3 289.467 3.268 20 30 CGEDHO CCN1CCC[C@@H]1CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303705388 640839183 /nfs/dbraw/zinc/83/91/83/640839183.db2.gz KWRIQIBVEYZQNC-MRXNPFEDSA-N 1 3 288.439 3.021 20 30 CGEDHO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCCN(C)CC1 ZINC001254507259 806427387 /nfs/dbraw/zinc/42/73/87/806427387.db2.gz AFBLEWHWINYXHG-JKSUJKDBSA-N 1 3 288.435 3.386 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@H]1CCC[NH2+][C@@H]1C ZINC001245984879 804092781 /nfs/dbraw/zinc/09/27/81/804092781.db2.gz RQYWNSDKNCQSAM-ZACQAIPSSA-N 1 3 284.488 3.076 20 30 CGEDHO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC12CCNCC2 ZINC001246034321 804102225 /nfs/dbraw/zinc/10/22/25/804102225.db2.gz PEXUOLUCPBDGSY-QGZVFWFLSA-N 1 3 294.483 3.092 20 30 CGEDHO C=CCCCCCC[C@@H](O)C[N@H+]1CCCC12CCNCC2 ZINC001246034321 804102229 /nfs/dbraw/zinc/10/22/29/804102229.db2.gz PEXUOLUCPBDGSY-QGZVFWFLSA-N 1 3 294.483 3.092 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[N@@H+]1CCNC[C@@H](C)C1 ZINC001246034251 804102611 /nfs/dbraw/zinc/10/26/11/804102611.db2.gz XAVFTLBUCUUKSD-MSOLQXFVSA-N 1 3 298.515 3.419 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[N@H+]1CCNC[C@@H](C)C1 ZINC001246034251 804102618 /nfs/dbraw/zinc/10/26/18/804102618.db2.gz XAVFTLBUCUUKSD-MSOLQXFVSA-N 1 3 298.515 3.419 20 30 CGEDHO CCCCCCCC[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@@H]1N ZINC001246059881 804105352 /nfs/dbraw/zinc/10/53/52/804105352.db2.gz CBNLYXVKYNJHHY-YESZJQIVSA-N 1 3 284.488 3.300 20 30 CGEDHO CCCCCCCC[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1N ZINC001246059881 804105355 /nfs/dbraw/zinc/10/53/55/804105355.db2.gz CBNLYXVKYNJHHY-YESZJQIVSA-N 1 3 284.488 3.300 20 30 CGEDHO CC[C@H](CC#N)N1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001246595435 804436790 /nfs/dbraw/zinc/43/67/90/804436790.db2.gz MYWADYDZRBIPQZ-MRXNPFEDSA-N 1 3 277.456 3.315 20 30 CGEDHO CCCCCCC[C@H](CC)[N@@H+]1C[C@H]2CNCC[C@H]21 ZINC001246675003 804490285 /nfs/dbraw/zinc/49/02/85/804490285.db2.gz QGRBMIPRRDJXIS-OWCLPIDISA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@H](CC)[N@H+]1C[C@H]2CNCC[C@H]21 ZINC001246675003 804490289 /nfs/dbraw/zinc/49/02/89/804490289.db2.gz QGRBMIPRRDJXIS-OWCLPIDISA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@H](CC)N1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246675003 804490292 /nfs/dbraw/zinc/49/02/92/804490292.db2.gz QGRBMIPRRDJXIS-OWCLPIDISA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@H](CC)[N@@H+]1C[C@H]2CNCC[C@@H]21 ZINC001246675004 804490547 /nfs/dbraw/zinc/49/05/47/804490547.db2.gz QGRBMIPRRDJXIS-PMPSAXMXSA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@H](CC)[N@H+]1C[C@H]2CNCC[C@@H]21 ZINC001246675004 804490550 /nfs/dbraw/zinc/49/05/50/804490550.db2.gz QGRBMIPRRDJXIS-PMPSAXMXSA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@H](CC)N1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246675004 804490553 /nfs/dbraw/zinc/49/05/53/804490553.db2.gz QGRBMIPRRDJXIS-PMPSAXMXSA-N 1 3 252.446 3.419 20 30 CGEDHO C=CC[N@H+](C1CCCCC1)[C@H]1CCN[C@@H](CC)C1 ZINC001246944841 804612029 /nfs/dbraw/zinc/61/20/29/804612029.db2.gz CYPMKPBPLDSWET-HOCLYGCPSA-N 1 3 250.430 3.338 20 30 CGEDHO C=CC[N@@H+](C1CCCCC1)[C@H]1CCN[C@@H](CC)C1 ZINC001246944841 804612033 /nfs/dbraw/zinc/61/20/33/804612033.db2.gz CYPMKPBPLDSWET-HOCLYGCPSA-N 1 3 250.430 3.338 20 30 CGEDHO C=CC[N@H+](C1CCCCC1)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246949368 804616277 /nfs/dbraw/zinc/61/62/77/804616277.db2.gz OSSMGXQZSXKAPN-MIFYACCESA-N 1 3 250.430 3.336 20 30 CGEDHO C=CC[N@@H+](C1CCCCC1)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246949368 804616283 /nfs/dbraw/zinc/61/62/83/804616283.db2.gz OSSMGXQZSXKAPN-MIFYACCESA-N 1 3 250.430 3.336 20 30 CGEDHO C#CCCC1(CCNC2CC(C)(C)[NH+](C)C(C)(C)C2)N=N1 ZINC001171629456 808108425 /nfs/dbraw/zinc/10/84/25/808108425.db2.gz RPRPRJATTJUGMQ-UHFFFAOYSA-N 1 3 290.455 3.193 20 30 CGEDHO CCCN(CCC#N)C1CCC([NH+](CC)CC)CC1 ZINC001173111923 808513927 /nfs/dbraw/zinc/51/39/27/808513927.db2.gz NJGBIMFXVJHQFX-UHFFFAOYSA-N 1 3 265.445 3.265 20 30 CGEDHO CCCCN(C)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173584746 808646385 /nfs/dbraw/zinc/64/63/85/808646385.db2.gz JTTNGXBGDARQGQ-UHFFFAOYSA-N 1 3 265.445 3.170 20 30 CGEDHO C=CCCCCCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001209440453 814042124 /nfs/dbraw/zinc/04/21/24/814042124.db2.gz KORQDUZBRAJYSW-UHFFFAOYSA-N 1 3 250.430 3.151 20 30 CGEDHO C=CCCCCCC[N@@H+]1CCCC12CCNCC2 ZINC001235139971 819014918 /nfs/dbraw/zinc/01/49/18/819014918.db2.gz FOCGBEZGNHETMC-UHFFFAOYSA-N 1 3 250.430 3.341 20 30 CGEDHO C=CCCCCCC[N@H+]1CCCC12CCNCC2 ZINC001235139971 819014923 /nfs/dbraw/zinc/01/49/23/819014923.db2.gz FOCGBEZGNHETMC-UHFFFAOYSA-N 1 3 250.430 3.341 20 30 CGEDHO C=CCCCCN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275414 819713866 /nfs/dbraw/zinc/71/38/66/819713866.db2.gz NDOATPFZSNNDBD-UHFFFAOYSA-N 1 3 284.447 3.480 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000591582573 346929723 /nfs/dbraw/zinc/92/97/23/346929723.db2.gz MCPQRVOZNAHFMV-AEFFLSMTSA-N 1 3 295.430 3.200 20 30 CGEDHO C=CCOc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623521164 349826147 /nfs/dbraw/zinc/82/61/47/349826147.db2.gz MBDFSCUULQWJJV-INIZCTEOSA-N 1 3 288.435 3.214 20 30 CGEDHO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000602535152 347977303 /nfs/dbraw/zinc/97/73/03/347977303.db2.gz OAMRNIADLJVWLT-MJGOQNOKSA-N 1 3 299.462 3.080 20 30 CGEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)CC1(CC#N)CC1 ZINC000602916968 348043307 /nfs/dbraw/zinc/04/33/07/348043307.db2.gz JMWLDTCCOHPJEQ-UHFFFAOYSA-N 1 3 285.435 3.264 20 30 CGEDHO CCCN1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755662 349282620 /nfs/dbraw/zinc/28/26/20/349282620.db2.gz OUFIHQDCPSIVMQ-UHFFFAOYSA-N 1 3 291.826 3.176 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCN1CCCC1 ZINC000360830619 283192107 /nfs/dbraw/zinc/19/21/07/283192107.db2.gz DIHYAJUZDUPYPM-LJQANCHMSA-N 1 3 297.446 3.401 20 30 CGEDHO N#C[C@H]1CC[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000442641181 373061518 /nfs/dbraw/zinc/06/15/18/373061518.db2.gz CTXXGAVEPXPNBN-ROUUACIJSA-N 1 3 283.419 3.064 20 30 CGEDHO C=CCCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000562697632 377349895 /nfs/dbraw/zinc/34/98/95/377349895.db2.gz ACMYDTVLRBSXGG-MRXNPFEDSA-N 1 3 250.430 3.293 20 30 CGEDHO CC#CCCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000462318969 261166652 /nfs/dbraw/zinc/16/66/52/261166652.db2.gz ZKIOXYYRHOJARZ-HXUWFJFHSA-N 1 3 296.458 3.388 20 30 CGEDHO CC#CCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000462318969 261166654 /nfs/dbraw/zinc/16/66/54/261166654.db2.gz ZKIOXYYRHOJARZ-HXUWFJFHSA-N 1 3 296.458 3.388 20 30 CGEDHO C=CCN(Cc1ccccc1F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414691086 263032714 /nfs/dbraw/zinc/03/27/14/263032714.db2.gz NZSHZMWDQHFQHL-GJZGRUSLSA-N 1 3 276.399 3.202 20 30 CGEDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000185895763 329334600 /nfs/dbraw/zinc/33/46/00/329334600.db2.gz WLHWAMKJPGBLSG-LTIDMASMSA-N 1 3 289.467 3.311 20 30 CGEDHO C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185895763 329334602 /nfs/dbraw/zinc/33/46/02/329334602.db2.gz WLHWAMKJPGBLSG-LTIDMASMSA-N 1 3 289.467 3.311 20 30 CGEDHO C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185895763 329334604 /nfs/dbraw/zinc/33/46/04/329334604.db2.gz WLHWAMKJPGBLSG-LTIDMASMSA-N 1 3 289.467 3.311 20 30 CGEDHO C=C(C)[C@@H](N[C@H](C)CCC[NH3+])c1ccc(F)c(F)c1 ZINC000423055114 330167284 /nfs/dbraw/zinc/16/72/84/330167284.db2.gz VVESCYBAHRMGMA-IAQYHMDHSA-N 1 3 268.351 3.299 20 30 CGEDHO N#CCCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453195078 331100038 /nfs/dbraw/zinc/10/00/38/331100038.db2.gz OPNYCYJMMJKBHY-QRVBRYPASA-N 1 3 297.446 3.323 20 30 CGEDHO N#CCCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453195078 331100039 /nfs/dbraw/zinc/10/00/39/331100039.db2.gz OPNYCYJMMJKBHY-QRVBRYPASA-N 1 3 297.446 3.323 20 30 CGEDHO C=CC(C)(C)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000453307394 331114184 /nfs/dbraw/zinc/11/41/84/331114184.db2.gz LBLAWCQEDZHHLY-OAHLLOKOSA-N 1 3 290.451 3.490 20 30 CGEDHO CC(C)[C@@H](CN[C@H]1CCC[C@@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000248815403 334317873 /nfs/dbraw/zinc/31/78/73/334317873.db2.gz KYEUNDGDCLWWIE-FGTMMUONSA-N 1 3 291.483 3.415 20 30 CGEDHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cc(C#N)cs1 ZINC000177685729 335378911 /nfs/dbraw/zinc/37/89/11/335378911.db2.gz KWTWNVMVAKONOX-AWEZNQCLSA-N 1 3 291.464 3.364 20 30 CGEDHO C[C@H]1CCCC[N@H+]1CCCCNCc1cc(C#N)cs1 ZINC000177685729 335378913 /nfs/dbraw/zinc/37/89/13/335378913.db2.gz KWTWNVMVAKONOX-AWEZNQCLSA-N 1 3 291.464 3.364 20 30 CGEDHO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000385140173 336140904 /nfs/dbraw/zinc/14/09/04/336140904.db2.gz IHSHHSJCFYWRJY-RBSFLKMASA-N 1 3 250.430 3.099 20 30 CGEDHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000902742160 621422303 /nfs/dbraw/zinc/42/23/03/621422303.db2.gz KZFIZTWRVZQUJA-CRAIPNDOSA-N 1 3 283.419 3.083 20 30 CGEDHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000902742160 621422307 /nfs/dbraw/zinc/42/23/07/621422307.db2.gz KZFIZTWRVZQUJA-CRAIPNDOSA-N 1 3 283.419 3.083 20 30 CGEDHO Cc1cc(C#N)cc(C)c1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000903453752 621761523 /nfs/dbraw/zinc/76/15/23/621761523.db2.gz KNRYJBXZPDPJCS-IEBWSBKVSA-N 1 3 297.446 3.139 20 30 CGEDHO Cc1cc(C#N)cc(C)c1CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903481839 621765056 /nfs/dbraw/zinc/76/50/56/621765056.db2.gz OCTXSVCFKYQOLN-LJQANCHMSA-N 1 3 297.446 3.141 20 30 CGEDHO N#Cc1ccc(CN2CCCC[C@@H]2C2(C[NH3+])CCC2)cc1 ZINC000903811510 621814279 /nfs/dbraw/zinc/81/42/79/621814279.db2.gz LQPCHIOCURVKBC-QGZVFWFLSA-N 1 3 283.419 3.042 20 30 CGEDHO C=C(Cl)COc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000817952194 632247507 /nfs/dbraw/zinc/24/75/07/632247507.db2.gz IMMRJAOKQLGUIF-STQMWFEESA-N 1 3 282.815 3.206 20 30 CGEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000817964693 632260635 /nfs/dbraw/zinc/26/06/35/632260635.db2.gz FFUDZXPEGKKNJU-WBMJQRKESA-N 1 3 294.826 3.206 20 30 CGEDHO C#CCOc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000843344114 635652550 /nfs/dbraw/zinc/65/25/50/635652550.db2.gz QZQBFRCBFQFLSM-HNNXBMFYSA-N 1 3 294.398 3.008 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001245977076 804091230 /nfs/dbraw/zinc/09/12/30/804091230.db2.gz VFUBCAFATRHDCD-ZACQAIPSSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCC[C@@H](O)CNC[C@H]([NH3+])c1ccccc1 ZINC001245996533 804095334 /nfs/dbraw/zinc/09/53/34/804095334.db2.gz VSQGAORGRXNDPB-MSOLQXFVSA-N 1 3 292.467 3.388 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@H](CC)C[NH3+] ZINC001246000871 804098375 /nfs/dbraw/zinc/09/83/75/804098375.db2.gz MLEMUBBVCOGKRC-CVEARBPZSA-N 1 3 272.477 3.205 20 30 CGEDHO CCCCCCC[C@@H](CC)N[C@H]1COCCC12C[NH2+]C2 ZINC001246137926 804162102 /nfs/dbraw/zinc/16/21/02/804162102.db2.gz KJSAVERRIITZGH-CVEARBPZSA-N 1 3 282.472 3.094 20 30 CGEDHO CCCCCCC[C@@H](CC)[NH2+][C@H]1COCCC12CNC2 ZINC001246137926 804162111 /nfs/dbraw/zinc/16/21/11/804162111.db2.gz KJSAVERRIITZGH-CVEARBPZSA-N 1 3 282.472 3.094 20 30 CGEDHO CCCCCCCCC[C@@H](C)N[C@@H]1COCCC12C[NH2+]C2 ZINC001246139418 804163398 /nfs/dbraw/zinc/16/33/98/804163398.db2.gz TWMNWISMNMUKDW-IAGOWNOFSA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCC[C@H](CCC)[NH2+][C@]1(CCO)CCNC1 ZINC001246292416 804262694 /nfs/dbraw/zinc/26/26/94/804262694.db2.gz JPBUIPVMHAXKOF-IRXDYDNUSA-N 1 3 284.488 3.220 20 30 CGEDHO C#CC1([NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)CCCCC1 ZINC001246461079 804342175 /nfs/dbraw/zinc/34/21/75/804342175.db2.gz BYIZZIAUCLSUGT-RBUKOAKNSA-N 1 3 296.458 3.275 20 30 CGEDHO CCCCCCC[C@H](CC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246467698 804346508 /nfs/dbraw/zinc/34/65/08/804346508.db2.gz VDCXAZNJICXTCM-XHSDSOJGSA-N 1 3 270.461 3.092 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CCC(F)(F)[C@H](CN)C3)C[C@H](C1)C2 ZINC001246562635 804411960 /nfs/dbraw/zinc/41/19/60/804411960.db2.gz YZDZIJOKYQDDCT-PEUVFPKISA-N 1 3 284.394 3.037 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CCC(F)(F)[C@H](CN)C3)C[C@H](C1)C2 ZINC001246562635 804411963 /nfs/dbraw/zinc/41/19/63/804411963.db2.gz YZDZIJOKYQDDCT-PEUVFPKISA-N 1 3 284.394 3.037 20 30 CGEDHO C=C1C[C@@H]2CC(N3CCC(F)(F)[C@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001246562635 804411967 /nfs/dbraw/zinc/41/19/67/804411967.db2.gz YZDZIJOKYQDDCT-PEUVFPKISA-N 1 3 284.394 3.037 20 30 CGEDHO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H](N)[C@@H](F)C1 ZINC001246838166 804545941 /nfs/dbraw/zinc/54/59/41/804545941.db2.gz UEFMJCQJMJUUGO-QLFBSQMISA-N 1 3 258.425 3.497 20 30 CGEDHO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](N)[C@@H](F)C1 ZINC001246838166 804545948 /nfs/dbraw/zinc/54/59/48/804545948.db2.gz UEFMJCQJMJUUGO-QLFBSQMISA-N 1 3 258.425 3.497 20 30 CGEDHO C=CC[N@@H+]([C@H]1CCN[C@@H](C(C)(C)C)C1)C(C)(C)C ZINC001246921884 804602423 /nfs/dbraw/zinc/60/24/23/804602423.db2.gz TUDKCAXWCWIWKC-UONOGXRCSA-N 1 3 252.446 3.440 20 30 CGEDHO C=CC[N@H+]([C@H]1CCN[C@@H](C(C)(C)C)C1)C(C)(C)C ZINC001246921884 804602425 /nfs/dbraw/zinc/60/24/25/804602425.db2.gz TUDKCAXWCWIWKC-UONOGXRCSA-N 1 3 252.446 3.440 20 30 CGEDHO CCCN(CCC#N)[C@H](C)CCC[NH+](CC)CC ZINC001167826847 807255975 /nfs/dbraw/zinc/25/59/75/807255975.db2.gz RNZVRKPAHFUZKM-OAHLLOKOSA-N 1 3 253.434 3.123 20 30 CGEDHO C=CCC[C@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258722417 807571383 /nfs/dbraw/zinc/57/13/83/807571383.db2.gz IEOAABMKZUDULB-INIZCTEOSA-N 1 3 287.451 3.238 20 30 CGEDHO C[C@@H](Cc1cccc(C#N)c1)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001171180483 808002524 /nfs/dbraw/zinc/00/25/24/808002524.db2.gz ATAKVVXDYFSFGT-AWEZNQCLSA-N 1 3 299.462 3.470 20 30 CGEDHO C[C@@H](Cc1cccc(C#N)c1)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001171180483 808002532 /nfs/dbraw/zinc/00/25/32/808002532.db2.gz ATAKVVXDYFSFGT-AWEZNQCLSA-N 1 3 299.462 3.470 20 30 CGEDHO CN1CCC[C@@]2(CCC[N@H+](Cc3ccccc3CC#N)C2)C1 ZINC001276242658 808996188 /nfs/dbraw/zinc/99/61/88/808996188.db2.gz QZDNQTQVRWHIMP-LJQANCHMSA-N 1 3 297.446 3.060 20 30 CGEDHO CN1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3CC#N)C2)C1 ZINC001276242658 808996190 /nfs/dbraw/zinc/99/61/90/808996190.db2.gz QZDNQTQVRWHIMP-LJQANCHMSA-N 1 3 297.446 3.060 20 30 CGEDHO C=CCN(CC=C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204268770 812592026 /nfs/dbraw/zinc/59/20/26/812592026.db2.gz PJJBRIUGNJNCBC-UHFFFAOYSA-N 1 3 288.435 3.191 20 30 CGEDHO C[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205652952 813041747 /nfs/dbraw/zinc/04/17/47/813041747.db2.gz RMHNTGSUWKQNKK-IUODEOHRSA-N 1 3 291.826 3.018 20 30 CGEDHO C[NH+](C)Cc1cc(F)cc(CN2CCC(CC#N)CC2)c1 ZINC001232147287 818264004 /nfs/dbraw/zinc/26/40/04/818264004.db2.gz NKUZVJIGWCVLEJ-UHFFFAOYSA-N 1 3 289.398 3.013 20 30 CGEDHO C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001561052830 938292383 /nfs/dbraw/zinc/29/23/83/938292383.db2.gz MEJFWDXIOJTADE-MWDXBVQZSA-N 1 3 264.457 3.441 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C[NH3+])cc1 ZINC000592470667 346992056 /nfs/dbraw/zinc/99/20/56/346992056.db2.gz CBTXYHFIWVAWRZ-IBGZPJMESA-N 1 3 291.398 3.184 20 30 CGEDHO C=C(CC)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000390808338 346574227 /nfs/dbraw/zinc/57/42/27/346574227.db2.gz OGNGSEFGTBHYJC-GBESFXJTSA-N 1 3 284.447 3.453 20 30 CGEDHO C=C(CC)CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000390808338 346574231 /nfs/dbraw/zinc/57/42/31/346574231.db2.gz OGNGSEFGTBHYJC-GBESFXJTSA-N 1 3 284.447 3.453 20 30 CGEDHO C=C(CC)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000390808338 346574234 /nfs/dbraw/zinc/57/42/34/346574234.db2.gz OGNGSEFGTBHYJC-GBESFXJTSA-N 1 3 284.447 3.453 20 30 CGEDHO CN1CCCC[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071796 347713804 /nfs/dbraw/zinc/71/38/04/347713804.db2.gz TXKJMLASHPEZPS-APWZRJJASA-N 1 3 297.446 3.257 20 30 CGEDHO CC[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000602019677 347934024 /nfs/dbraw/zinc/93/40/24/347934024.db2.gz FEVWKYNBRDSLKR-IAGOWNOFSA-N 1 3 285.435 3.377 20 30 CGEDHO N#CC1CCC(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000335024160 283050004 /nfs/dbraw/zinc/05/00/04/283050004.db2.gz XBJHWKYWWFZPHC-SMELUJQZSA-N 1 3 269.392 3.051 20 30 CGEDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCCC#N)CC1 ZINC000159067338 372103745 /nfs/dbraw/zinc/10/37/45/372103745.db2.gz FVVHLMPZFDPXTC-INIZCTEOSA-N 1 3 277.456 3.267 20 30 CGEDHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCCC#N)CC1 ZINC000159067338 372103746 /nfs/dbraw/zinc/10/37/46/372103746.db2.gz FVVHLMPZFDPXTC-INIZCTEOSA-N 1 3 277.456 3.267 20 30 CGEDHO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000538147711 376223377 /nfs/dbraw/zinc/22/33/77/376223377.db2.gz LCENPBOACRUSPU-CVEARBPZSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000538147711 376223383 /nfs/dbraw/zinc/22/33/83/376223383.db2.gz LCENPBOACRUSPU-CVEARBPZSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCCC[C@@H](C)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000538147711 376223388 /nfs/dbraw/zinc/22/33/88/376223388.db2.gz LCENPBOACRUSPU-CVEARBPZSA-N 1 3 252.446 3.395 20 30 CGEDHO C=CCOc1ccccc1C[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000248151068 377271523 /nfs/dbraw/zinc/27/15/23/377271523.db2.gz QTSXYPRWUFRFSS-RDJZCZTQSA-N 1 3 288.435 3.071 20 30 CGEDHO C[NH+](C)CCCC1CCN(CC#Cc2ccccc2)CC1 ZINC000192140612 130381986 /nfs/dbraw/zinc/38/19/86/130381986.db2.gz HFGAVPNVFDXDNY-UHFFFAOYSA-N 1 3 284.447 3.092 20 30 CGEDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1CC[C@H](C#N)C1 ZINC000339095021 392949929 /nfs/dbraw/zinc/94/99/29/392949929.db2.gz DEDUBFQPBVHXED-QAETUUGQSA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@@H](N(C)CC#CC[N@H+](C)[C@H](C)C1(C)CC1)C1(C)CC1 ZINC000351423372 393189893 /nfs/dbraw/zinc/18/98/93/393189893.db2.gz VNSSPCQIQPGSGQ-HZPDHXFCSA-N 1 3 276.468 3.231 20 30 CGEDHO C[C@@H](N(C)CC#CC[N@@H+](C)[C@H](C)C1(C)CC1)C1(C)CC1 ZINC000351423372 393189903 /nfs/dbraw/zinc/18/99/03/393189903.db2.gz VNSSPCQIQPGSGQ-HZPDHXFCSA-N 1 3 276.468 3.231 20 30 CGEDHO CCC#C[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000680401217 543708464 /nfs/dbraw/zinc/70/84/64/543708464.db2.gz JNMMSHYIRPCZDF-XHSDSOJGSA-N 1 3 262.441 3.031 20 30 CGEDHO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466062 419616113 /nfs/dbraw/zinc/61/61/13/419616113.db2.gz NRBPFYFNQKIVAV-GDBMZVCRSA-N 1 3 250.430 3.053 20 30 CGEDHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447540002 288089835 /nfs/dbraw/zinc/08/98/35/288089835.db2.gz BPGAXYOSUJHJIM-JQFCIGGWSA-N 1 3 271.408 3.082 20 30 CGEDHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447540002 288089838 /nfs/dbraw/zinc/08/98/38/288089838.db2.gz BPGAXYOSUJHJIM-JQFCIGGWSA-N 1 3 271.408 3.082 20 30 CGEDHO CC[NH+]1CCC(CN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000557866409 289461904 /nfs/dbraw/zinc/46/19/04/289461904.db2.gz GJPCTMQVENHAQK-CYBMUJFWSA-N 1 3 289.398 3.080 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@@H](C)CN1CCCC1)C1CC1 ZINC000120312755 330387807 /nfs/dbraw/zinc/38/78/07/330387807.db2.gz XEXWONRVCCKXIN-ZBFHGGJFSA-N 1 3 250.430 3.053 20 30 CGEDHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(C#N)c1 ZINC000903069453 621568341 /nfs/dbraw/zinc/56/83/41/621568341.db2.gz HDLUJGQSJYCCSS-SJLPKXTDSA-N 1 3 285.435 3.331 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000799736016 630228462 /nfs/dbraw/zinc/22/84/62/630228462.db2.gz GDKTWZUPCYPIKZ-KRWDZBQOSA-N 1 3 297.531 3.351 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667331 638385447 /nfs/dbraw/zinc/38/54/47/638385447.db2.gz KZXPFYPFRWENOQ-KFWWJZLASA-N 1 3 265.445 3.025 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000924667331 638385451 /nfs/dbraw/zinc/38/54/51/638385451.db2.gz KZXPFYPFRWENOQ-KFWWJZLASA-N 1 3 265.445 3.025 20 30 CGEDHO C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000925612311 638544711 /nfs/dbraw/zinc/54/47/11/638544711.db2.gz JGTCIEBCNSOJBI-VBNZEHGJSA-N 1 3 271.408 3.115 20 30 CGEDHO CCCCCCCC[C@H](O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001252130697 806017187 /nfs/dbraw/zinc/01/71/87/806017187.db2.gz WTCBMKHFLLWUSF-ROUUACIJSA-N 1 3 296.499 3.126 20 30 CGEDHO CCCCCCCC[C@H](O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001252130697 806017196 /nfs/dbraw/zinc/01/71/96/806017196.db2.gz WTCBMKHFLLWUSF-ROUUACIJSA-N 1 3 296.499 3.126 20 30 CGEDHO C=CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCCN(C)CC1 ZINC001254507256 806428905 /nfs/dbraw/zinc/42/89/05/806428905.db2.gz AFBLEWHWINYXHG-CVEARBPZSA-N 1 3 288.435 3.386 20 30 CGEDHO C#CC(C)(C)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255383097 806630542 /nfs/dbraw/zinc/63/05/42/806630542.db2.gz ZSFZOGXGJJOXNM-QGZVFWFLSA-N 1 3 270.420 3.043 20 30 CGEDHO C#CC(C)(C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383097 806630544 /nfs/dbraw/zinc/63/05/44/806630544.db2.gz ZSFZOGXGJJOXNM-QGZVFWFLSA-N 1 3 270.420 3.043 20 30 CGEDHO C=CC[C@@H]1CCC[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000703657477 799927154 /nfs/dbraw/zinc/92/71/54/799927154.db2.gz YHBJJISDKWPERV-CYBMUJFWSA-N 1 3 276.449 3.182 20 30 CGEDHO C=CC[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000703657477 799927155 /nfs/dbraw/zinc/92/71/55/799927155.db2.gz YHBJJISDKWPERV-CYBMUJFWSA-N 1 3 276.449 3.182 20 30 CGEDHO CC[C@H](NC[C@H]1CCC[N@H+](CC)C1)c1ccc(C#N)cc1 ZINC001256026371 806806299 /nfs/dbraw/zinc/80/62/99/806806299.db2.gz SKGKJAVWLNNRFA-AEFFLSMTSA-N 1 3 285.435 3.331 20 30 CGEDHO CC[C@H](NC[C@H]1CCC[N@@H+](CC)C1)c1ccc(C#N)cc1 ZINC001256026371 806806306 /nfs/dbraw/zinc/80/63/06/806806306.db2.gz SKGKJAVWLNNRFA-AEFFLSMTSA-N 1 3 285.435 3.331 20 30 CGEDHO C=CCCCCCC[C@@H](O)CNC[C@@H]([NH3+])c1ccccc1 ZINC001245994786 804095252 /nfs/dbraw/zinc/09/52/52/804095252.db2.gz PRLOKHUGBBSSSW-QZTJIDSGSA-N 1 3 290.451 3.164 20 30 CGEDHO C=CCC[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246391886 804317605 /nfs/dbraw/zinc/31/76/05/804317605.db2.gz PPCJZFVXBGESEA-OAHLLOKOSA-N 1 3 290.426 3.435 20 30 CGEDHO CCCCCCCC[C@H](CC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246420216 804328495 /nfs/dbraw/zinc/32/84/95/804328495.db2.gz YAXHUDMYORWMCO-HOTGVXAUSA-N 1 3 299.503 3.088 20 30 CGEDHO CCCCCCC[C@H](C)N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001246473897 804350976 /nfs/dbraw/zinc/35/09/76/804350976.db2.gz LIJQMZLBUNMHEY-ZJIFWQFVSA-N 1 3 250.430 3.099 20 30 CGEDHO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H](N)[C@H](F)C1 ZINC001246566686 804415446 /nfs/dbraw/zinc/41/54/46/804415446.db2.gz UEFMJCQJMJUUGO-RBSFLKMASA-N 1 3 258.425 3.497 20 30 CGEDHO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](N)[C@H](F)C1 ZINC001246566686 804415449 /nfs/dbraw/zinc/41/54/49/804415449.db2.gz UEFMJCQJMJUUGO-RBSFLKMASA-N 1 3 258.425 3.497 20 30 CGEDHO CCCCCCCCC[C@H](C)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246642432 804468742 /nfs/dbraw/zinc/46/87/42/804468742.db2.gz LKWOZXHKPWZJEM-ZWKOTPCHSA-N 1 3 295.515 3.153 20 30 CGEDHO C=CCC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H](C)CN ZINC001258721366 807570282 /nfs/dbraw/zinc/57/02/82/807570282.db2.gz TZKNARRKLATWIZ-JKSUJKDBSA-N 1 3 260.425 3.438 20 30 CGEDHO C=CCC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)CN ZINC001258721366 807570285 /nfs/dbraw/zinc/57/02/85/807570285.db2.gz TZKNARRKLATWIZ-JKSUJKDBSA-N 1 3 260.425 3.438 20 30 CGEDHO C=CCC[C@@H](C)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001258722905 807571189 /nfs/dbraw/zinc/57/11/89/807571189.db2.gz OWELBZXVJGSVGO-CQSZACIVSA-N 1 3 276.399 3.430 20 30 CGEDHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173325300 808612926 /nfs/dbraw/zinc/61/29/26/808612926.db2.gz GYRBDONBLXMVRW-VYMRPNJYSA-N 1 3 291.483 3.416 20 30 CGEDHO C=CCCCCCCCCCN1CCO[C@H](CC[NH3+])C1 ZINC001204755316 812727888 /nfs/dbraw/zinc/72/78/88/812727888.db2.gz GKRCHMGNJZGZII-QGZVFWFLSA-N 1 3 282.472 3.343 20 30 CGEDHO CC1(C#N)CC[NH+](C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208954595 813910772 /nfs/dbraw/zinc/91/07/72/813910772.db2.gz WNIZDLFCUIQEBR-SFHVURJKSA-N 1 3 297.446 3.134 20 30 CGEDHO N#Cc1cccc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236372726 819441658 /nfs/dbraw/zinc/44/16/58/819441658.db2.gz CYIAIVIBYUSBRJ-GOSISDBHSA-N 1 3 297.446 3.302 20 30 CGEDHO C[C@@H](CCCC#N)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001172486050 928223011 /nfs/dbraw/zinc/22/30/11/928223011.db2.gz YFEIMZDBZAMBQC-AWEZNQCLSA-N 1 3 263.429 3.065 20 30 CGEDHO CCCN(CCC[NH+](C)C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116973 931956283 /nfs/dbraw/zinc/95/62/83/931956283.db2.gz JNZOTSSOYHNKBS-UHFFFAOYSA-N 1 3 298.434 3.203 20 30 CGEDHO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccccc1SC ZINC001324519948 934518269 /nfs/dbraw/zinc/51/82/69/934518269.db2.gz GAFIQHFGTAWBAZ-AWEZNQCLSA-N 1 3 276.449 3.014 20 30 CGEDHO C#CC[N@H+](C)CCCN[C@@H](C)c1ccccc1SC ZINC001324519948 934518274 /nfs/dbraw/zinc/51/82/74/934518274.db2.gz GAFIQHFGTAWBAZ-AWEZNQCLSA-N 1 3 276.449 3.014 20 30 CGEDHO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC001473132249 937793881 /nfs/dbraw/zinc/79/38/81/937793881.db2.gz CYPWKLDNOQPRTP-SJORKVTESA-N 1 3 264.457 3.395 20 30 CGEDHO C=CC[C@@H](C)[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC001473132249 937793883 /nfs/dbraw/zinc/79/38/83/937793883.db2.gz CYPWKLDNOQPRTP-SJORKVTESA-N 1 3 264.457 3.395 20 30 CGEDHO C=CC[C@@H](C)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132249 937793885 /nfs/dbraw/zinc/79/38/85/937793885.db2.gz CYPWKLDNOQPRTP-SJORKVTESA-N 1 3 264.457 3.395 20 30 CGEDHO CCC#C[C@H](C)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC001576923804 962501940 /nfs/dbraw/zinc/50/19/40/962501940.db2.gz QRSNUKURRSOVEI-DOTOQJQBSA-N 1 3 298.430 3.105 20 30 CGEDHO N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC1CC[NH2+]CC1 ZINC001580036492 962685610 /nfs/dbraw/zinc/68/56/10/962685610.db2.gz XCDOJUOUZHEQRI-MOPGFXCFSA-N 1 3 297.446 3.148 20 30 CGEDHO N#C[C@H]1CC[C@@H](N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000590153400 346832778 /nfs/dbraw/zinc/83/27/78/346832778.db2.gz GJCPHSQPDOBZDA-ZWKOTPCHSA-N 1 3 289.467 3.267 20 30 CGEDHO C=CCCCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000193355392 346269384 /nfs/dbraw/zinc/26/93/84/346269384.db2.gz OGRDRKFKCASHQV-INIZCTEOSA-N 1 3 250.430 3.151 20 30 CGEDHO C=CCCCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000193355392 346269388 /nfs/dbraw/zinc/26/93/88/346269388.db2.gz OGRDRKFKCASHQV-INIZCTEOSA-N 1 3 250.430 3.151 20 30 CGEDHO C=CCCCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000193355392 346269390 /nfs/dbraw/zinc/26/93/90/346269390.db2.gz OGRDRKFKCASHQV-INIZCTEOSA-N 1 3 250.430 3.151 20 30 CGEDHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594501899 347180962 /nfs/dbraw/zinc/18/09/62/347180962.db2.gz DSDVEBLLNZKQPG-QGZVFWFLSA-N 1 3 299.462 3.309 20 30 CGEDHO CC(C)[C@H](N)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000596653906 347499191 /nfs/dbraw/zinc/49/91/91/347499191.db2.gz MFWTXSIISCVUMX-JLAWEPINSA-N 1 3 299.462 3.354 20 30 CGEDHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(C#N)c(F)c1 ZINC000599069294 347713974 /nfs/dbraw/zinc/71/39/74/347713974.db2.gz FKFNZXZYXKICKQ-KGLIPLIRSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@H]1CC[C@H](NC2CCC(C#N)(c3ccccc3)CC2)C[NH2+]1 ZINC000600711116 347829460 /nfs/dbraw/zinc/82/94/60/347829460.db2.gz RCWJIWFORNYZBU-BARLLCKDSA-N 1 3 297.446 3.121 20 30 CGEDHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000414188609 235358892 /nfs/dbraw/zinc/35/88/92/235358892.db2.gz QMGOQRPCEUFHNG-ZIAGYGMSSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000414188609 235358893 /nfs/dbraw/zinc/35/88/93/235358893.db2.gz QMGOQRPCEUFHNG-ZIAGYGMSSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000414196839 235360849 /nfs/dbraw/zinc/36/08/49/235360849.db2.gz VKYQMXJSYRCGBE-KGLIPLIRSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000414196839 235360851 /nfs/dbraw/zinc/36/08/51/235360851.db2.gz VKYQMXJSYRCGBE-KGLIPLIRSA-N 1 3 289.398 3.080 20 30 CGEDHO C=CCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000574247974 335003755 /nfs/dbraw/zinc/00/37/55/335003755.db2.gz YBJVYCYULBOVDB-WBVHZDCISA-N 1 3 262.441 3.291 20 30 CGEDHO C=CCCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000574247974 335003756 /nfs/dbraw/zinc/00/37/56/335003756.db2.gz YBJVYCYULBOVDB-WBVHZDCISA-N 1 3 262.441 3.291 20 30 CGEDHO CN(C)Cc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449059156 373658990 /nfs/dbraw/zinc/65/89/90/373658990.db2.gz ASHBTTJYIVFGMK-UHFFFAOYSA-N 1 3 285.435 3.310 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)N1CCC(CC[NH+](C)C)CC1 ZINC000186764146 374914516 /nfs/dbraw/zinc/91/45/16/374914516.db2.gz KRWMHANCGCMFGI-HNNXBMFYSA-N 1 3 285.435 3.283 20 30 CGEDHO C=C[C@H](C)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336657265 375897193 /nfs/dbraw/zinc/89/71/93/375897193.db2.gz POFBQCSPIBXUFM-YQQAZPJKSA-N 1 3 258.409 3.061 20 30 CGEDHO C=C[C@H](C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657265 375897199 /nfs/dbraw/zinc/89/71/99/375897199.db2.gz POFBQCSPIBXUFM-YQQAZPJKSA-N 1 3 258.409 3.061 20 30 CGEDHO C=C[C@H](C)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336657269 375897222 /nfs/dbraw/zinc/89/72/22/375897222.db2.gz POFBQCSPIBXUFM-ZMSDIMECSA-N 1 3 258.409 3.061 20 30 CGEDHO C=C[C@H](C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657269 375897229 /nfs/dbraw/zinc/89/72/29/375897229.db2.gz POFBQCSPIBXUFM-ZMSDIMECSA-N 1 3 258.409 3.061 20 30 CGEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000538148872 376222622 /nfs/dbraw/zinc/22/26/22/376222622.db2.gz ORLQNKOJRPZLRZ-HRCADAONSA-N 1 3 250.430 3.147 20 30 CGEDHO C=CCCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000538148872 376222628 /nfs/dbraw/zinc/22/26/28/376222628.db2.gz ORLQNKOJRPZLRZ-HRCADAONSA-N 1 3 250.430 3.147 20 30 CGEDHO C=CC[C@H](C)[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000246904919 377117051 /nfs/dbraw/zinc/11/70/51/377117051.db2.gz FOIFXXALMFQBNN-MWDXBVQZSA-N 1 3 282.472 3.066 20 30 CGEDHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249369 393316036 /nfs/dbraw/zinc/31/60/36/393316036.db2.gz MLJMUVFINADHJX-QAPCUYQASA-N 1 3 283.419 3.083 20 30 CGEDHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249369 393316039 /nfs/dbraw/zinc/31/60/39/393316039.db2.gz MLJMUVFINADHJX-QAPCUYQASA-N 1 3 283.419 3.083 20 30 CGEDHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447540001 393864980 /nfs/dbraw/zinc/86/49/80/393864980.db2.gz BPGAXYOSUJHJIM-COXVUDFISA-N 1 3 271.408 3.082 20 30 CGEDHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447540001 393864981 /nfs/dbraw/zinc/86/49/81/393864981.db2.gz BPGAXYOSUJHJIM-COXVUDFISA-N 1 3 271.408 3.082 20 30 CGEDHO CCC[N@H+](CC[C@@H]1CCCN1C)Cc1ccc(C#N)cc1 ZINC000089425266 165204956 /nfs/dbraw/zinc/20/49/56/165204956.db2.gz KHMRGWXHIFQNAE-SFHVURJKSA-N 1 3 285.435 3.255 20 30 CGEDHO CCC[N@@H+](CC[C@@H]1CCCN1C)Cc1ccc(C#N)cc1 ZINC000089425266 165204958 /nfs/dbraw/zinc/20/49/58/165204958.db2.gz KHMRGWXHIFQNAE-SFHVURJKSA-N 1 3 285.435 3.255 20 30 CGEDHO C=CCC[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253369 419093889 /nfs/dbraw/zinc/09/38/89/419093889.db2.gz OYGHWOGWAMYXBZ-SUYBPPKGSA-N 1 3 294.389 3.355 20 30 CGEDHO C=CCOc1ccccc1C[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000161498768 264285835 /nfs/dbraw/zinc/28/58/35/264285835.db2.gz QTSXYPRWUFRFSS-WBVHZDCISA-N 1 3 288.435 3.071 20 30 CGEDHO C=CCC[C@@H](NC[C@H](CC[NH+](C)C)OCC)c1ccco1 ZINC000285504456 264562563 /nfs/dbraw/zinc/56/25/63/264562563.db2.gz AJCSCMXRURQSSO-JKSUJKDBSA-N 1 3 294.439 3.233 20 30 CGEDHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867727 322094523 /nfs/dbraw/zinc/09/45/23/322094523.db2.gz YHVCLCYKMCGAQM-QFBILLFUSA-N 1 3 297.446 3.257 20 30 CGEDHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867727 322094526 /nfs/dbraw/zinc/09/45/26/322094526.db2.gz YHVCLCYKMCGAQM-QFBILLFUSA-N 1 3 297.446 3.257 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000558419131 327092761 /nfs/dbraw/zinc/09/27/61/327092761.db2.gz ORDOWSHPBFZFFX-CVEARBPZSA-N 1 3 252.446 3.441 20 30 CGEDHO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423025198 330166063 /nfs/dbraw/zinc/16/60/63/330166063.db2.gz LBQDOMZGYVBMOZ-CHWSQXEVSA-N 1 3 261.413 3.244 20 30 CGEDHO N#C[C@H]1CC[C@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000442708438 330780077 /nfs/dbraw/zinc/78/00/77/330780077.db2.gz JAQORBYTVQSYNL-YJBOKZPZSA-N 1 3 283.419 3.064 20 30 CGEDHO C=CCCCCCN1CC[C@H](C[NH+](CC)CC)C1 ZINC000193364045 333248709 /nfs/dbraw/zinc/24/87/09/333248709.db2.gz JZHDKVLNMHKONJ-MRXNPFEDSA-N 1 3 252.446 3.397 20 30 CGEDHO C=CCCCCC[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000193364045 333248710 /nfs/dbraw/zinc/24/87/10/333248710.db2.gz JZHDKVLNMHKONJ-MRXNPFEDSA-N 1 3 252.446 3.397 20 30 CGEDHO C=CCCCCC[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000193364045 333248711 /nfs/dbraw/zinc/24/87/11/333248711.db2.gz JZHDKVLNMHKONJ-MRXNPFEDSA-N 1 3 252.446 3.397 20 30 CGEDHO CC[NH+](CC)[C@H](CN[C@H]1CCC[C@@H](C#N)C1)CC(C)C ZINC000248903164 334321537 /nfs/dbraw/zinc/32/15/37/334321537.db2.gz UPUSYXHQZKSFIW-IKGGRYGDSA-N 1 3 279.472 3.415 20 30 CGEDHO CC1CC[NH+](CCCCNCc2cc(C#N)cs2)CC1 ZINC000177685795 335378792 /nfs/dbraw/zinc/37/87/92/335378792.db2.gz WWLDJGLKPBFSAX-UHFFFAOYSA-N 1 3 291.464 3.221 20 30 CGEDHO C[C@H]1CCC[N@H+](CCCCNCC#Cc2ccccc2)C1 ZINC000892583263 618867742 /nfs/dbraw/zinc/86/77/42/618867742.db2.gz BNFGTRNDPZPLLX-SFHVURJKSA-N 1 3 284.447 3.140 20 30 CGEDHO C[C@H]1CCC[N@@H+](CCCCNCC#Cc2ccccc2)C1 ZINC000892583263 618867744 /nfs/dbraw/zinc/86/77/44/618867744.db2.gz BNFGTRNDPZPLLX-SFHVURJKSA-N 1 3 284.447 3.140 20 30 CGEDHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000924958240 619461795 /nfs/dbraw/zinc/46/17/95/619461795.db2.gz DMCCAAVKLYLWNN-GJZGRUSLSA-N 1 3 265.445 3.025 20 30 CGEDHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000924958240 619461800 /nfs/dbraw/zinc/46/18/00/619461800.db2.gz DMCCAAVKLYLWNN-GJZGRUSLSA-N 1 3 265.445 3.025 20 30 CGEDHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)CC(C)(C)C#N)C1 ZINC000924958240 619461804 /nfs/dbraw/zinc/46/18/04/619461804.db2.gz DMCCAAVKLYLWNN-GJZGRUSLSA-N 1 3 265.445 3.025 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000926737295 638805316 /nfs/dbraw/zinc/80/53/16/638805316.db2.gz FAFPKXVULINHOL-GDBMZVCRSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737295 638805319 /nfs/dbraw/zinc/80/53/19/638805319.db2.gz FAFPKXVULINHOL-GDBMZVCRSA-N 1 3 277.456 3.026 20 30 CGEDHO CCCCCCCC[C@@H](O)C[NH2+]CC[C@H]1CCCN1C ZINC001252134621 806019334 /nfs/dbraw/zinc/01/93/34/806019334.db2.gz SCFWCZLFMWXZBB-IAGOWNOFSA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@@H](O)CNCC[C@H]1CCC[N@@H+]1C ZINC001252134621 806019342 /nfs/dbraw/zinc/01/93/42/806019342.db2.gz SCFWCZLFMWXZBB-IAGOWNOFSA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCC[C@@H](O)CNCC[C@H]1CCC[N@H+]1C ZINC001252134621 806019347 /nfs/dbraw/zinc/01/93/47/806019347.db2.gz SCFWCZLFMWXZBB-IAGOWNOFSA-N 1 3 284.488 3.172 20 30 CGEDHO CCCCCCCCCCN(C)C(=O)[C@@H](N)CCCC[NH3+] ZINC001161226487 806359630 /nfs/dbraw/zinc/35/96/30/806359630.db2.gz JDJPXZYGXZIIQT-INIZCTEOSA-N 1 3 299.503 3.042 20 30 CGEDHO CCN(CC)CC[C@H](C)[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001255948371 806794336 /nfs/dbraw/zinc/79/43/36/806794336.db2.gz KURAXQAMXUMXCK-GTPINHCMSA-N 1 3 277.456 3.313 20 30 CGEDHO CC(C)(C)N1CCC([NH2+][C@@H]2CCc3c2cccc3C#N)CC1 ZINC001256563821 806916568 /nfs/dbraw/zinc/91/65/68/806916568.db2.gz HKMUPLGMEWDVKV-GOSISDBHSA-N 1 3 297.446 3.398 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CNC[C@@]1(C)CC[NH2+]C1 ZINC001245985317 804094276 /nfs/dbraw/zinc/09/42/76/804094276.db2.gz AYKRCISZFBZQEC-MSOLQXFVSA-N 1 3 298.515 3.467 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CNC[C@H]1CCC[NH2+]C1 ZINC001245983745 804094309 /nfs/dbraw/zinc/09/43/09/804094309.db2.gz UOADIWSDUZBXCD-ZWKOTPCHSA-N 1 3 298.515 3.467 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001245982165 804094446 /nfs/dbraw/zinc/09/44/46/804094446.db2.gz ITGJGKDALQYXHR-XWTMOSNGSA-N 1 3 296.499 3.076 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001245982165 804094457 /nfs/dbraw/zinc/09/44/57/804094457.db2.gz ITGJGKDALQYXHR-XWTMOSNGSA-N 1 3 296.499 3.076 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@H]1CCC[C@H]1[NH3+] ZINC001245996476 804094632 /nfs/dbraw/zinc/09/46/32/804094632.db2.gz VQFMRDWWMMLTPP-BBWFWOEESA-N 1 3 284.488 3.348 20 30 CGEDHO CCCCCCCCCC[C@H](O)CNC(C)(C)C[NH3+] ZINC001245999224 804095637 /nfs/dbraw/zinc/09/56/37/804095637.db2.gz ZPXRZRKZPMBZAE-HNNXBMFYSA-N 1 3 272.477 3.205 20 30 CGEDHO CCCCCCCC[C@@H](O)CNC[C@@H]([NH3+])c1ccccc1 ZINC001245996543 804096414 /nfs/dbraw/zinc/09/64/14/804096414.db2.gz VSQGAORGRXNDPB-QZTJIDSGSA-N 1 3 292.467 3.388 20 30 CGEDHO CCCCCCCCCC[C@H](O)CNC1(C[NH3+])CCC1 ZINC001246012277 804099195 /nfs/dbraw/zinc/09/91/95/804099195.db2.gz XSSLIJDHIDYHSU-INIZCTEOSA-N 1 3 284.488 3.349 20 30 CGEDHO CCCCCCCCCCN(C)C[C@@]1(O)CCC[NH2+]C1 ZINC001246061199 804104497 /nfs/dbraw/zinc/10/44/97/804104497.db2.gz IQEWOGDIGSJXDQ-QGZVFWFLSA-N 1 3 284.488 3.173 20 30 CGEDHO CCCCCCC[C@@H](CC(C)C)[NH2+][C@]1(CCO)CCNC1 ZINC001246294036 804262745 /nfs/dbraw/zinc/26/27/45/804262745.db2.gz LRWIPVAFDGKIEN-ROUUACIJSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCCCCC[C@@H](CCC)[NH+]1CC2(CNC2)C1 ZINC001246613502 804446713 /nfs/dbraw/zinc/44/67/13/804446713.db2.gz JOGJNLPYTCFOQJ-OAHLLOKOSA-N 1 3 252.446 3.421 20 30 CGEDHO C=C(C)C[N@@H+](CC)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246852299 804561343 /nfs/dbraw/zinc/56/13/43/804561343.db2.gz OPNASYBRJDXQTD-ZWKOTPCHSA-N 1 3 272.436 3.248 20 30 CGEDHO C=C(C)C[N@H+](CC)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246852299 804561348 /nfs/dbraw/zinc/56/13/48/804561348.db2.gz OPNASYBRJDXQTD-ZWKOTPCHSA-N 1 3 272.436 3.248 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+](CCCN)C(C)C)C[C@H](C1)C2 ZINC001257886896 807238928 /nfs/dbraw/zinc/23/89/28/807238928.db2.gz OZPCEBYPWRNPDQ-XYPWUTKMSA-N 1 3 250.430 3.181 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+](CCCN)C(C)C)C[C@H](C1)C2 ZINC001257886896 807238930 /nfs/dbraw/zinc/23/89/30/807238930.db2.gz OZPCEBYPWRNPDQ-XYPWUTKMSA-N 1 3 250.430 3.181 20 30 CGEDHO C=CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063799 808169956 /nfs/dbraw/zinc/16/99/56/808169956.db2.gz DOGIWZSOPBWRFB-BCDXTJNWSA-N 1 3 270.420 3.348 20 30 CGEDHO C=CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063799 808169958 /nfs/dbraw/zinc/16/99/58/808169958.db2.gz DOGIWZSOPBWRFB-BCDXTJNWSA-N 1 3 270.420 3.348 20 30 CGEDHO C[C@H](Cc1ccc(C#N)cc1)[N@H+](CCCN)C1CCCCC1 ZINC001172295545 808218590 /nfs/dbraw/zinc/21/85/90/808218590.db2.gz SUOJGFYEQMUFLD-MRXNPFEDSA-N 1 3 299.462 3.473 20 30 CGEDHO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](CCCN)C1CCCCC1 ZINC001172295545 808218594 /nfs/dbraw/zinc/21/85/94/808218594.db2.gz SUOJGFYEQMUFLD-MRXNPFEDSA-N 1 3 299.462 3.473 20 30 CGEDHO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC001277234369 809065883 /nfs/dbraw/zinc/06/58/83/809065883.db2.gz YXMMLVBPZLCIOI-LJQANCHMSA-N 1 3 297.446 3.038 20 30 CGEDHO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC001277234369 809065890 /nfs/dbraw/zinc/06/58/90/809065890.db2.gz YXMMLVBPZLCIOI-LJQANCHMSA-N 1 3 297.446 3.038 20 30 CGEDHO CCCCCCCCCCN1CCN(CC[NH+](C)C)CC1 ZINC001201853009 811972663 /nfs/dbraw/zinc/97/26/63/811972663.db2.gz XMPNZHXAFPYEAE-UHFFFAOYSA-N 1 3 297.531 3.306 20 30 CGEDHO C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)CC[C@H]1C[NH3+] ZINC001205651691 813042539 /nfs/dbraw/zinc/04/25/39/813042539.db2.gz IFSCVOVXKSRLFH-OCCSQVGLSA-N 1 3 291.826 3.018 20 30 CGEDHO C[NH+](C)CC(C)(C)CN1CCC(c2cccc(C#N)c2)CC1 ZINC001207285225 813536823 /nfs/dbraw/zinc/53/68/23/813536823.db2.gz DKLGCAQVKZSKTR-UHFFFAOYSA-N 1 3 299.462 3.325 20 30 CGEDHO C=CCCCCCC[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001209440913 814042142 /nfs/dbraw/zinc/04/21/42/814042142.db2.gz SACVSXMIAZRSGQ-IRXDYDNUSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCCCCCN1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209440913 814042150 /nfs/dbraw/zinc/04/21/50/814042150.db2.gz SACVSXMIAZRSGQ-IRXDYDNUSA-N 1 3 264.457 3.397 20 30 CGEDHO CCCCCCCCCN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958521 819245969 /nfs/dbraw/zinc/24/59/69/819245969.db2.gz GZAXZPNFKAKALB-MUJYYYPQSA-N 1 3 252.446 3.406 20 30 CGEDHO C=CCCC[N@@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001236441673 819480576 /nfs/dbraw/zinc/48/05/76/819480576.db2.gz TWBJTYHFTXDIQL-UHFFFAOYSA-N 1 3 288.435 3.215 20 30 CGEDHO C=CCCC[N@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001236441673 819480580 /nfs/dbraw/zinc/48/05/80/819480580.db2.gz TWBJTYHFTXDIQL-UHFFFAOYSA-N 1 3 288.435 3.215 20 30 CGEDHO C=CCCCN(Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236441673 819480585 /nfs/dbraw/zinc/48/05/85/819480585.db2.gz TWBJTYHFTXDIQL-UHFFFAOYSA-N 1 3 288.435 3.215 20 30 CGEDHO C#Cc1ccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001236457803 819486198 /nfs/dbraw/zinc/48/61/98/819486198.db2.gz QGTRTIGFSJJUHG-UHFFFAOYSA-N 1 3 284.447 3.268 20 30 CGEDHO C#Cc1ccc(C[N@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001236457803 819486200 /nfs/dbraw/zinc/48/62/00/819486200.db2.gz QGTRTIGFSJJUHG-UHFFFAOYSA-N 1 3 284.447 3.268 20 30 CGEDHO C#CCC1([NH2+]CCCN(CC)CC)CCCCC1 ZINC001460831033 937547298 /nfs/dbraw/zinc/54/72/98/937547298.db2.gz QSZNUYNOKKYHAZ-UHFFFAOYSA-N 1 3 250.430 3.034 20 30 CGEDHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096295 934000144 /nfs/dbraw/zinc/00/01/44/934000144.db2.gz RHQNUFMYVVZKSB-UONOGXRCSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)N1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576301211 962446713 /nfs/dbraw/zinc/44/67/13/962446713.db2.gz NHPSDXIYWOXNSR-ZTFGCOKTSA-N 1 3 283.419 3.070 20 30 CGEDHO C=CC[NH+]1CCC(NCc2ccc(Cl)c(OC)c2)CC1 ZINC000623407739 349801092 /nfs/dbraw/zinc/80/10/92/349801092.db2.gz UTFFPGTWAPTSRV-UHFFFAOYSA-N 1 3 294.826 3.089 20 30 CGEDHO Cc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1C#N ZINC000599269376 347730897 /nfs/dbraw/zinc/73/08/97/347730897.db2.gz PQEXVYLRZSERBW-UHFFFAOYSA-N 1 3 285.435 3.030 20 30 CGEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000601289552 347889487 /nfs/dbraw/zinc/88/94/87/347889487.db2.gz OOLYVHQEUKAQSC-YSHGAJCASA-N 1 3 297.446 3.036 20 30 CGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[C@@H](C#N)C1 ZINC000601289552 347889490 /nfs/dbraw/zinc/88/94/90/347889490.db2.gz OOLYVHQEUKAQSC-YSHGAJCASA-N 1 3 297.446 3.036 20 30 CGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[C@@H](C#N)C1 ZINC000601289552 347889492 /nfs/dbraw/zinc/88/94/92/347889492.db2.gz OOLYVHQEUKAQSC-YSHGAJCASA-N 1 3 297.446 3.036 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CC1 ZINC000624121908 349980452 /nfs/dbraw/zinc/98/04/52/349980452.db2.gz FWHWZKGWCKOXLR-ZBFHGGJFSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635010198 351628128 /nfs/dbraw/zinc/62/81/28/351628128.db2.gz YZICHSIXEPIZFC-ZOBUZTSGSA-N 1 3 260.425 3.137 20 30 CGEDHO C[NH+](C)CCCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093688702 138348081 /nfs/dbraw/zinc/34/80/81/138348081.db2.gz LJHHBMLEDKMAHX-UHFFFAOYSA-N 1 3 291.464 3.174 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC[C@@H]1CCCCN1C ZINC000187700898 375076930 /nfs/dbraw/zinc/07/69/30/375076930.db2.gz NTXRIONJEIZIGP-YJBOKZPZSA-N 1 3 285.435 3.425 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000187700898 375076940 /nfs/dbraw/zinc/07/69/40/375076940.db2.gz NTXRIONJEIZIGP-YJBOKZPZSA-N 1 3 285.435 3.425 20 30 CGEDHO C=CCC[C@@H](CC)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477927827 375145929 /nfs/dbraw/zinc/14/59/29/375145929.db2.gz BRXCFZBAMYJTOA-OAHLLOKOSA-N 1 3 252.446 3.443 20 30 CGEDHO CC#CCCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000482169145 375169432 /nfs/dbraw/zinc/16/94/32/375169432.db2.gz ZCDHKCFPVSQWAL-WBVHZDCISA-N 1 3 262.441 3.033 20 30 CGEDHO CC#CCC[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000482169145 375169433 /nfs/dbraw/zinc/16/94/33/375169433.db2.gz ZCDHKCFPVSQWAL-WBVHZDCISA-N 1 3 262.441 3.033 20 30 CGEDHO C=C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499221579 375630695 /nfs/dbraw/zinc/63/06/95/375630695.db2.gz ZWWOMEZGABWLAD-DDBAPUKQSA-N 1 3 270.420 3.346 20 30 CGEDHO C=C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221579 375630701 /nfs/dbraw/zinc/63/07/01/375630701.db2.gz ZWWOMEZGABWLAD-DDBAPUKQSA-N 1 3 270.420 3.346 20 30 CGEDHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccc(C#N)c1 ZINC000245954561 376942459 /nfs/dbraw/zinc/94/24/59/376942459.db2.gz XCIRODXSAPEBMF-RRQGHBQHSA-N 1 3 271.408 3.082 20 30 CGEDHO C[N@@H+]1CC[C@@H](NCC(C)(C)CC#N)C[C@@H]1c1ccccc1 ZINC000414163397 380195269 /nfs/dbraw/zinc/19/52/69/380195269.db2.gz IMVHDDONCJDZAU-IAGOWNOFSA-N 1 3 285.435 3.351 20 30 CGEDHO C[N@H+]1CC[C@@H](NCC(C)(C)CC#N)C[C@@H]1c1ccccc1 ZINC000414163397 380195273 /nfs/dbraw/zinc/19/52/73/380195273.db2.gz IMVHDDONCJDZAU-IAGOWNOFSA-N 1 3 285.435 3.351 20 30 CGEDHO C=CCC[C@@H](NC[C@@H](CC[NH+](C)C)OCC)c1ccco1 ZINC000285504449 392324366 /nfs/dbraw/zinc/32/43/66/392324366.db2.gz AJCSCMXRURQSSO-HZPDHXFCSA-N 1 3 294.439 3.233 20 30 CGEDHO C=CCC[C@H](NC[C@@H](CC[NH+](C)C)OCC)c1ccco1 ZINC000285504434 392324575 /nfs/dbraw/zinc/32/45/75/392324575.db2.gz AJCSCMXRURQSSO-CVEARBPZSA-N 1 3 294.439 3.233 20 30 CGEDHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839020 393595830 /nfs/dbraw/zinc/59/58/30/393595830.db2.gz WAFWRFIPPJZXFG-QFBILLFUSA-N 1 3 297.446 3.257 20 30 CGEDHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839020 393595833 /nfs/dbraw/zinc/59/58/33/393595833.db2.gz WAFWRFIPPJZXFG-QFBILLFUSA-N 1 3 297.446 3.257 20 30 CGEDHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839020 393595840 /nfs/dbraw/zinc/59/58/40/393595840.db2.gz WAFWRFIPPJZXFG-QFBILLFUSA-N 1 3 297.446 3.257 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000663344310 419566284 /nfs/dbraw/zinc/56/62/84/419566284.db2.gz RENBEGQOTPATSM-NJAFHUGGSA-N 1 3 276.468 3.443 20 30 CGEDHO CC[NH+]1CCC(CN[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000557866413 289461953 /nfs/dbraw/zinc/46/19/53/289461953.db2.gz GJPCTMQVENHAQK-ZDUSSCGKSA-N 1 3 289.398 3.080 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000247977543 290221870 /nfs/dbraw/zinc/22/18/70/290221870.db2.gz HZDJQWPMSQSDIB-OLMNPRSZSA-N 1 3 283.419 3.035 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000247977543 290221871 /nfs/dbraw/zinc/22/18/71/290221871.db2.gz HZDJQWPMSQSDIB-OLMNPRSZSA-N 1 3 283.419 3.035 20 30 CGEDHO C=CCC[C@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000422998861 330163397 /nfs/dbraw/zinc/16/33/97/330163397.db2.gz RIQHVXGMZHYZSO-IRXDYDNUSA-N 1 3 258.409 3.426 20 30 CGEDHO CC(C)(CCC#N)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423130359 330171969 /nfs/dbraw/zinc/17/19/69/330171969.db2.gz RYFFVRRZZRPNPT-LSDHHAIUSA-N 1 3 257.381 3.051 20 30 CGEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000537049246 330394819 /nfs/dbraw/zinc/39/48/19/330394819.db2.gz YGWRMGMJXCFIJR-DOTOQJQBSA-N 1 3 264.457 3.395 20 30 CGEDHO C=CCCC[C@H](C)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000537049246 330394820 /nfs/dbraw/zinc/39/48/20/330394820.db2.gz YGWRMGMJXCFIJR-DOTOQJQBSA-N 1 3 264.457 3.395 20 30 CGEDHO C=CCCC[C@H](C)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000537049246 330394821 /nfs/dbraw/zinc/39/48/21/330394821.db2.gz YGWRMGMJXCFIJR-DOTOQJQBSA-N 1 3 264.457 3.395 20 30 CGEDHO C=CCCC[C@H](C)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000537049246 330394822 /nfs/dbraw/zinc/39/48/22/330394822.db2.gz YGWRMGMJXCFIJR-DOTOQJQBSA-N 1 3 264.457 3.395 20 30 CGEDHO C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)CN1CCCCC1 ZINC000449086284 330898072 /nfs/dbraw/zinc/89/80/72/330898072.db2.gz BUESIPURBIKYLW-KLAILNCOSA-N 1 3 277.456 3.170 20 30 CGEDHO C[C@H]1CCCCN1CCC[NH2+]CC(C)(C)CCC#N ZINC000135132668 334117019 /nfs/dbraw/zinc/11/70/19/334117019.db2.gz QAMBULGJUXGLBD-HNNXBMFYSA-N 1 3 265.445 3.170 20 30 CGEDHO CC(C)[C@@H](CN[C@@H]1CCC[C@@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000248815408 334317897 /nfs/dbraw/zinc/31/78/97/334317897.db2.gz KYEUNDGDCLWWIE-KZNAEPCWSA-N 1 3 291.483 3.415 20 30 CGEDHO C=CCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000381860822 336074728 /nfs/dbraw/zinc/07/47/28/336074728.db2.gz IXJLKGGRBKIEHJ-GUDVDZBRSA-N 1 3 284.447 3.453 20 30 CGEDHO C=C(CC)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347960221 526860142 /nfs/dbraw/zinc/86/01/42/526860142.db2.gz PLZRTCWMUHCZNJ-GJZGRUSLSA-N 1 3 250.430 3.195 20 30 CGEDHO C=C(CC)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347960221 526860147 /nfs/dbraw/zinc/86/01/47/526860147.db2.gz PLZRTCWMUHCZNJ-GJZGRUSLSA-N 1 3 250.430 3.195 20 30 CGEDHO C=C(CC)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000347960221 526860151 /nfs/dbraw/zinc/86/01/51/526860151.db2.gz PLZRTCWMUHCZNJ-GJZGRUSLSA-N 1 3 250.430 3.195 20 30 CGEDHO C=C(CC)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347960223 526860308 /nfs/dbraw/zinc/86/03/08/526860308.db2.gz PLZRTCWMUHCZNJ-LSDHHAIUSA-N 1 3 250.430 3.195 20 30 CGEDHO C=C(CC)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347960223 526860311 /nfs/dbraw/zinc/86/03/11/526860311.db2.gz PLZRTCWMUHCZNJ-LSDHHAIUSA-N 1 3 250.430 3.195 20 30 CGEDHO C=C(CC)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000347960223 526860314 /nfs/dbraw/zinc/86/03/14/526860314.db2.gz PLZRTCWMUHCZNJ-LSDHHAIUSA-N 1 3 250.430 3.195 20 30 CGEDHO CCC(N)(CC)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423290644 528951444 /nfs/dbraw/zinc/95/14/44/528951444.db2.gz DWFVZBOQPRFVRN-QGZVFWFLSA-N 1 3 285.435 3.433 20 30 CGEDHO C[C@H](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N(C)C ZINC000895296547 619799562 /nfs/dbraw/zinc/79/95/62/619799562.db2.gz OOMYOVKEYZIIGK-IPJUCJBFSA-N 1 3 299.462 3.320 20 30 CGEDHO C[C@@H](CN(C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000895378531 619816595 /nfs/dbraw/zinc/81/65/95/619816595.db2.gz QVGAGRMWOCXXES-MAUKXSAKSA-N 1 3 285.435 3.110 20 30 CGEDHO C[C@@H](CN(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000895378531 619816597 /nfs/dbraw/zinc/81/65/97/619816597.db2.gz QVGAGRMWOCXXES-MAUKXSAKSA-N 1 3 285.435 3.110 20 30 CGEDHO C#C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000809685509 626767681 /nfs/dbraw/zinc/76/76/81/626767681.db2.gz XMDFREPYEDCAGA-NEWSRXKRSA-N 1 3 284.447 3.287 20 30 CGEDHO C#C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000809685509 626767685 /nfs/dbraw/zinc/76/76/85/626767685.db2.gz XMDFREPYEDCAGA-NEWSRXKRSA-N 1 3 284.447 3.287 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCCO1 ZINC000883185914 636572002 /nfs/dbraw/zinc/57/20/02/636572002.db2.gz GRCRMGSDWQHVDP-OKZBNKHCSA-N 1 3 294.483 3.210 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000924569520 638364431 /nfs/dbraw/zinc/36/44/31/638364431.db2.gz IVUFVCPPQMHUFA-GFCCVEGCSA-N 1 3 265.445 3.214 20 30 CGEDHO CCCCCCCC[C@@H](O)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001252130095 806015552 /nfs/dbraw/zinc/01/55/52/806015552.db2.gz KXQNDLSWZBFTHX-QGZVFWFLSA-N 1 3 296.499 3.126 20 30 CGEDHO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001253256180 806197652 /nfs/dbraw/zinc/19/76/52/806197652.db2.gz RZJLESLXGJZVHL-BZSNNMDCSA-N 1 3 296.499 3.336 20 30 CGEDHO C#CC1([NH2+][C@@H](C)CCN(CC)CC)CCCCC1 ZINC001255951102 806795683 /nfs/dbraw/zinc/79/56/83/806795683.db2.gz FYFZQFTWQUORFY-HNNXBMFYSA-N 1 3 250.430 3.033 20 30 CGEDHO CCN(CC)CC[C@H](C)[NH2+]CCCCCCS ZINC001255953574 806796806 /nfs/dbraw/zinc/79/68/06/806796806.db2.gz STEKTSSYQQLHST-AWEZNQCLSA-N 1 3 260.491 3.187 20 30 CGEDHO C#C[C@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)C ZINC000716624123 800177732 /nfs/dbraw/zinc/17/77/32/800177732.db2.gz DKFIAUDUOLTHJC-YRPNKDGESA-N 1 3 296.458 3.287 20 30 CGEDHO C#C[C@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716624123 800177736 /nfs/dbraw/zinc/17/77/36/800177736.db2.gz DKFIAUDUOLTHJC-YRPNKDGESA-N 1 3 296.458 3.287 20 30 CGEDHO C#C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC000716624123 800177739 /nfs/dbraw/zinc/17/77/39/800177739.db2.gz DKFIAUDUOLTHJC-YRPNKDGESA-N 1 3 296.458 3.287 20 30 CGEDHO CCCCCCCCCCCC[C@H](O)CNCC1C[NH2+]C1 ZINC001245975721 804092674 /nfs/dbraw/zinc/09/26/74/804092674.db2.gz QEPWHCMPKRHMLW-SFHVURJKSA-N 1 3 298.515 3.467 20 30 CGEDHO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCNC[C@@H](C)C1 ZINC001246034252 804101768 /nfs/dbraw/zinc/10/17/68/804101768.db2.gz XAVFTLBUCUUKSD-QZTJIDSGSA-N 1 3 298.515 3.419 20 30 CGEDHO CCCCCCCCCC[C@@H](O)C[N@H+]1CCNC[C@@H](C)C1 ZINC001246034252 804101777 /nfs/dbraw/zinc/10/17/77/804101777.db2.gz XAVFTLBUCUUKSD-QZTJIDSGSA-N 1 3 298.515 3.419 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN1CC[C@@H](C[NH2+]C)C1 ZINC001246048853 804105000 /nfs/dbraw/zinc/10/50/00/804105000.db2.gz NZXKEMXXJYRRFT-ROUUACIJSA-N 1 3 298.515 3.419 20 30 CGEDHO CCCCCCC[C@@H](C)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246517915 804372384 /nfs/dbraw/zinc/37/23/84/804372384.db2.gz NPEDTBULPZBSNE-CJNGLKHVSA-N 1 3 252.446 3.323 20 30 CGEDHO C=CCC[C@H](C)N1CCC([NH3+])(c2ccccc2OC)CC1 ZINC001258722767 807571367 /nfs/dbraw/zinc/57/13/67/807571367.db2.gz NAJWUJWNXKYJFF-HNNXBMFYSA-N 1 3 288.435 3.300 20 30 CGEDHO C=CCC[C@@H](C)N1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001258724285 807572424 /nfs/dbraw/zinc/57/24/24/807572424.db2.gz SPSOOOHMYVTYKY-OAHLLOKOSA-N 1 3 288.435 3.300 20 30 CGEDHO CN1C(C)(C)CC([NH2+][C@H]2CC[C@@H](C#N)CC2)CC1(C)C ZINC001171622157 808106708 /nfs/dbraw/zinc/10/67/08/808106708.db2.gz WFJUOXBRUFBXRD-OKILXGFUSA-N 1 3 277.456 3.310 20 30 CGEDHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001172108685 808176183 /nfs/dbraw/zinc/17/61/83/808176183.db2.gz YBTOADAJUIGSLS-RUGDWHBFSA-N 1 3 283.419 3.224 20 30 CGEDHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001172108685 808176185 /nfs/dbraw/zinc/17/61/85/808176185.db2.gz YBTOADAJUIGSLS-RUGDWHBFSA-N 1 3 283.419 3.224 20 30 CGEDHO CN(C)CC1(C[N@H+](C)Cc2ccc(C#N)cc2)CCCC1 ZINC001208188874 813737727 /nfs/dbraw/zinc/73/77/27/813737727.db2.gz BNBKNFYYIXLDGU-UHFFFAOYSA-N 1 3 285.435 3.112 20 30 CGEDHO CN(C)CC1(C[N@@H+](C)Cc2ccc(C#N)cc2)CCCC1 ZINC001208188874 813737729 /nfs/dbraw/zinc/73/77/29/813737729.db2.gz BNBKNFYYIXLDGU-UHFFFAOYSA-N 1 3 285.435 3.112 20 30 CGEDHO C=CCCCCCN1CCN(CCC[NH+](CC)CC)CC1 ZINC001209429114 814029659 /nfs/dbraw/zinc/02/96/59/814029659.db2.gz UNRBWGGXUDRJAF-UHFFFAOYSA-N 1 3 295.515 3.082 20 30 CGEDHO CCCCN1CCC([N@H+](C)Cc2ccccc2CC#N)CC1 ZINC001235526467 819116382 /nfs/dbraw/zinc/11/63/82/819116382.db2.gz DJKHUQUDJSLZND-UHFFFAOYSA-N 1 3 299.462 3.449 20 30 CGEDHO CCCCN1CCC([N@@H+](C)Cc2ccccc2CC#N)CC1 ZINC001235526467 819116386 /nfs/dbraw/zinc/11/63/86/819116386.db2.gz DJKHUQUDJSLZND-UHFFFAOYSA-N 1 3 299.462 3.449 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN(CC)C[C@@H]2CC[NH2+]C2)CC1 ZINC001236407179 819454512 /nfs/dbraw/zinc/45/45/12/819454512.db2.gz CYESXQFQZQXUKT-IAGOWNOFSA-N 1 3 262.441 3.220 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001462661846 937657890 /nfs/dbraw/zinc/65/78/90/937657890.db2.gz CCDVLSVZWNDLPK-YHUYYLMFSA-N 1 3 250.430 3.051 20 30 CGEDHO CC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000591582999 346929953 /nfs/dbraw/zinc/92/99/53/346929953.db2.gz ZKKYGWXPFYQCDV-DLBZAZTESA-N 1 3 283.419 3.274 20 30 CGEDHO C=C(CC)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000390808340 346574328 /nfs/dbraw/zinc/57/43/28/346574328.db2.gz OGNGSEFGTBHYJC-IPMKNSEASA-N 1 3 284.447 3.453 20 30 CGEDHO C=C(CC)CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000390808340 346574330 /nfs/dbraw/zinc/57/43/30/346574330.db2.gz OGNGSEFGTBHYJC-IPMKNSEASA-N 1 3 284.447 3.453 20 30 CGEDHO C=C(CC)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000390808340 346574332 /nfs/dbraw/zinc/57/43/32/346574332.db2.gz OGNGSEFGTBHYJC-IPMKNSEASA-N 1 3 284.447 3.453 20 30 CGEDHO N#Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000596653035 347498729 /nfs/dbraw/zinc/49/87/29/347498729.db2.gz YSHPJXRVXXHJGA-IPMKNSEASA-N 1 3 297.446 3.001 20 30 CGEDHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132030 347538416 /nfs/dbraw/zinc/53/84/16/347538416.db2.gz FYRCWOQURBBEHP-QAPCUYQASA-N 1 3 297.446 3.014 20 30 CGEDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132030 347538419 /nfs/dbraw/zinc/53/84/19/347538419.db2.gz FYRCWOQURBBEHP-QAPCUYQASA-N 1 3 297.446 3.014 20 30 CGEDHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132028 347538437 /nfs/dbraw/zinc/53/84/37/347538437.db2.gz FYRCWOQURBBEHP-CRAIPNDOSA-N 1 3 297.446 3.014 20 30 CGEDHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132028 347538441 /nfs/dbraw/zinc/53/84/41/347538441.db2.gz FYRCWOQURBBEHP-CRAIPNDOSA-N 1 3 297.446 3.014 20 30 CGEDHO C[C@@H](CCC#N)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000602451651 347960343 /nfs/dbraw/zinc/96/03/43/347960343.db2.gz RBKRFQKDYDDFSD-ROUUACIJSA-N 1 3 291.483 3.370 20 30 CGEDHO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000602451651 347960345 /nfs/dbraw/zinc/96/03/45/347960345.db2.gz RBKRFQKDYDDFSD-ROUUACIJSA-N 1 3 291.483 3.370 20 30 CGEDHO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000602451651 347960346 /nfs/dbraw/zinc/96/03/46/347960346.db2.gz RBKRFQKDYDDFSD-ROUUACIJSA-N 1 3 291.483 3.370 20 30 CGEDHO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123058 349982121 /nfs/dbraw/zinc/98/21/21/349982121.db2.gz DXKDKDBATYFXNN-HZPDHXFCSA-N 1 3 252.446 3.443 20 30 CGEDHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000181699832 189304275 /nfs/dbraw/zinc/30/42/75/189304275.db2.gz MYUFMWTXMDHLHQ-DOTOQJQBSA-N 1 3 285.435 3.329 20 30 CGEDHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1cccc(C#N)c1 ZINC000423093924 371959168 /nfs/dbraw/zinc/95/91/68/371959168.db2.gz APWHBUVKEFCWDJ-CRAIPNDOSA-N 1 3 285.435 3.001 20 30 CGEDHO CC(C)[C@@H](CN[C@H]1CC[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000442723062 373069927 /nfs/dbraw/zinc/06/99/27/373069927.db2.gz WQPKCWLXQSRZDL-YESZJQIVSA-N 1 3 277.456 3.025 20 30 CGEDHO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000180949424 374062811 /nfs/dbraw/zinc/06/28/11/374062811.db2.gz VCCUCFSRIOEBDB-CABCVRRESA-N 1 3 276.424 3.242 20 30 CGEDHO CC#CCCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000482169144 375167913 /nfs/dbraw/zinc/16/79/13/375167913.db2.gz ZCDHKCFPVSQWAL-RDJZCZTQSA-N 1 3 262.441 3.033 20 30 CGEDHO CC#CCC[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000482169144 375167918 /nfs/dbraw/zinc/16/79/18/375167918.db2.gz ZCDHKCFPVSQWAL-RDJZCZTQSA-N 1 3 262.441 3.033 20 30 CGEDHO C=CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000193401771 375873150 /nfs/dbraw/zinc/87/31/50/375873150.db2.gz UYJGUTDFBUGBOZ-HOTGVXAUSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000193401771 375873152 /nfs/dbraw/zinc/87/31/52/375873152.db2.gz UYJGUTDFBUGBOZ-HOTGVXAUSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000538148873 376223348 /nfs/dbraw/zinc/22/33/48/376223348.db2.gz ORLQNKOJRPZLRZ-JYJNAYRXSA-N 1 3 250.430 3.147 20 30 CGEDHO C=CCCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000538148873 376223350 /nfs/dbraw/zinc/22/33/50/376223350.db2.gz ORLQNKOJRPZLRZ-JYJNAYRXSA-N 1 3 250.430 3.147 20 30 CGEDHO C=CCC[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccco1 ZINC000643537113 380353706 /nfs/dbraw/zinc/35/37/06/380353706.db2.gz ZLFGVNQTUGAYCQ-UKRRQHHQSA-N 1 3 260.381 3.019 20 30 CGEDHO C=CCOCCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339025267 392941945 /nfs/dbraw/zinc/94/19/45/392941945.db2.gz CVKLJWPJBSTDKY-KRWDZBQOSA-N 1 3 294.483 3.166 20 30 CGEDHO C=CCOCCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000339025267 392941949 /nfs/dbraw/zinc/94/19/49/392941949.db2.gz CVKLJWPJBSTDKY-KRWDZBQOSA-N 1 3 294.483 3.166 20 30 CGEDHO C=CC[C@H](CC)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000684930580 544041434 /nfs/dbraw/zinc/04/14/34/544041434.db2.gz GPAFCXKPPWBCTE-INIZCTEOSA-N 1 3 276.424 3.071 20 30 CGEDHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442637380 330777971 /nfs/dbraw/zinc/77/79/71/330777971.db2.gz OUUPDSSCAKGABH-CRAIPNDOSA-N 1 3 285.435 3.310 20 30 CGEDHO C[C@H](CC[NH2+]C1CCC(C)(C#N)CC1)N1CCCCC1 ZINC000449237623 330908458 /nfs/dbraw/zinc/90/84/58/330908458.db2.gz CGDVFRSMPSFYSP-KLAILNCOSA-N 1 3 277.456 3.313 20 30 CGEDHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]CC(C)(C)CCC#N)C1 ZINC000174273438 335151875 /nfs/dbraw/zinc/15/18/75/335151875.db2.gz JFZXTVRECNHRCF-IYBDPMFKSA-N 1 3 279.472 3.274 20 30 CGEDHO N#CCCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248413230 334300842 /nfs/dbraw/zinc/30/08/42/334300842.db2.gz LBKWXSMZWFVPFN-IPMKNSEASA-N 1 3 297.446 3.180 20 30 CGEDHO C=CCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000385866805 336158154 /nfs/dbraw/zinc/15/81/54/336158154.db2.gz XXZGPQHOXFAVJV-OWCLPIDISA-N 1 3 250.430 3.243 20 30 CGEDHO C=CCC[C@@H](CC)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382174 621723701 /nfs/dbraw/zinc/72/37/01/621723701.db2.gz DAFKEXGKCIVVIC-SJORKVTESA-N 1 3 275.440 3.409 20 30 CGEDHO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000863543081 629601968 /nfs/dbraw/zinc/60/19/68/629601968.db2.gz VOVORZYPMASCPQ-CABCVRRESA-N 1 3 250.430 3.386 20 30 CGEDHO C#CC[N@@H+](C)CCCN[C@H](C)c1ccccc1SCC ZINC000815652547 631814325 /nfs/dbraw/zinc/81/43/25/631814325.db2.gz HSFXHYUKAJXQCP-OAHLLOKOSA-N 1 3 290.476 3.404 20 30 CGEDHO C#CC[N@H+](C)CCCN[C@H](C)c1ccccc1SCC ZINC000815652547 631814326 /nfs/dbraw/zinc/81/43/26/631814326.db2.gz HSFXHYUKAJXQCP-OAHLLOKOSA-N 1 3 290.476 3.404 20 30 CGEDHO N#C[C@@H]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000866561843 633192471 /nfs/dbraw/zinc/19/24/71/633192471.db2.gz MLQGUMXRMULKGA-VYDXJSESSA-N 1 3 275.440 3.065 20 30 CGEDHO N#C[C@@H]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000866561843 633192475 /nfs/dbraw/zinc/19/24/75/633192475.db2.gz MLQGUMXRMULKGA-VYDXJSESSA-N 1 3 275.440 3.065 20 30 CGEDHO C#CCCCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000878412546 635496627 /nfs/dbraw/zinc/49/66/27/635496627.db2.gz VUDROGUJQROQIM-IRXDYDNUSA-N 1 3 276.468 3.423 20 30 CGEDHO CC(C)[C@@H](CN[C@H](C)CC(C)(C)C#N)[NH+]1CCCC1 ZINC000924634647 638380360 /nfs/dbraw/zinc/38/03/60/638380360.db2.gz ZTYVXXIQSXXBRG-HUUCEWRRSA-N 1 3 265.445 3.025 20 30 CGEDHO CC[C@@H](CC#N)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001255161280 806560032 /nfs/dbraw/zinc/56/00/32/806560032.db2.gz XTQXKMVPMOYEQI-KRWDZBQOSA-N 1 3 277.456 3.170 20 30 CGEDHO C=CC[C@H]1CCC[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000703657478 799926769 /nfs/dbraw/zinc/92/67/69/799926769.db2.gz YHBJJISDKWPERV-ZDUSSCGKSA-N 1 3 276.449 3.182 20 30 CGEDHO C=CC[C@H]1CCC[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000703657478 799926774 /nfs/dbraw/zinc/92/67/74/799926774.db2.gz YHBJJISDKWPERV-ZDUSSCGKSA-N 1 3 276.449 3.182 20 30 CGEDHO C#C[C@H](CC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716721305 800178887 /nfs/dbraw/zinc/17/88/87/800178887.db2.gz ZXZINZVTJHSOKR-MANSERQUSA-N 1 3 282.431 3.041 20 30 CGEDHO CCCCCCCC[C@@H](O)CNC[C@@H]1CCCC[NH2+]C1 ZINC001245980417 804093177 /nfs/dbraw/zinc/09/31/77/804093177.db2.gz DSEFCBZIAJRFKJ-IAGOWNOFSA-N 1 3 284.488 3.077 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CNC[C@@H]1CCC[NH2+]C1 ZINC001245983742 804093272 /nfs/dbraw/zinc/09/32/72/804093272.db2.gz UOADIWSDUZBXCD-QZTJIDSGSA-N 1 3 298.515 3.467 20 30 CGEDHO CCCCCCCC[C@@H](O)CNC[C@]12CCC[C@H]1C[NH2+]C2 ZINC001245988381 804093528 /nfs/dbraw/zinc/09/35/28/804093528.db2.gz VPUJNXZVNJSOBP-RCCFBDPRSA-N 1 3 296.499 3.077 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CNC[C@@H]1CC[NH2+][C@@H]1C ZINC001245994164 804096170 /nfs/dbraw/zinc/09/61/70/804096170.db2.gz QHEPPSZJMBATMM-FGTMMUONSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN[C@@H](C)C1C[NH2+]C1 ZINC001245998299 804096193 /nfs/dbraw/zinc/09/61/93/804096193.db2.gz GAWUGHWWKLINCF-DOTOQJQBSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246007942 804097215 /nfs/dbraw/zinc/09/72/15/804097215.db2.gz ZIEJCPIEBXQNKA-MLHJIOFPSA-N 1 3 296.499 3.361 20 30 CGEDHO CCCCCCCC[C@H](O)CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246007942 804097224 /nfs/dbraw/zinc/09/72/24/804097224.db2.gz ZIEJCPIEBXQNKA-MLHJIOFPSA-N 1 3 296.499 3.361 20 30 CGEDHO N#Cc1ccc(C2CCC(N[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246092601 804125583 /nfs/dbraw/zinc/12/55/83/804125583.db2.gz SVYUHGQGIAYVDV-ACBHZAAOSA-N 1 3 297.446 3.316 20 30 CGEDHO CCCCCCCCC[C@@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246420696 804327579 /nfs/dbraw/zinc/32/75/79/804327579.db2.gz YQRPKZXZYXZAIL-CVEARBPZSA-N 1 3 299.503 3.088 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H](C)[C@@H](CN)C3)C[C@H](C1)C2 ZINC001246551978 804402699 /nfs/dbraw/zinc/40/26/99/804402699.db2.gz OBJQYUWGQSHGTM-ILUDGRTOSA-N 1 3 262.441 3.038 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](C)[C@@H](CN)C3)C[C@H](C1)C2 ZINC001246551978 804402700 /nfs/dbraw/zinc/40/27/00/804402700.db2.gz OBJQYUWGQSHGTM-ILUDGRTOSA-N 1 3 262.441 3.038 20 30 CGEDHO CCCCCCC[C@@H](CC(C)C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246588956 804431940 /nfs/dbraw/zinc/43/19/40/804431940.db2.gz YFQVDJZCXQRFDP-YESZJQIVSA-N 1 3 284.488 3.013 20 30 CGEDHO CCCCCCC[C@@H](CC(C)C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246588956 804431944 /nfs/dbraw/zinc/43/19/44/804431944.db2.gz YFQVDJZCXQRFDP-YESZJQIVSA-N 1 3 284.488 3.013 20 30 CGEDHO C=CCCCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209164182 813955203 /nfs/dbraw/zinc/95/52/03/813955203.db2.gz UINCKMVOFJTCSV-RTBURBONSA-N 1 3 284.447 3.407 20 30 CGEDHO C=CCCCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209164182 813955206 /nfs/dbraw/zinc/95/52/06/813955206.db2.gz UINCKMVOFJTCSV-RTBURBONSA-N 1 3 284.447 3.407 20 30 CGEDHO C=CCCCCC[NH+]1CCC(N(C)C2CC2)CC1 ZINC001209433191 814033934 /nfs/dbraw/zinc/03/39/34/814033934.db2.gz RGZNOSCJARSIAR-UHFFFAOYSA-N 1 3 250.430 3.291 20 30 CGEDHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000591570981 346929270 /nfs/dbraw/zinc/92/92/70/346929270.db2.gz NQYHZHASJANZDI-STQMWFEESA-N 1 3 294.402 3.132 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000591578342 346930322 /nfs/dbraw/zinc/93/03/22/346930322.db2.gz RUNYDOPQODZOSS-WMZOPIPTSA-N 1 3 283.419 3.057 20 30 CGEDHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000596652871 347498303 /nfs/dbraw/zinc/49/83/03/347498303.db2.gz JOEXLEIQISEEIL-QZTJIDSGSA-N 1 3 285.435 3.289 20 30 CGEDHO CC[NH+](CC)CC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599266705 347729934 /nfs/dbraw/zinc/72/99/34/347729934.db2.gz QIBGZRUVUZITPZ-UHFFFAOYSA-N 1 3 299.462 3.421 20 30 CGEDHO C[C@H](CCC#N)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000618888402 349176491 /nfs/dbraw/zinc/17/64/91/349176491.db2.gz XHXDUJVUURFBNP-OWCLPIDISA-N 1 3 277.456 3.169 20 30 CGEDHO N#Cc1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423097122 371961081 /nfs/dbraw/zinc/96/10/81/371961081.db2.gz ISAOYCHZLKONFF-CEXWTWQISA-N 1 3 297.446 3.001 20 30 CGEDHO N#C[C@H]1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000335835232 375468794 /nfs/dbraw/zinc/46/87/94/375468794.db2.gz OIAJSARXQKLQQZ-GOEBONIOSA-N 1 3 275.440 3.065 20 30 CGEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000538148874 376223193 /nfs/dbraw/zinc/22/31/93/376223193.db2.gz ORLQNKOJRPZLRZ-XHSDSOJGSA-N 1 3 250.430 3.147 20 30 CGEDHO C=CCCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000538148874 376223203 /nfs/dbraw/zinc/22/32/03/376223203.db2.gz ORLQNKOJRPZLRZ-XHSDSOJGSA-N 1 3 250.430 3.147 20 30 CGEDHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248919231 377430327 /nfs/dbraw/zinc/43/03/27/377430327.db2.gz WLHWAMKJPGBLSG-YLFCFFPRSA-N 1 3 289.467 3.311 20 30 CGEDHO C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248919231 377430333 /nfs/dbraw/zinc/43/03/33/377430333.db2.gz WLHWAMKJPGBLSG-YLFCFFPRSA-N 1 3 289.467 3.311 20 30 CGEDHO C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248919231 377430339 /nfs/dbraw/zinc/43/03/39/377430339.db2.gz WLHWAMKJPGBLSG-YLFCFFPRSA-N 1 3 289.467 3.311 20 30 CGEDHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271963445 378531873 /nfs/dbraw/zinc/53/18/73/378531873.db2.gz UVLATAHSHYTPKY-CQSZACIVSA-N 1 3 289.398 3.224 20 30 CGEDHO C=CC[N@H+](CC1CCCCC1)C[C@@H]1CCCNC1 ZINC000346982255 378702296 /nfs/dbraw/zinc/70/22/96/378702296.db2.gz NSPFRYQFFVRHOR-MRXNPFEDSA-N 1 3 250.430 3.054 20 30 CGEDHO C=CC[N@@H+](CC1CCCCC1)C[C@@H]1CCCNC1 ZINC000346982255 378702302 /nfs/dbraw/zinc/70/23/02/378702302.db2.gz NSPFRYQFFVRHOR-MRXNPFEDSA-N 1 3 250.430 3.054 20 30 CGEDHO C=CCN(CC1CCCCC1)C[C@@H]1CCC[NH2+]C1 ZINC000346982255 378702306 /nfs/dbraw/zinc/70/23/06/378702306.db2.gz NSPFRYQFFVRHOR-MRXNPFEDSA-N 1 3 250.430 3.054 20 30 CGEDHO C[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000366866307 382322052 /nfs/dbraw/zinc/32/20/52/382322052.db2.gz AWLQWRKMNQJGQS-WMZOPIPTSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@H](NCC1(CC#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366866307 382322058 /nfs/dbraw/zinc/32/20/58/382322058.db2.gz AWLQWRKMNQJGQS-WMZOPIPTSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@H](NCC1(CC#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366866307 382322066 /nfs/dbraw/zinc/32/20/66/382322066.db2.gz AWLQWRKMNQJGQS-WMZOPIPTSA-N 1 3 297.446 3.180 20 30 CGEDHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430342 393222635 /nfs/dbraw/zinc/22/26/35/393222635.db2.gz WIXQGEQWKACWAD-QFBILLFUSA-N 1 3 297.446 3.256 20 30 CGEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000678698230 543549928 /nfs/dbraw/zinc/54/99/28/543549928.db2.gz NJUFRHCJAXQUPZ-JYJNAYRXSA-N 1 3 250.430 3.338 20 30 CGEDHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1cccc(C#N)c1 ZINC000183951927 287017424 /nfs/dbraw/zinc/01/74/24/287017424.db2.gz ALVLRLYXIUOXFF-OAHLLOKOSA-N 1 3 285.435 3.331 20 30 CGEDHO C=CCOCCCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000658210506 419660566 /nfs/dbraw/zinc/66/05/66/419660566.db2.gz SVNYBCZPLMHSAO-FUHWJXTLSA-N 1 3 294.483 3.212 20 30 CGEDHO C=CCOCCC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000658210506 419660575 /nfs/dbraw/zinc/66/05/75/419660575.db2.gz SVNYBCZPLMHSAO-FUHWJXTLSA-N 1 3 294.483 3.212 20 30 CGEDHO C=CC1CCN(CC(C)C[NH+]2CCC(C=C)CC2)CC1 ZINC000532557220 328789858 /nfs/dbraw/zinc/78/98/58/328789858.db2.gz AUULZJLYCRICGP-UHFFFAOYSA-N 1 3 276.468 3.419 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)C1CC1 ZINC000121006858 330394848 /nfs/dbraw/zinc/39/48/48/330394848.db2.gz USRMPAAPLPQQIB-WBVHZDCISA-N 1 3 264.457 3.441 20 30 CGEDHO CC(C)(C[NH2+]C1CCC(C)(C#N)CC1)CN1CCCC1 ZINC000449286779 330912006 /nfs/dbraw/zinc/91/20/06/330912006.db2.gz VJYDYYKNCCZLTE-UHFFFAOYSA-N 1 3 277.456 3.170 20 30 CGEDHO N#CCCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248413227 334300681 /nfs/dbraw/zinc/30/06/81/334300681.db2.gz LBKWXSMZWFVPFN-CEXWTWQISA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000052205643 525364111 /nfs/dbraw/zinc/36/41/11/525364111.db2.gz LOZMUVUEGLFARY-YOEHRIQHSA-N 1 3 271.408 3.083 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2ccc3ncccc3c2)CC1 ZINC000106246401 526604839 /nfs/dbraw/zinc/60/48/39/526604839.db2.gz KECBQLYCRJCCCK-UHFFFAOYSA-N 1 3 295.430 3.365 20 30 CGEDHO C=CCCCCC[C@H](C)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790963 619249836 /nfs/dbraw/zinc/24/98/36/619249836.db2.gz JVEWJJLTXHVKSB-IRXDYDNUSA-N 1 3 294.483 3.260 20 30 CGEDHO C[C@H](CN(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000895378533 619816468 /nfs/dbraw/zinc/81/64/68/619816468.db2.gz QVGAGRMWOCXXES-QAPCUYQASA-N 1 3 285.435 3.110 20 30 CGEDHO C[C@H](CN(C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000895378533 619816469 /nfs/dbraw/zinc/81/64/69/619816469.db2.gz QVGAGRMWOCXXES-QAPCUYQASA-N 1 3 285.435 3.110 20 30 CGEDHO C[C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)[C@H]1CCN ZINC000903768412 621803566 /nfs/dbraw/zinc/80/35/66/621803566.db2.gz MTELAROYOXWROM-CVEARBPZSA-N 1 3 277.456 3.300 20 30 CGEDHO C[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@H]1CCN ZINC000903768412 621803568 /nfs/dbraw/zinc/80/35/68/621803568.db2.gz MTELAROYOXWROM-CVEARBPZSA-N 1 3 277.456 3.300 20 30 CGEDHO C[C@H](NCc1cc2c(s1)CC[NH2+]C2)c1cccc(C#N)c1 ZINC000903950107 621840950 /nfs/dbraw/zinc/84/09/50/621840950.db2.gz IKYFESUGLSJPGJ-LBPRGKRZSA-N 1 3 297.427 3.116 20 30 CGEDHO C=CCCCCC[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000817965630 625625428 /nfs/dbraw/zinc/62/54/28/625625428.db2.gz AZBMAHFGXZHHGD-HZPDHXFCSA-N 1 3 252.446 3.491 20 30 CGEDHO C#CCCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285573 635444517 /nfs/dbraw/zinc/44/45/17/635444517.db2.gz CFQPWWWPWZTEAP-AEFFLSMTSA-N 1 3 274.452 3.129 20 30 CGEDHO C#CCCCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878285573 635444525 /nfs/dbraw/zinc/44/45/25/635444525.db2.gz CFQPWWWPWZTEAP-AEFFLSMTSA-N 1 3 274.452 3.129 20 30 CGEDHO C=CCCCCCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880473951 636007228 /nfs/dbraw/zinc/00/72/28/636007228.db2.gz QWPKJSRAVWNQOF-UHFFFAOYSA-N 1 3 250.430 3.293 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000926634740 638792829 /nfs/dbraw/zinc/79/28/29/638792829.db2.gz ICSSLGFGMYGQLY-NXHRZFHOSA-N 1 3 299.462 3.250 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926634740 638792831 /nfs/dbraw/zinc/79/28/31/638792831.db2.gz ICSSLGFGMYGQLY-NXHRZFHOSA-N 1 3 299.462 3.250 20 30 CGEDHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C#N)C1 ZINC001254672054 806480949 /nfs/dbraw/zinc/48/09/49/806480949.db2.gz WWXJTBGBHSWAOV-QAETUUGQSA-N 1 3 275.440 3.017 20 30 CGEDHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H](C#N)C1 ZINC001254672054 806480953 /nfs/dbraw/zinc/48/09/53/806480953.db2.gz WWXJTBGBHSWAOV-QAETUUGQSA-N 1 3 275.440 3.017 20 30 CGEDHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@H]1CC[C@H](C#N)C1 ZINC001254672054 806480959 /nfs/dbraw/zinc/48/09/59/806480959.db2.gz WWXJTBGBHSWAOV-QAETUUGQSA-N 1 3 275.440 3.017 20 30 CGEDHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@H]1CC[C@H](C#N)C1 ZINC001254672054 806480964 /nfs/dbraw/zinc/48/09/64/806480964.db2.gz WWXJTBGBHSWAOV-QAETUUGQSA-N 1 3 275.440 3.017 20 30 CGEDHO N#CC1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255399678 806632677 /nfs/dbraw/zinc/63/26/77/806632677.db2.gz XDJCSSVHTQQPMZ-LJQANCHMSA-N 1 3 297.446 3.277 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@@H]1CCC[NH2+][C@H]1C ZINC001245984874 804093323 /nfs/dbraw/zinc/09/33/23/804093323.db2.gz RQYWNSDKNCQSAM-ULQDDVLXSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN[C@@H]1CCC[C@H]1[NH3+] ZINC001245996483 804094599 /nfs/dbraw/zinc/09/45/99/804094599.db2.gz VQFMRDWWMMLTPP-GVDBMIGSSA-N 1 3 284.488 3.348 20 30 CGEDHO CCCCCCCCCC[C@H](O)CNC[C@H]1CC[NH2+]C1 ZINC001245994382 804095537 /nfs/dbraw/zinc/09/55/37/804095537.db2.gz RIMFSSFWUVZQJF-IRXDYDNUSA-N 1 3 284.488 3.077 20 30 CGEDHO CCCCCCCC[C@H](O)CN[C@H](C[NH3+])CC(C)C ZINC001246016169 804098277 /nfs/dbraw/zinc/09/82/77/804098277.db2.gz SIAYGMUBOFUZFP-HOTGVXAUSA-N 1 3 272.477 3.061 20 30 CGEDHO CCCCCCCCCCN(C)C[C@]1(O)CCC[NH2+]C1 ZINC001246061198 804104414 /nfs/dbraw/zinc/10/44/14/804104414.db2.gz IQEWOGDIGSJXDQ-KRWDZBQOSA-N 1 3 284.488 3.173 20 30 CGEDHO C=C1C[C@@H]2CC(NC[C@H]3CC[C@@H](C)C[NH2+]3)C[C@H](C1)C2 ZINC001246109529 804141159 /nfs/dbraw/zinc/14/11/59/804141159.db2.gz XWCUMKNNAJHXLE-KYEPVHRCSA-N 1 3 262.441 3.099 20 30 CGEDHO C=CCC[C@H](C)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246449789 804335803 /nfs/dbraw/zinc/33/58/03/804335803.db2.gz XXXRRDSSOGHVNR-AWEZNQCLSA-N 1 3 250.430 3.243 20 30 CGEDHO C#CC1([NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)CCCCC1 ZINC001246461080 804341375 /nfs/dbraw/zinc/34/13/75/804341375.db2.gz BYIZZIAUCLSUGT-RTBURBONSA-N 1 3 296.458 3.275 20 30 CGEDHO CCCCCCCC[C@H](CC)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246646885 804474063 /nfs/dbraw/zinc/47/40/63/804474063.db2.gz ORYRPTWLNXMJTO-SQNIBIBYSA-N 1 3 296.499 3.029 20 30 CGEDHO CCCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246659567 804484243 /nfs/dbraw/zinc/48/42/43/804484243.db2.gz SZPSLEYJGMNFFW-WCVJEAGWSA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246659567 804484247 /nfs/dbraw/zinc/48/42/47/804484247.db2.gz SZPSLEYJGMNFFW-WCVJEAGWSA-N 1 3 252.446 3.405 20 30 CGEDHO CCCCCCC[C@@H](CC)N1CC[C@@](F)(C[NH3+])C1 ZINC001246947111 804613574 /nfs/dbraw/zinc/61/35/74/804613574.db2.gz VKNJLYLXKGUYFW-HUUCEWRRSA-N 1 3 258.425 3.498 20 30 CGEDHO CN(C1CC1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173597756 808650970 /nfs/dbraw/zinc/65/09/70/808650970.db2.gz HZTOJVIXLQKPFW-UHFFFAOYSA-N 1 3 275.440 3.017 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CN2CCCCC2)C1 ZINC001199583280 811581287 /nfs/dbraw/zinc/58/12/87/811581287.db2.gz WNRWXOPCGLLLEB-BRWVUGGUSA-N 1 3 264.457 3.443 20 30 CGEDHO CCCCCCCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001201840366 811969400 /nfs/dbraw/zinc/96/94/00/811969400.db2.gz VKUHOFKERNFRDV-UHFFFAOYSA-N 1 3 252.446 3.375 20 30 CGEDHO C=CCCCCCC[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001209440912 814040477 /nfs/dbraw/zinc/04/04/77/814040477.db2.gz SACVSXMIAZRSGQ-IAGOWNOFSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCCCCCN1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001209440912 814040485 /nfs/dbraw/zinc/04/04/85/814040485.db2.gz SACVSXMIAZRSGQ-IAGOWNOFSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCCCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234979552 818970010 /nfs/dbraw/zinc/97/00/10/818970010.db2.gz PHGKJAYYEBNDJK-IYBDPMFKSA-N 1 3 250.430 3.054 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+](CC)C2CCNCC2)CC1 ZINC001235758365 819162149 /nfs/dbraw/zinc/16/21/49/819162149.db2.gz DVKZZOAANPYWMX-MRXNPFEDSA-N 1 3 262.441 3.363 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@H+](CC)C2CCNCC2)CC1 ZINC001235758365 819162151 /nfs/dbraw/zinc/16/21/51/819162151.db2.gz DVKZZOAANPYWMX-MRXNPFEDSA-N 1 3 262.441 3.363 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN(CC)C2CC[NH2+]CC2)CC1 ZINC001235758365 819162154 /nfs/dbraw/zinc/16/21/54/819162154.db2.gz DVKZZOAANPYWMX-MRXNPFEDSA-N 1 3 262.441 3.363 20 30 CGEDHO CCN(C[C@@H]1CCCC[NH2+]C1)[C@H](C)c1ccc(C#N)cc1 ZINC001577707502 962566622 /nfs/dbraw/zinc/56/66/22/962566622.db2.gz MNUMCJHOGXZNAQ-NVXWUHKLSA-N 1 3 285.435 3.331 20 30 CGEDHO CC[N@H+](CCCCC#N)Cc1ccc(CN(C)C)cc1 ZINC000599658611 347762335 /nfs/dbraw/zinc/76/23/35/347762335.db2.gz CVHMRRGZNXILEH-UHFFFAOYSA-N 1 3 273.424 3.264 20 30 CGEDHO CC[N@@H+](CCCCC#N)Cc1ccc(CN(C)C)cc1 ZINC000599658611 347762338 /nfs/dbraw/zinc/76/23/38/347762338.db2.gz CVHMRRGZNXILEH-UHFFFAOYSA-N 1 3 273.424 3.264 20 30 CGEDHO C[C@@H](NCC[C@H]([NH3+])Cc1ccccc1)c1cccc(C#N)c1 ZINC000602020883 347933883 /nfs/dbraw/zinc/93/38/83/347933883.db2.gz ORQJTGSNAZGUCL-BEFAXECRSA-N 1 3 293.414 3.169 20 30 CGEDHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1cccc(C#N)c1 ZINC000611388198 348443623 /nfs/dbraw/zinc/44/36/23/348443623.db2.gz YKXFZASKKTVSAS-YOEHRIQHSA-N 1 3 271.408 3.083 20 30 CGEDHO CC(C)(CCC#N)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683913 370153922 /nfs/dbraw/zinc/15/39/22/370153922.db2.gz YQBRDMLKOINKHN-INIZCTEOSA-N 1 3 277.456 3.124 20 30 CGEDHO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000093683913 370153924 /nfs/dbraw/zinc/15/39/24/370153924.db2.gz YQBRDMLKOINKHN-INIZCTEOSA-N 1 3 277.456 3.124 20 30 CGEDHO CC(C)(CCC#N)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000093683913 370153927 /nfs/dbraw/zinc/15/39/27/370153927.db2.gz YQBRDMLKOINKHN-INIZCTEOSA-N 1 3 277.456 3.124 20 30 CGEDHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442658069 373062865 /nfs/dbraw/zinc/06/28/65/373062865.db2.gz WXMKGRHPAKIJEH-QZTJIDSGSA-N 1 3 285.435 3.310 20 30 CGEDHO C[N@@H+]1CC[C@H](NCC(C)(C)CC#N)C[C@@H]1c1ccccc1 ZINC000414163396 380195242 /nfs/dbraw/zinc/19/52/42/380195242.db2.gz IMVHDDONCJDZAU-DLBZAZTESA-N 1 3 285.435 3.351 20 30 CGEDHO C[N@H+]1CC[C@H](NCC(C)(C)CC#N)C[C@@H]1c1ccccc1 ZINC000414163396 380195246 /nfs/dbraw/zinc/19/52/46/380195246.db2.gz IMVHDDONCJDZAU-DLBZAZTESA-N 1 3 285.435 3.351 20 30 CGEDHO C=CCC(C)(C)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000645185074 380607718 /nfs/dbraw/zinc/60/77/18/380607718.db2.gz DEUJLEFFLONRAP-UHFFFAOYSA-N 1 3 290.451 3.319 20 30 CGEDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1CC[C@@H](C#N)C1 ZINC000339095022 392948909 /nfs/dbraw/zinc/94/89/09/392948909.db2.gz DEDUBFQPBVHXED-QZWWFDLISA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000423289440 286927572 /nfs/dbraw/zinc/92/75/72/286927572.db2.gz AVXVZDQRNFWCGW-ZIAGYGMSSA-N 1 3 279.387 3.429 20 30 CGEDHO C[C@@H](c1ccc(C#N)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000118397428 287130863 /nfs/dbraw/zinc/13/08/63/287130863.db2.gz YTDQVCPSPFLPHC-INIZCTEOSA-N 1 3 297.446 3.427 20 30 CGEDHO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)CN1CCCCC1 ZINC000038041724 174042706 /nfs/dbraw/zinc/04/27/06/174042706.db2.gz GCBCZNYVSYKEIN-HOTGVXAUSA-N 1 3 285.435 3.331 20 30 CGEDHO C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)CN1CCCCC1 ZINC000038042053 174044155 /nfs/dbraw/zinc/04/41/55/174044155.db2.gz FJSPKOVBEPTSLW-HZPDHXFCSA-N 1 3 285.435 3.331 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000663344308 419569207 /nfs/dbraw/zinc/56/92/07/419569207.db2.gz RENBEGQOTPATSM-BPQIPLTHSA-N 1 3 276.468 3.443 20 30 CGEDHO CC[NH+]1CCC(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000336368413 276151449 /nfs/dbraw/zinc/15/14/49/276151449.db2.gz QOZTXTZGZRWXNP-GOSISDBHSA-N 1 3 283.419 3.010 20 30 CGEDHO CC(C)CN1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000154317915 277386755 /nfs/dbraw/zinc/38/67/55/277386755.db2.gz TXNBENKSXAHYHU-OAHLLOKOSA-N 1 3 285.435 3.329 20 30 CGEDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(C#N)cc1 ZINC000181859909 278370502 /nfs/dbraw/zinc/37/05/02/278370502.db2.gz CCDWPUCWVOBBSS-XYPHTWIQSA-N 1 3 271.408 3.082 20 30 CGEDHO CC(C)(CCC#N)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000176992430 329180356 /nfs/dbraw/zinc/18/03/56/329180356.db2.gz RTRMVBFTPMLIIM-UHFFFAOYSA-N 1 3 277.456 3.313 20 30 CGEDHO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423025199 330165907 /nfs/dbraw/zinc/16/59/07/330165907.db2.gz LBQDOMZGYVBMOZ-OLZOCXBDSA-N 1 3 261.413 3.244 20 30 CGEDHO C[C@H](C[C@H](C)[NH3+])N[C@@H](CCCC#N)c1ccccc1 ZINC000423126879 330171586 /nfs/dbraw/zinc/17/15/86/330171586.db2.gz JFNYWGVSPIFKIW-LZWOXQAQSA-N 1 3 259.397 3.137 20 30 CGEDHO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423136847 330172207 /nfs/dbraw/zinc/17/22/07/330172207.db2.gz PTJHHQZGCUULGK-GFCCVEGCSA-N 1 3 261.413 3.102 20 30 CGEDHO C=CCC[C@H](NCCC1=CC[NH2+]CC1)c1ccco1 ZINC000423543684 330211189 /nfs/dbraw/zinc/21/11/89/330211189.db2.gz VIFBWWDPILQNIX-HNNXBMFYSA-N 1 3 260.381 3.186 20 30 CGEDHO C=CCC[C@H]([NH2+]CC(C)(C)CN1CCCC1)C1CC1 ZINC000477946080 331695293 /nfs/dbraw/zinc/69/52/93/331695293.db2.gz PRDLICSCLANCPL-INIZCTEOSA-N 1 3 264.457 3.443 20 30 CGEDHO C=CCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000381860823 336074679 /nfs/dbraw/zinc/07/46/79/336074679.db2.gz IXJLKGGRBKIEHJ-IPMKNSEASA-N 1 3 284.447 3.453 20 30 CGEDHO C=CCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000347931393 527235766 /nfs/dbraw/zinc/23/57/66/527235766.db2.gz LSVPNURILPFCEE-CABCVRRESA-N 1 3 250.430 3.195 20 30 CGEDHO C[C@H]1CCCC[N@@H+]1CCCCNCC#Cc1ccccc1 ZINC000892583612 618867766 /nfs/dbraw/zinc/86/77/66/618867766.db2.gz CLJNSCFMLMTAMJ-SFHVURJKSA-N 1 3 284.447 3.282 20 30 CGEDHO C[C@H]1CCCC[N@H+]1CCCCNCC#Cc1ccccc1 ZINC000892583612 618867768 /nfs/dbraw/zinc/86/77/68/618867768.db2.gz CLJNSCFMLMTAMJ-SFHVURJKSA-N 1 3 284.447 3.282 20 30 CGEDHO C#CCCCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878121748 619421219 /nfs/dbraw/zinc/42/12/19/619421219.db2.gz UAOVZYRAFIECSD-QGZVFWFLSA-N 1 3 262.441 3.130 20 30 CGEDHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(C#N)c(F)c1 ZINC000817948420 632245807 /nfs/dbraw/zinc/24/58/07/632245807.db2.gz JPCIZSKOAVFQEH-CYBMUJFWSA-N 1 3 297.377 3.049 20 30 CGEDHO N#C[C@@H]1CC[C@H](NC[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000866561841 633191909 /nfs/dbraw/zinc/19/19/09/633191909.db2.gz MLQGUMXRMULKGA-HLLBOEOZSA-N 1 3 275.440 3.065 20 30 CGEDHO N#C[C@@H]1CC[C@H](NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000866561841 633191913 /nfs/dbraw/zinc/19/19/13/633191913.db2.gz MLQGUMXRMULKGA-HLLBOEOZSA-N 1 3 275.440 3.065 20 30 CGEDHO CCCCCCCC[C@@H](O)C[NH2+]CCCN1CCCC1 ZINC001252119566 806005769 /nfs/dbraw/zinc/00/57/69/806005769.db2.gz AMOLNSBCMKCKBN-QGZVFWFLSA-N 1 3 284.488 3.173 20 30 CGEDHO CCCCCCCC[C@@H](O)CNCCC[NH+]1CCCC1 ZINC001252119566 806005777 /nfs/dbraw/zinc/00/57/77/806005777.db2.gz AMOLNSBCMKCKBN-QGZVFWFLSA-N 1 3 284.488 3.173 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@H]1CCC[NH2+][C@H]1C ZINC001245984869 804092856 /nfs/dbraw/zinc/09/28/56/804092856.db2.gz RQYWNSDKNCQSAM-BBWFWOEESA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCC[C@@H](O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246034386 804102709 /nfs/dbraw/zinc/10/27/09/804102709.db2.gz XCSKOWLHGFVIAP-MSOLQXFVSA-N 1 3 296.499 3.173 20 30 CGEDHO CCCCCCC[C@H](C)[NH2+][C@@]1(CC(=O)OCC)CCNC1 ZINC001246133760 804159051 /nfs/dbraw/zinc/15/90/51/804159051.db2.gz VPWKMXRUWUDLKX-DOTOQJQBSA-N 1 3 298.471 3.010 20 30 CGEDHO CCCCCCC[C@H](CCC)[NH2+][C@@H]1COCCC12CNC2 ZINC001246138757 804162080 /nfs/dbraw/zinc/16/20/80/804162080.db2.gz OJJWGJNTSYFFPH-DLBZAZTESA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCC[C@H](CCC)N[C@@H]1COCCC12C[NH2+]C2 ZINC001246138757 804162088 /nfs/dbraw/zinc/16/20/88/804162088.db2.gz OJJWGJNTSYFFPH-DLBZAZTESA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCC[C@@H](CCC)[NH2+][C@@H]1COCCC12CNC2 ZINC001246138758 804162261 /nfs/dbraw/zinc/16/22/61/804162261.db2.gz OJJWGJNTSYFFPH-IAGOWNOFSA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCC[C@@H](CCC)N[C@@H]1COCCC12C[NH2+]C2 ZINC001246138758 804162268 /nfs/dbraw/zinc/16/22/68/804162268.db2.gz OJJWGJNTSYFFPH-IAGOWNOFSA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCC[C@H](CC(C)C)[NH2+][C@]1(CCO)CCNC1 ZINC001246294033 804261855 /nfs/dbraw/zinc/26/18/55/804261855.db2.gz LRWIPVAFDGKIEN-MSOLQXFVSA-N 1 3 298.515 3.466 20 30 CGEDHO C=CCC[C@H](C)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246380548 804314152 /nfs/dbraw/zinc/31/41/52/804314152.db2.gz IEEZSFVGLCZVAO-HNNXBMFYSA-N 1 3 290.426 3.435 20 30 CGEDHO C=CCC[C@H](C)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246457416 804340163 /nfs/dbraw/zinc/34/01/63/804340163.db2.gz LHJLZTINLXMEFZ-HNNXBMFYSA-N 1 3 290.426 3.435 20 30 CGEDHO CC[C@@H](CC#N)N1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001246595430 804436677 /nfs/dbraw/zinc/43/66/77/804436677.db2.gz MYWADYDZRBIPQZ-INIZCTEOSA-N 1 3 277.456 3.315 20 30 CGEDHO C=CC[N@H+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246949884 804616510 /nfs/dbraw/zinc/61/65/10/804616510.db2.gz RHSVIZILWSCSLD-QLPKVWCKSA-N 1 3 262.441 3.480 20 30 CGEDHO C=CC[N@@H+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246949884 804616517 /nfs/dbraw/zinc/61/65/17/804616517.db2.gz RHSVIZILWSCSLD-QLPKVWCKSA-N 1 3 262.441 3.480 20 30 CGEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCN1CCC(C)CC1 ZINC001172290255 808216489 /nfs/dbraw/zinc/21/64/89/808216489.db2.gz NTGSANNZZMZFEB-KRWDZBQOSA-N 1 3 299.462 3.201 20 30 CGEDHO C[C@H](CCCC#N)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC001172479155 808343285 /nfs/dbraw/zinc/34/32/85/808343285.db2.gz HAXOLXYZKSDCMI-OWCLPIDISA-N 1 3 265.445 3.026 20 30 CGEDHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H](C)CCCC#N ZINC001172487233 808348167 /nfs/dbraw/zinc/34/81/67/808348167.db2.gz GMNZEXDXKZPSSK-HZPDHXFCSA-N 1 3 273.424 3.166 20 30 CGEDHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H](C)CCCC#N ZINC001172487233 808348174 /nfs/dbraw/zinc/34/81/74/808348174.db2.gz GMNZEXDXKZPSSK-HZPDHXFCSA-N 1 3 273.424 3.166 20 30 CGEDHO C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205651689 813041722 /nfs/dbraw/zinc/04/17/22/813041722.db2.gz IFSCVOVXKSRLFH-GXTWGEPZSA-N 1 3 291.826 3.018 20 30 CGEDHO CCCCCCC/C=C/C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001208117970 813696378 /nfs/dbraw/zinc/69/63/78/813696378.db2.gz ABLKACRKZRXADK-AEHISBCRSA-N 1 3 264.457 3.397 20 30 CGEDHO CCCCCCC/C=C/C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001208117970 813696383 /nfs/dbraw/zinc/69/63/83/813696383.db2.gz ABLKACRKZRXADK-AEHISBCRSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCCCCCCC[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222614912 816479111 /nfs/dbraw/zinc/47/91/11/816479111.db2.gz KSDAYTCWLXIKLH-JKSUJKDBSA-N 1 3 250.430 3.197 20 30 CGEDHO C=CCCCCCCC[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222614912 816479115 /nfs/dbraw/zinc/47/91/15/816479115.db2.gz KSDAYTCWLXIKLH-JKSUJKDBSA-N 1 3 250.430 3.197 20 30 CGEDHO Cc1cc2[nH]ccc2c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)n1 ZINC001240337992 820975004 /nfs/dbraw/zinc/97/50/04/820975004.db2.gz GHBIQPVOMVXTNC-UHFFFAOYSA-N 1 3 288.354 3.097 20 30 CGEDHO CCC#C[C@@H](C)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC001576923805 962497080 /nfs/dbraw/zinc/49/70/80/962497080.db2.gz QRSNUKURRSOVEI-NVXWUHKLSA-N 1 3 298.430 3.105 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(CCC)C2)C1 ZINC000651685691 398269000 /nfs/dbraw/zinc/26/90/00/398269000.db2.gz APSSAFKMTJUTCE-PMPSAXMXSA-N 1 3 250.430 3.053 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000591581354 346930232 /nfs/dbraw/zinc/93/02/32/346930232.db2.gz QXWQADILVXIXJH-RYRKJORJSA-N 1 3 283.419 3.185 20 30 CGEDHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc(C#N)cc1 ZINC000596649679 347497763 /nfs/dbraw/zinc/49/77/63/347497763.db2.gz FBGLWSHHYPRNLB-MAUKXSAKSA-N 1 3 285.435 3.001 20 30 CGEDHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(C#N)cc1 ZINC000602018433 347933554 /nfs/dbraw/zinc/93/35/54/347933554.db2.gz BTEQDHUHZOYCNK-AWEZNQCLSA-N 1 3 291.398 3.055 20 30 CGEDHO C[C@@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1cccc(C#N)c1 ZINC000602020885 347933892 /nfs/dbraw/zinc/93/38/92/347933892.db2.gz ORQJTGSNAZGUCL-DNVCBOLYSA-N 1 3 293.414 3.169 20 30 CGEDHO CC[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000602019678 347934314 /nfs/dbraw/zinc/93/43/14/347934314.db2.gz FEVWKYNBRDSLKR-IRXDYDNUSA-N 1 3 285.435 3.377 20 30 CGEDHO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000602535480 347977360 /nfs/dbraw/zinc/97/73/60/347977360.db2.gz OAMRNIADLJVWLT-PKOBYXMFSA-N 1 3 299.462 3.080 20 30 CGEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc2c1CCNC2 ZINC000635009584 351626994 /nfs/dbraw/zinc/62/69/94/351626994.db2.gz HWSAJJPRJHHPKQ-ZIAGYGMSSA-N 1 3 258.409 3.023 20 30 CGEDHO CC(C)(CCC#N)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564221 370143250 /nfs/dbraw/zinc/14/32/50/370143250.db2.gz XBBQXIIAJGWJOF-INIZCTEOSA-N 1 3 277.456 3.267 20 30 CGEDHO C=C[C@@H](C)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449184628 373668129 /nfs/dbraw/zinc/66/81/29/373668129.db2.gz FPAVAJUXEGHBAU-CVEARBPZSA-N 1 3 272.436 3.246 20 30 CGEDHO C=CC1CC[NH+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000093359167 541981376 /nfs/dbraw/zinc/98/13/76/541981376.db2.gz PTPLIXJRSMQFJL-UHFFFAOYSA-N 1 3 288.435 3.025 20 30 CGEDHO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000530215055 328716579 /nfs/dbraw/zinc/71/65/79/328716579.db2.gz ZPVHEYJWRAXMKH-BZUAXINKSA-N 1 3 264.457 3.489 20 30 CGEDHO CC#CCCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000482166048 375166920 /nfs/dbraw/zinc/16/69/20/375166920.db2.gz SSQGEHIQHHXYHL-NVXWUHKLSA-N 1 3 262.441 3.033 20 30 CGEDHO CC#CCCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000482166050 375167849 /nfs/dbraw/zinc/16/78/49/375167849.db2.gz SSQGEHIQHHXYHL-RDJZCZTQSA-N 1 3 262.441 3.033 20 30 CGEDHO CC#CCCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000482169142 375168111 /nfs/dbraw/zinc/16/81/11/375168111.db2.gz ZCDHKCFPVSQWAL-DOTOQJQBSA-N 1 3 262.441 3.033 20 30 CGEDHO CC#CCC[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000482169142 375168114 /nfs/dbraw/zinc/16/81/14/375168114.db2.gz ZCDHKCFPVSQWAL-DOTOQJQBSA-N 1 3 262.441 3.033 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000249280028 377484375 /nfs/dbraw/zinc/48/43/75/377484375.db2.gz NDCZQCWVLFROHS-OLMNPRSZSA-N 1 3 283.419 3.035 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000249280028 377484379 /nfs/dbraw/zinc/48/43/79/377484379.db2.gz NDCZQCWVLFROHS-OLMNPRSZSA-N 1 3 283.419 3.035 20 30 CGEDHO CN1CCCC[C@H]1CC[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000343552301 378017377 /nfs/dbraw/zinc/01/73/77/378017377.db2.gz NXLHTWFEWCJOFC-SFHVURJKSA-N 1 3 285.435 3.059 20 30 CGEDHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343552301 378017382 /nfs/dbraw/zinc/01/73/82/378017382.db2.gz NXLHTWFEWCJOFC-SFHVURJKSA-N 1 3 285.435 3.059 20 30 CGEDHO C=C(C)C[NH+]1CCC(N[C@@H]2CCc3c2cccc3F)CC1 ZINC000268928851 378154791 /nfs/dbraw/zinc/15/47/91/378154791.db2.gz ZAEXAASYQQOVCU-GOSISDBHSA-N 1 3 288.410 3.443 20 30 CGEDHO CCCN(C)C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000409446527 380036076 /nfs/dbraw/zinc/03/60/76/380036076.db2.gz XZWPLSCVMKVOSP-MRXNPFEDSA-N 1 3 279.472 3.370 20 30 CGEDHO CCCN(C)C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000409446527 380036080 /nfs/dbraw/zinc/03/60/80/380036080.db2.gz XZWPLSCVMKVOSP-MRXNPFEDSA-N 1 3 279.472 3.370 20 30 CGEDHO C[C@H]([NH2+]CCCN1CCCCC1)c1cccc(C#N)c1 ZINC000037229381 173049291 /nfs/dbraw/zinc/04/92/91/173049291.db2.gz NYFYFPQUBIWQDT-HNNXBMFYSA-N 1 3 271.408 3.085 20 30 CGEDHO CN1CC[C@@]2(CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000292088161 263128178 /nfs/dbraw/zinc/12/81/78/263128178.db2.gz GJGCFMFYCVFBMH-LJQANCHMSA-N 1 3 297.446 3.015 20 30 CGEDHO CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000292088161 263128179 /nfs/dbraw/zinc/12/81/79/263128179.db2.gz GJGCFMFYCVFBMH-LJQANCHMSA-N 1 3 297.446 3.015 20 30 CGEDHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000278566027 328227479 /nfs/dbraw/zinc/22/74/79/328227479.db2.gz IVRQTLWJBBYKFS-QYZOEREBSA-N 1 3 297.446 3.133 20 30 CGEDHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000278566027 328227480 /nfs/dbraw/zinc/22/74/80/328227480.db2.gz IVRQTLWJBBYKFS-QYZOEREBSA-N 1 3 297.446 3.133 20 30 CGEDHO C=C(CC)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347960222 526860219 /nfs/dbraw/zinc/86/02/19/526860219.db2.gz PLZRTCWMUHCZNJ-HUUCEWRRSA-N 1 3 250.430 3.195 20 30 CGEDHO C=C(CC)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347960222 526860222 /nfs/dbraw/zinc/86/02/22/526860222.db2.gz PLZRTCWMUHCZNJ-HUUCEWRRSA-N 1 3 250.430 3.195 20 30 CGEDHO C=C(CC)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000347960222 526860227 /nfs/dbraw/zinc/86/02/27/526860227.db2.gz PLZRTCWMUHCZNJ-HUUCEWRRSA-N 1 3 250.430 3.195 20 30 CGEDHO CCCCCCCCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000830638299 633877322 /nfs/dbraw/zinc/87/73/22/633877322.db2.gz ZPLHLVAWXJJHOL-UHFFFAOYSA-N 1 3 282.472 3.144 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000924750994 638399694 /nfs/dbraw/zinc/39/96/94/638399694.db2.gz HZIGGZHSWDAXIK-LSDHHAIUSA-N 1 3 279.472 3.415 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000924750994 638399700 /nfs/dbraw/zinc/39/97/00/638399700.db2.gz HZIGGZHSWDAXIK-LSDHHAIUSA-N 1 3 279.472 3.415 20 30 CGEDHO CC(C)CCN1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000926679777 638797841 /nfs/dbraw/zinc/79/78/41/638797841.db2.gz FVNSSBLPIDUFHE-UHFFFAOYSA-N 1 3 299.462 3.201 20 30 CGEDHO C=CCCCCCC[C@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC001253248264 806195360 /nfs/dbraw/zinc/19/53/60/806195360.db2.gz SUPBOFHAGPRSLA-SFHVURJKSA-N 1 3 296.499 3.336 20 30 CGEDHO C#C[C@@](C)(CC)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255393806 806633045 /nfs/dbraw/zinc/63/30/45/806633045.db2.gz RKDJKZWTBUNUFK-MOPGFXCFSA-N 1 3 284.447 3.433 20 30 CGEDHO C#C[C@@](C)(CC)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393806 806633046 /nfs/dbraw/zinc/63/30/46/806633046.db2.gz RKDJKZWTBUNUFK-MOPGFXCFSA-N 1 3 284.447 3.433 20 30 CGEDHO CCCCCCCC[C@@H](O)CN[C@H](C[NH3+])CC(C)C ZINC001246016170 804096924 /nfs/dbraw/zinc/09/69/24/804096924.db2.gz SIAYGMUBOFUZFP-JKSUJKDBSA-N 1 3 272.477 3.061 20 30 CGEDHO CCC[NH2+]CCNC1CCC(c2ccc(C#N)cc2)CC1 ZINC001246273318 804249118 /nfs/dbraw/zinc/24/91/18/804249118.db2.gz YMCKCBKPEITVDI-UHFFFAOYSA-N 1 3 285.435 3.174 20 30 CGEDHO CCCCCCCC[C@H](CC)[NH2+][C@]1(CCO)CCNC1 ZINC001246297948 804265541 /nfs/dbraw/zinc/26/55/41/804265541.db2.gz YHZXTPNIANAFQI-IRXDYDNUSA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCCCCCC[C@@H](C)[NH2+][C@H]1CNC[C@@H]1N ZINC001246446221 804333441 /nfs/dbraw/zinc/33/34/41/804333441.db2.gz KXCBBJWMJVHBTQ-IKGGRYGDSA-N 1 3 283.504 3.185 20 30 CGEDHO CCCCCCCC[C@H](CCC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246581112 804425870 /nfs/dbraw/zinc/42/58/70/804425870.db2.gz PLDZYPBBHQEXBQ-YESZJQIVSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCCC[C@H](CCC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246581112 804425874 /nfs/dbraw/zinc/42/58/74/804425874.db2.gz PLDZYPBBHQEXBQ-YESZJQIVSA-N 1 3 284.488 3.157 20 30 CGEDHO C=CCC[C@H](C)N1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001258724284 807572218 /nfs/dbraw/zinc/57/22/18/807572218.db2.gz SPSOOOHMYVTYKY-HNNXBMFYSA-N 1 3 288.435 3.300 20 30 CGEDHO C[C@H](CCCC#N)[N@@H+](Cc1ccccc1)C[C@@H](C)CN ZINC001172487234 808348208 /nfs/dbraw/zinc/34/82/08/808348208.db2.gz GMNZEXDXKZPSSK-JKSUJKDBSA-N 1 3 273.424 3.166 20 30 CGEDHO C[C@H](CCCC#N)[N@H+](Cc1ccccc1)C[C@@H](C)CN ZINC001172487234 808348216 /nfs/dbraw/zinc/34/82/16/808348216.db2.gz GMNZEXDXKZPSSK-JKSUJKDBSA-N 1 3 273.424 3.166 20 30 CGEDHO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)CN(C)C)ccc1C#N ZINC001206801477 813439886 /nfs/dbraw/zinc/43/98/86/813439886.db2.gz WNUHMTUCZDLMOO-VQIMIIECSA-N 1 3 299.462 3.419 20 30 CGEDHO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CN(C)C)ccc1C#N ZINC001206801477 813439890 /nfs/dbraw/zinc/43/98/90/813439890.db2.gz WNUHMTUCZDLMOO-VQIMIIECSA-N 1 3 299.462 3.419 20 30 CGEDHO C=CCCC[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236373557 819442356 /nfs/dbraw/zinc/44/23/56/819442356.db2.gz ZFRASVVUFALDKG-OAHLLOKOSA-N 1 3 250.430 3.197 20 30 CGEDHO C=CCCC[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236373557 819442360 /nfs/dbraw/zinc/44/23/60/819442360.db2.gz ZFRASVVUFALDKG-OAHLLOKOSA-N 1 3 250.430 3.197 20 30 CGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN(CC)CC ZINC001307923773 933020217 /nfs/dbraw/zinc/02/02/17/933020217.db2.gz JOKMTWHMVKLBSJ-CVEARBPZSA-N 1 3 252.446 3.443 20 30 CGEDHO C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC001560460072 938259414 /nfs/dbraw/zinc/25/94/14/938259414.db2.gz SHYQZZRGRXXTPU-HOTGVXAUSA-N 1 3 264.457 3.443 20 30 CGEDHO N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC1CC[NH2+]CC1 ZINC001580036495 962688817 /nfs/dbraw/zinc/68/88/17/962688817.db2.gz XCDOJUOUZHEQRI-RTBURBONSA-N 1 3 297.446 3.148 20 30 CGEDHO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000561983387 346659661 /nfs/dbraw/zinc/65/96/61/346659661.db2.gz UWMAKAHVCLESAX-YJBOKZPZSA-N 1 3 288.435 3.023 20 30 CGEDHO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000561983387 346659663 /nfs/dbraw/zinc/65/96/63/346659663.db2.gz UWMAKAHVCLESAX-YJBOKZPZSA-N 1 3 288.435 3.023 20 30 CGEDHO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000594494821 347177613 /nfs/dbraw/zinc/17/76/13/347177613.db2.gz IFJCUMVBZFADOO-MRXNPFEDSA-N 1 3 297.446 3.062 20 30 CGEDHO CC[N@H+](Cc1ccc(CN(C)C)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000599661343 347762195 /nfs/dbraw/zinc/76/21/95/347762195.db2.gz UNQONDFVYBMOEN-ZWKOTPCHSA-N 1 3 285.435 3.262 20 30 CGEDHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000599661343 347762197 /nfs/dbraw/zinc/76/21/97/347762197.db2.gz UNQONDFVYBMOEN-ZWKOTPCHSA-N 1 3 285.435 3.262 20 30 CGEDHO C[C@@H]1CC[C@@H](NC2CCC(C#N)(c3ccccc3)CC2)C[NH2+]1 ZINC000600711121 347829290 /nfs/dbraw/zinc/82/92/90/347829290.db2.gz RCWJIWFORNYZBU-ZTRSQXPZSA-N 1 3 297.446 3.121 20 30 CGEDHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602514112 347973476 /nfs/dbraw/zinc/97/34/76/347973476.db2.gz MAGXOXGOMBAORW-RYTJFDOTSA-N 1 3 277.456 3.026 20 30 CGEDHO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc2c1CCNC2 ZINC000635009581 351627540 /nfs/dbraw/zinc/62/75/40/351627540.db2.gz HWSAJJPRJHHPKQ-KBPBESRZSA-N 1 3 258.409 3.023 20 30 CGEDHO C=CCC[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000471836041 375008293 /nfs/dbraw/zinc/00/82/93/375008293.db2.gz HPDJDFKFBAOEFD-MSOLQXFVSA-N 1 3 272.436 3.235 20 30 CGEDHO C=CCC[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000471836041 375008298 /nfs/dbraw/zinc/00/82/98/375008298.db2.gz HPDJDFKFBAOEFD-MSOLQXFVSA-N 1 3 272.436 3.235 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000187714667 375078690 /nfs/dbraw/zinc/07/86/90/375078690.db2.gz NDCZQCWVLFROHS-BMGDILEWSA-N 1 3 283.419 3.035 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000187714667 375078698 /nfs/dbraw/zinc/07/86/98/375078698.db2.gz NDCZQCWVLFROHS-BMGDILEWSA-N 1 3 283.419 3.035 20 30 CGEDHO C=CCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000193401784 375873198 /nfs/dbraw/zinc/87/31/98/375873198.db2.gz UYJGUTDFBUGBOZ-CVEARBPZSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000193401784 375873202 /nfs/dbraw/zinc/87/32/02/375873202.db2.gz UYJGUTDFBUGBOZ-CVEARBPZSA-N 1 3 250.430 3.149 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000249280027 377485260 /nfs/dbraw/zinc/48/52/60/377485260.db2.gz NDCZQCWVLFROHS-JLSDUUJJSA-N 1 3 283.419 3.035 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000249280027 377485265 /nfs/dbraw/zinc/48/52/65/377485265.db2.gz NDCZQCWVLFROHS-JLSDUUJJSA-N 1 3 283.419 3.035 20 30 CGEDHO C=CCOc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000350144295 379517386 /nfs/dbraw/zinc/51/73/86/379517386.db2.gz CUMHUGDRMTZGGY-UHFFFAOYSA-N 1 3 288.435 3.025 20 30 CGEDHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCCCC#N)CC1 ZINC000363538566 382232687 /nfs/dbraw/zinc/23/26/87/382232687.db2.gz VXWTWBHGUOCRDU-WBVHZDCISA-N 1 3 277.456 3.313 20 30 CGEDHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCCC#N)CC1 ZINC000363538566 382232690 /nfs/dbraw/zinc/23/26/90/382232690.db2.gz VXWTWBHGUOCRDU-WBVHZDCISA-N 1 3 277.456 3.313 20 30 CGEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181717357 392735493 /nfs/dbraw/zinc/73/54/93/392735493.db2.gz PSSUDMGMFALGCB-HNNXBMFYSA-N 1 3 283.419 3.249 20 30 CGEDHO C=CCCCCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000519718347 392887505 /nfs/dbraw/zinc/88/75/05/392887505.db2.gz ZCJYEWPRAGMVTR-ZDUSSCGKSA-N 1 3 261.413 3.246 20 30 CGEDHO C=CCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426824365 393452285 /nfs/dbraw/zinc/45/22/85/393452285.db2.gz HSIZMDLASMKTMD-CALCHBBNSA-N 1 3 294.483 3.164 20 30 CGEDHO C=CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000662299874 419388486 /nfs/dbraw/zinc/38/84/86/419388486.db2.gz YUFSHAAFSAEQFZ-OAHLLOKOSA-N 1 3 270.420 3.120 20 30 CGEDHO C=CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CNCC3)C1 ZINC000662299874 419388492 /nfs/dbraw/zinc/38/84/92/419388492.db2.gz YUFSHAAFSAEQFZ-OAHLLOKOSA-N 1 3 270.420 3.120 20 30 CGEDHO CC#CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390863270 262355940 /nfs/dbraw/zinc/35/59/40/262355940.db2.gz OBFSLSBTESFLOV-YQQQUEKLSA-N 1 3 282.431 3.185 20 30 CGEDHO CC#CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390863270 262355942 /nfs/dbraw/zinc/35/59/42/262355942.db2.gz OBFSLSBTESFLOV-YQQQUEKLSA-N 1 3 282.431 3.185 20 30 CGEDHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000278566023 328227456 /nfs/dbraw/zinc/22/74/56/328227456.db2.gz IVRQTLWJBBYKFS-GBESFXJTSA-N 1 3 297.446 3.133 20 30 CGEDHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000278566023 328227457 /nfs/dbraw/zinc/22/74/57/328227457.db2.gz IVRQTLWJBBYKFS-GBESFXJTSA-N 1 3 297.446 3.133 20 30 CGEDHO C=CCCC[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000398086882 326871142 /nfs/dbraw/zinc/87/11/42/326871142.db2.gz VMYFWMSLXHTVSV-HNNXBMFYSA-N 1 3 273.424 3.385 20 30 CGEDHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCCC#N)CC2)C1 ZINC000178644938 329201646 /nfs/dbraw/zinc/20/16/46/329201646.db2.gz CVJGKCBIQOHLGU-NVXWUHKLSA-N 1 3 277.456 3.313 20 30 CGEDHO C=CCOc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000423109901 330170717 /nfs/dbraw/zinc/17/07/17/330170717.db2.gz TZHHPJUNKVBUBG-IAGOWNOFSA-N 1 3 274.408 3.001 20 30 CGEDHO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453305397 331113803 /nfs/dbraw/zinc/11/38/03/331113803.db2.gz HXADCCCKZSCAGE-HNNXBMFYSA-N 1 3 290.451 3.490 20 30 CGEDHO C=C(CC)C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309908953 333051269 /nfs/dbraw/zinc/05/12/69/333051269.db2.gz LHULBURVTBFOFS-SJLPKXTDSA-N 1 3 272.436 3.453 20 30 CGEDHO C=C(CC)CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309908953 333051270 /nfs/dbraw/zinc/05/12/70/333051270.db2.gz LHULBURVTBFOFS-SJLPKXTDSA-N 1 3 272.436 3.453 20 30 CGEDHO C=C(CC)CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309908953 333051271 /nfs/dbraw/zinc/05/12/71/333051271.db2.gz LHULBURVTBFOFS-SJLPKXTDSA-N 1 3 272.436 3.453 20 30 CGEDHO CN(C)Cc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000174247361 335151300 /nfs/dbraw/zinc/15/13/00/335151300.db2.gz OMWGYHSHVQFCNJ-UHFFFAOYSA-N 1 3 273.424 3.168 20 30 CGEDHO C=CCOc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1Cl ZINC000581070940 336003804 /nfs/dbraw/zinc/00/38/04/336003804.db2.gz BNVIAZKPNZHXPA-NWDGAFQWSA-N 1 3 282.815 3.120 20 30 CGEDHO C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000347931396 527233657 /nfs/dbraw/zinc/23/36/57/527233657.db2.gz LSVPNURILPFCEE-LSDHHAIUSA-N 1 3 250.430 3.195 20 30 CGEDHO C#CCCCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878121747 619421056 /nfs/dbraw/zinc/42/10/56/619421056.db2.gz UAOVZYRAFIECSD-KRWDZBQOSA-N 1 3 262.441 3.130 20 30 CGEDHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(C#N)c(F)c1 ZINC000817948421 632245550 /nfs/dbraw/zinc/24/55/50/632245550.db2.gz JPCIZSKOAVFQEH-ZDUSSCGKSA-N 1 3 297.377 3.049 20 30 CGEDHO C#CCCCCCCN1CC[C@H](C[NH+](CC)CC)C1 ZINC000876771807 634896375 /nfs/dbraw/zinc/89/63/75/634896375.db2.gz ZHOPZTWTPHAWSV-QGZVFWFLSA-N 1 3 264.457 3.234 20 30 CGEDHO C#CCCCCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000876948464 634935422 /nfs/dbraw/zinc/93/54/22/634935422.db2.gz MFWASSOTNUTAHI-UHFFFAOYSA-N 1 3 264.457 3.423 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCCC[NH+]1CCC(C)CC1 ZINC000924577603 638366186 /nfs/dbraw/zinc/36/61/86/638366186.db2.gz KGBPXAAEYRFQHR-OAHLLOKOSA-N 1 3 265.445 3.026 20 30 CGEDHO C[C@H](CC(C)(C)C#N)[NH2+]CCCN1CCC(C)CC1 ZINC000924577603 638366189 /nfs/dbraw/zinc/36/61/89/638366189.db2.gz KGBPXAAEYRFQHR-OAHLLOKOSA-N 1 3 265.445 3.026 20 30 CGEDHO CC(C)CCN1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000926355421 638765534 /nfs/dbraw/zinc/76/55/34/638765534.db2.gz GVMYYKKPWQFMCP-UHFFFAOYSA-N 1 3 291.483 3.416 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001245977073 804092363 /nfs/dbraw/zinc/09/23/63/804092363.db2.gz VFUBCAFATRHDCD-IKGGRYGDSA-N 1 3 284.488 3.076 20 30 CGEDHO C=CCCCCCC[C@@H](O)C[N@H+]1CCCC[C@](C)(CN)C1 ZINC001246026097 804100516 /nfs/dbraw/zinc/10/05/16/804100516.db2.gz ZHYSXSXTEFCQCG-QZTJIDSGSA-N 1 3 296.499 3.325 20 30 CGEDHO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001246026097 804100519 /nfs/dbraw/zinc/10/05/19/804100519.db2.gz ZHYSXSXTEFCQCG-QZTJIDSGSA-N 1 3 296.499 3.325 20 30 CGEDHO CCCCCCCC[C@@H](CCC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246581111 804425983 /nfs/dbraw/zinc/42/59/83/804425983.db2.gz PLDZYPBBHQEXBQ-GVDBMIGSSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCCC[C@@H](CCC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246581111 804425988 /nfs/dbraw/zinc/42/59/88/804425988.db2.gz PLDZYPBBHQEXBQ-GVDBMIGSSA-N 1 3 284.488 3.157 20 30 CGEDHO CCC(CC)N1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC001256960414 807017966 /nfs/dbraw/zinc/01/79/66/807017966.db2.gz XZXLYZMLJGUAPP-UHFFFAOYSA-N 1 3 277.456 3.311 20 30 CGEDHO CC1(C)C[C@H]([NH+]2CCC(C#Cc3ccccc3)CC2)CCN1 ZINC001246919568 804601107 /nfs/dbraw/zinc/60/11/07/804601107.db2.gz BJWSAIWOQASRBG-LJQANCHMSA-N 1 3 296.458 3.281 20 30 CGEDHO CC1(C)C[C@H](N2CCC(C#Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246919568 804601110 /nfs/dbraw/zinc/60/11/10/804601110.db2.gz BJWSAIWOQASRBG-LJQANCHMSA-N 1 3 296.458 3.281 20 30 CGEDHO C=CCC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](C)CN ZINC001258721365 807569714 /nfs/dbraw/zinc/56/97/14/807569714.db2.gz TZKNARRKLATWIZ-HZPDHXFCSA-N 1 3 260.425 3.438 20 30 CGEDHO C=CCC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H](C)CN ZINC001258721365 807569707 /nfs/dbraw/zinc/56/97/07/807569707.db2.gz TZKNARRKLATWIZ-HZPDHXFCSA-N 1 3 260.425 3.438 20 30 CGEDHO C=CCC[C@H](C)N1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001258722410 807570847 /nfs/dbraw/zinc/57/08/47/807570847.db2.gz IDRTVLDOTSCOTH-AWEZNQCLSA-N 1 3 276.399 3.430 20 30 CGEDHO C=CCCCCCCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC001205296430 812938070 /nfs/dbraw/zinc/93/80/70/812938070.db2.gz PETIEAWBYLODMP-HZPDHXFCSA-N 1 3 252.446 3.430 20 30 CGEDHO C=CCCCCCCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC001205296430 812938074 /nfs/dbraw/zinc/93/80/74/812938074.db2.gz PETIEAWBYLODMP-HZPDHXFCSA-N 1 3 252.446 3.430 20 30 CGEDHO C=CCCC[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001236287414 819414211 /nfs/dbraw/zinc/41/42/11/819414211.db2.gz TYGHZWWQHYYATC-UHFFFAOYSA-N 1 3 258.409 3.207 20 30 CGEDHO C=CCCC[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001236287414 819414217 /nfs/dbraw/zinc/41/42/17/819414217.db2.gz TYGHZWWQHYYATC-UHFFFAOYSA-N 1 3 258.409 3.207 20 30 CGEDHO CCCCCCCC[N@H+](CCOCC)C1CCNCC1 ZINC001236460244 819486761 /nfs/dbraw/zinc/48/67/61/819486761.db2.gz OOEROPDVFGDMRM-UHFFFAOYSA-N 1 3 284.488 3.437 20 30 CGEDHO CCCCCCCC[N@@H+](CCOCC)C1CCNCC1 ZINC001236460244 819486764 /nfs/dbraw/zinc/48/67/64/819486764.db2.gz OOEROPDVFGDMRM-UHFFFAOYSA-N 1 3 284.488 3.437 20 30 CGEDHO CCCCCCCCN(CCOCC)C1CC[NH2+]CC1 ZINC001236460244 819486767 /nfs/dbraw/zinc/48/67/67/819486767.db2.gz OOEROPDVFGDMRM-UHFFFAOYSA-N 1 3 284.488 3.437 20 30 CGEDHO C[C@@H]1CCCN(Cc2ccc(F)cc2C#N)[C@@H]1CCC[NH3+] ZINC001579422753 962630953 /nfs/dbraw/zinc/63/09/53/962630953.db2.gz BOCGNYOXWPWNOA-CXAGYDPISA-N 1 3 289.398 3.037 20 30 CGEDHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000593322036 347063100 /nfs/dbraw/zinc/06/31/00/347063100.db2.gz KWYVKOVHIVLXNF-IBGZPJMESA-N 1 3 291.398 3.055 20 30 CGEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000091512159 345817879 /nfs/dbraw/zinc/81/78/79/345817879.db2.gz FNZSNIVYFFZZJT-JKSUJKDBSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCCC[C@H](C)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000091512159 345817883 /nfs/dbraw/zinc/81/78/83/345817883.db2.gz FNZSNIVYFFZZJT-JKSUJKDBSA-N 1 3 250.430 3.149 20 30 CGEDHO C=CCCSCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000596650630 347498369 /nfs/dbraw/zinc/49/83/69/347498369.db2.gz MDEHKJQKWUQDOH-CABCVRRESA-N 1 3 270.486 3.196 20 30 CGEDHO C[C@H](CCC#N)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000602451647 347960181 /nfs/dbraw/zinc/96/01/81/347960181.db2.gz RBKRFQKDYDDFSD-MSOLQXFVSA-N 1 3 291.483 3.370 20 30 CGEDHO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000602451647 347960182 /nfs/dbraw/zinc/96/01/82/347960182.db2.gz RBKRFQKDYDDFSD-MSOLQXFVSA-N 1 3 291.483 3.370 20 30 CGEDHO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000602451647 347960183 /nfs/dbraw/zinc/96/01/83/347960183.db2.gz RBKRFQKDYDDFSD-MSOLQXFVSA-N 1 3 291.483 3.370 20 30 CGEDHO C=CC(C)(C)CC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000629510871 350699198 /nfs/dbraw/zinc/69/91/98/350699198.db2.gz WAIWCSVEFLQYDT-GFCCVEGCSA-N 1 3 261.413 3.102 20 30 CGEDHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(C#N)cc1 ZINC000154321395 188135647 /nfs/dbraw/zinc/13/56/47/188135647.db2.gz KMLKBHNQXLBWHP-CQSZACIVSA-N 1 3 283.419 3.083 20 30 CGEDHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1cccc(C#N)c1 ZINC000423093925 371958000 /nfs/dbraw/zinc/95/80/00/371958000.db2.gz APWHBUVKEFCWDJ-MAUKXSAKSA-N 1 3 285.435 3.001 20 30 CGEDHO CC1CCN(CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353428613 220078468 /nfs/dbraw/zinc/07/84/68/220078468.db2.gz SAPWPFSXACFFNS-LJQANCHMSA-N 1 3 297.446 3.257 20 30 CGEDHO C=CCC[C@H](CC)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477927826 375145945 /nfs/dbraw/zinc/14/59/45/375145945.db2.gz BRXCFZBAMYJTOA-HNNXBMFYSA-N 1 3 252.446 3.443 20 30 CGEDHO N#C[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000335835231 375468449 /nfs/dbraw/zinc/46/84/49/375468449.db2.gz OIAJSARXQKLQQZ-GDBMZVCRSA-N 1 3 275.440 3.065 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000519595531 375848411 /nfs/dbraw/zinc/84/84/11/375848411.db2.gz JPLXFXGNSJOMGD-QRQLOZEOSA-N 1 3 297.446 3.433 20 30 CGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000519595531 375848415 /nfs/dbraw/zinc/84/84/15/375848415.db2.gz JPLXFXGNSJOMGD-QRQLOZEOSA-N 1 3 297.446 3.433 20 30 CGEDHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000245949341 376942594 /nfs/dbraw/zinc/94/25/94/376942594.db2.gz WEEFCDIVKYVRKZ-NVXWUHKLSA-N 1 3 285.435 3.329 20 30 CGEDHO C=CC[C@@H]1[N@@H+](C[C@@H]2CCCNC2)CCCC1(C)C ZINC000261875525 377862735 /nfs/dbraw/zinc/86/27/35/377862735.db2.gz VQIWYFJHGLWPRC-CABCVRRESA-N 1 3 250.430 3.053 20 30 CGEDHO C=CC[C@@H]1[N@H+](C[C@@H]2CCCNC2)CCCC1(C)C ZINC000261875525 377862740 /nfs/dbraw/zinc/86/27/40/377862740.db2.gz VQIWYFJHGLWPRC-CABCVRRESA-N 1 3 250.430 3.053 20 30 CGEDHO C=CCCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000279916760 379551721 /nfs/dbraw/zinc/55/17/21/379551721.db2.gz IAAPAWUREXZOIE-OAHLLOKOSA-N 1 3 276.424 3.244 20 30 CGEDHO C[C@H]1C[C@H](NCC2(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361431161 381743580 /nfs/dbraw/zinc/74/35/80/381743580.db2.gz CJZGXRLCJOHMMM-FUHWJXTLSA-N 1 3 297.446 3.323 20 30 CGEDHO C[C@H]1C[C@H](NCC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361431161 381743587 /nfs/dbraw/zinc/74/35/87/381743587.db2.gz CJZGXRLCJOHMMM-FUHWJXTLSA-N 1 3 297.446 3.323 20 30 CGEDHO C[C@H](N[C@@H]1CC[C@@H](C#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000339078523 392944828 /nfs/dbraw/zinc/94/48/28/392944828.db2.gz DAJBXPMWTXSQOB-JCHJZTRSSA-N 1 3 297.446 3.179 20 30 CGEDHO C[C@H](N[C@@H]1CC[C@@H](C#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000339078523 392944831 /nfs/dbraw/zinc/94/48/31/392944831.db2.gz DAJBXPMWTXSQOB-JCHJZTRSSA-N 1 3 297.446 3.179 20 30 CGEDHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCN1 ZINC000423393542 393665309 /nfs/dbraw/zinc/66/53/09/393665309.db2.gz YSHMJTJHBWBREA-QBIMZIAESA-N 1 3 283.419 3.056 20 30 CGEDHO C=CCCC1(C[NH2+][C@@H]2CCC[C@H]2CN)CCCC1 ZINC000665236475 419087407 /nfs/dbraw/zinc/08/74/07/419087407.db2.gz NMEDQMCALICHSO-LSDHHAIUSA-N 1 3 250.430 3.230 20 30 CGEDHO C=CCOCCCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000658210507 419660258 /nfs/dbraw/zinc/66/02/58/419660258.db2.gz SVNYBCZPLMHSAO-SJLPKXTDSA-N 1 3 294.483 3.212 20 30 CGEDHO C=CCOCCC[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000658210507 419660266 /nfs/dbraw/zinc/66/02/66/419660266.db2.gz SVNYBCZPLMHSAO-SJLPKXTDSA-N 1 3 294.483 3.212 20 30 CGEDHO C=CCCOCCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317152 263110274 /nfs/dbraw/zinc/11/02/74/263110274.db2.gz UEXGSNVYWKHDNE-QZTJIDSGSA-N 1 3 288.435 3.004 20 30 CGEDHO C=CCCOCCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317152 263110275 /nfs/dbraw/zinc/11/02/75/263110275.db2.gz UEXGSNVYWKHDNE-QZTJIDSGSA-N 1 3 288.435 3.004 20 30 CGEDHO C#CCCCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000090398515 264399724 /nfs/dbraw/zinc/39/97/24/264399724.db2.gz UEMLQNFHYLUXBO-INIZCTEOSA-N 1 3 288.435 3.081 20 30 CGEDHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(C#N)cc1 ZINC000245833238 290008895 /nfs/dbraw/zinc/00/88/95/290008895.db2.gz CCDWPUCWVOBBSS-IAOVAPTHSA-N 1 3 271.408 3.082 20 30 CGEDHO N#C[C@H]1CCC[C@@H](NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000185876202 329334077 /nfs/dbraw/zinc/33/40/77/329334077.db2.gz HSRSIGTZZUTICJ-FUHWJXTLSA-N 1 3 289.467 3.313 20 30 CGEDHO N#C[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000185876202 329334078 /nfs/dbraw/zinc/33/40/78/329334078.db2.gz HSRSIGTZZUTICJ-FUHWJXTLSA-N 1 3 289.467 3.313 20 30 CGEDHO C=C(CC)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453381837 331125897 /nfs/dbraw/zinc/12/58/97/331125897.db2.gz XUPSTYRGXYGPPS-HNNXBMFYSA-N 1 3 276.424 3.244 20 30 CGEDHO C=CCC[C@H](NCC1CC[NH+](C)CC1)c1ccco1 ZINC000356063555 527484506 /nfs/dbraw/zinc/48/45/06/527484506.db2.gz FSNUEXAKGVQHRH-HNNXBMFYSA-N 1 3 262.397 3.218 20 30 CGEDHO C[C@H](NCc1cccc(C#N)c1)c1cccc(C[NH+](C)C)c1 ZINC000924639261 620553208 /nfs/dbraw/zinc/55/32/08/620553208.db2.gz LKCGUKGJQLETPV-HNNXBMFYSA-N 1 3 293.414 3.471 20 30 CGEDHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000902742162 621421665 /nfs/dbraw/zinc/42/16/65/621421665.db2.gz KZFIZTWRVZQUJA-QAPCUYQASA-N 1 3 283.419 3.083 20 30 CGEDHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000902742162 621421675 /nfs/dbraw/zinc/42/16/75/621421675.db2.gz KZFIZTWRVZQUJA-QAPCUYQASA-N 1 3 283.419 3.083 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)[C@]1(C)CCCCO1 ZINC000902753655 621425141 /nfs/dbraw/zinc/42/51/41/621425141.db2.gz RPNUASOPEHLLLV-BZSNNMDCSA-N 1 3 294.483 3.212 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000921818567 625888805 /nfs/dbraw/zinc/88/88/05/625888805.db2.gz QCUOCPVLMSJKMB-IRXDYDNUSA-N 1 3 285.435 3.138 20 30 CGEDHO C#C[C@@H](C)N(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000839583772 626763054 /nfs/dbraw/zinc/76/30/54/626763054.db2.gz NNUOMYIKQXAVQD-MRXNPFEDSA-N 1 3 270.420 3.126 20 30 CGEDHO C#C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000809685511 626767261 /nfs/dbraw/zinc/76/72/61/626767261.db2.gz XMDFREPYEDCAGA-UHOSZYNNSA-N 1 3 284.447 3.287 20 30 CGEDHO C#C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000809685511 626767263 /nfs/dbraw/zinc/76/72/63/626767263.db2.gz XMDFREPYEDCAGA-UHOSZYNNSA-N 1 3 284.447 3.287 20 30 CGEDHO C#Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000809594902 630755923 /nfs/dbraw/zinc/75/59/23/630755923.db2.gz CMGBSQRARJHJGZ-QUCCMNQESA-N 1 3 294.442 3.117 20 30 CGEDHO C#Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000809594902 630755926 /nfs/dbraw/zinc/75/59/26/630755926.db2.gz CMGBSQRARJHJGZ-QUCCMNQESA-N 1 3 294.442 3.117 20 30 CGEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000817964690 632260356 /nfs/dbraw/zinc/26/03/56/632260356.db2.gz FFUDZXPEGKKNJU-BLLLJJGKSA-N 1 3 294.826 3.206 20 30 CGEDHO N#Cc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1F ZINC000925693702 638571217 /nfs/dbraw/zinc/57/12/17/638571217.db2.gz QQZRKXUNWHMGHB-SFHVURJKSA-N 1 3 297.377 3.267 20 30 CGEDHO C#CCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248403277 640755836 /nfs/dbraw/zinc/75/58/36/640755836.db2.gz OIRASKUVTRMHJL-XUVXKRRUSA-N 1 3 296.458 3.290 20 30 CGEDHO CCCCCCCC[C@@H](O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001252130695 806018827 /nfs/dbraw/zinc/01/88/27/806018827.db2.gz WTCBMKHFLLWUSF-MSOLQXFVSA-N 1 3 296.499 3.126 20 30 CGEDHO CCCCCCCC[C@@H](O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001252130695 806018835 /nfs/dbraw/zinc/01/88/35/806018835.db2.gz WTCBMKHFLLWUSF-MSOLQXFVSA-N 1 3 296.499 3.126 20 30 CGEDHO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001253256183 806198306 /nfs/dbraw/zinc/19/83/06/806198306.db2.gz RZJLESLXGJZVHL-SQNIBIBYSA-N 1 3 296.499 3.336 20 30 CGEDHO CN1CCC[C@H]([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001254516497 806435907 /nfs/dbraw/zinc/43/59/07/806435907.db2.gz NEMNXGKWUOWWLC-SFHVURJKSA-N 1 3 297.446 3.028 20 30 CGEDHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC001254672055 806481911 /nfs/dbraw/zinc/48/19/11/806481911.db2.gz WWXJTBGBHSWAOV-QZWWFDLISA-N 1 3 275.440 3.017 20 30 CGEDHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC001254672055 806481915 /nfs/dbraw/zinc/48/19/15/806481915.db2.gz WWXJTBGBHSWAOV-QZWWFDLISA-N 1 3 275.440 3.017 20 30 CGEDHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@H]1CC[C@@H](C#N)C1 ZINC001254672055 806481919 /nfs/dbraw/zinc/48/19/19/806481919.db2.gz WWXJTBGBHSWAOV-QZWWFDLISA-N 1 3 275.440 3.017 20 30 CGEDHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@H]1CC[C@@H](C#N)C1 ZINC001254672055 806481924 /nfs/dbraw/zinc/48/19/24/806481924.db2.gz WWXJTBGBHSWAOV-QZWWFDLISA-N 1 3 275.440 3.017 20 30 CGEDHO CCCCCCCC[C@H](O)C[N@@H+]1CCCC12CCNCC2 ZINC001246032878 804102019 /nfs/dbraw/zinc/10/20/19/804102019.db2.gz MBPGEGDJWZLZIC-KRWDZBQOSA-N 1 3 296.499 3.316 20 30 CGEDHO CCCCCCCC[C@H](O)C[N@H+]1CCCC12CCNCC2 ZINC001246032878 804102020 /nfs/dbraw/zinc/10/20/20/804102020.db2.gz MBPGEGDJWZLZIC-KRWDZBQOSA-N 1 3 296.499 3.316 20 30 CGEDHO CCCCCCCC[C@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1N ZINC001246059877 804103923 /nfs/dbraw/zinc/10/39/23/804103923.db2.gz CBNLYXVKYNJHHY-BBWFWOEESA-N 1 3 284.488 3.300 20 30 CGEDHO CCCCCCCC[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@H]1N ZINC001246059877 804103928 /nfs/dbraw/zinc/10/39/28/804103928.db2.gz CBNLYXVKYNJHHY-BBWFWOEESA-N 1 3 284.488 3.300 20 30 CGEDHO CCCCCCC[C@@H](C)[NH2+][C@@]1(CC(=O)OCC)CCNC1 ZINC001246133761 804159469 /nfs/dbraw/zinc/15/94/69/804159469.db2.gz VPWKMXRUWUDLKX-NVXWUHKLSA-N 1 3 298.471 3.010 20 30 CGEDHO CCCCCCC[C@H](CCC)[NH2+][C@H]1CC12CNC2 ZINC001246443927 804333737 /nfs/dbraw/zinc/33/37/37/804333737.db2.gz IOXDPLOXAXYLNK-GJZGRUSLSA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCC[C@@H](C)[NH2+][C@H]1CCNCC12CC2 ZINC001246475693 804352648 /nfs/dbraw/zinc/35/26/48/804352648.db2.gz VFGJGKPGUKPLLQ-CABCVRRESA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCCCCC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580321 804426631 /nfs/dbraw/zinc/42/66/31/804426631.db2.gz MWPSTGXPMPGUJN-IKGGRYGDSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCCCCC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580321 804426634 /nfs/dbraw/zinc/42/66/34/804426634.db2.gz MWPSTGXPMPGUJN-IKGGRYGDSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCC[C@H](C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629282 804460799 /nfs/dbraw/zinc/46/07/99/804460799.db2.gz YMVKZTVJBKAEDX-HRCADAONSA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@H](C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629282 804460802 /nfs/dbraw/zinc/46/08/02/804460802.db2.gz YMVKZTVJBKAEDX-HRCADAONSA-N 1 3 252.446 3.419 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@@]4(C3)CNCC[C@H]4F)C[C@H](C1)C2 ZINC001246697160 804499424 /nfs/dbraw/zinc/49/94/24/804499424.db2.gz WEPQFDNNGFWIHR-CIQAELJKSA-N 1 3 292.442 3.145 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@@]4(C3)CNCC[C@H]4F)C[C@H](C1)C2 ZINC001246697160 804499428 /nfs/dbraw/zinc/49/94/28/804499428.db2.gz WEPQFDNNGFWIHR-CIQAELJKSA-N 1 3 292.442 3.145 20 30 CGEDHO CCC(CC)[N@@H+]1CC[C@H](N[C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172300517 808220812 /nfs/dbraw/zinc/22/08/12/808220812.db2.gz WLDWFWXYRIULMT-YJBOKZPZSA-N 1 3 299.462 3.342 20 30 CGEDHO CCC(CC)[N@H+]1CC[C@H](N[C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172300517 808220815 /nfs/dbraw/zinc/22/08/15/808220815.db2.gz WLDWFWXYRIULMT-YJBOKZPZSA-N 1 3 299.462 3.342 20 30 CGEDHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H](C)CCCC#N ZINC001172487231 808348276 /nfs/dbraw/zinc/34/82/76/808348276.db2.gz GMNZEXDXKZPSSK-CVEARBPZSA-N 1 3 273.424 3.166 20 30 CGEDHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H](C)CCCC#N ZINC001172487231 808348284 /nfs/dbraw/zinc/34/82/84/808348284.db2.gz GMNZEXDXKZPSSK-CVEARBPZSA-N 1 3 273.424 3.166 20 30 CGEDHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173325298 808612820 /nfs/dbraw/zinc/61/28/20/808612820.db2.gz GYRBDONBLXMVRW-MRLCAUJQSA-N 1 3 291.483 3.416 20 30 CGEDHO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC001277234367 809065372 /nfs/dbraw/zinc/06/53/72/809065372.db2.gz YXMMLVBPZLCIOI-IBGZPJMESA-N 1 3 297.446 3.038 20 30 CGEDHO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC001277234367 809065380 /nfs/dbraw/zinc/06/53/80/809065380.db2.gz YXMMLVBPZLCIOI-IBGZPJMESA-N 1 3 297.446 3.038 20 30 CGEDHO C[C@@]1(C[NH3+])CCCN(Cc2cc(C#N)ccc2Cl)CC1 ZINC001206312053 813285907 /nfs/dbraw/zinc/28/59/07/813285907.db2.gz YQDDJRXNTCNNEU-MRXNPFEDSA-N 1 3 291.826 3.163 20 30 CGEDHO C[C@@]1(C[NH3+])CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001206325277 813289430 /nfs/dbraw/zinc/28/94/30/813289430.db2.gz HAOUDEOMRGJHBE-MRXNPFEDSA-N 1 3 291.826 3.163 20 30 CGEDHO CCCCCCCC[N@H+](C)Cc1ccc2n1CCNC2 ZINC001235664754 819131617 /nfs/dbraw/zinc/13/16/17/819131617.db2.gz VPADMFOVJIBSTQ-UHFFFAOYSA-N 1 3 277.456 3.384 20 30 CGEDHO CCCCCCCC[N@@H+](C)Cc1ccc2n1CCNC2 ZINC001235664754 819131622 /nfs/dbraw/zinc/13/16/22/819131622.db2.gz VPADMFOVJIBSTQ-UHFFFAOYSA-N 1 3 277.456 3.384 20 30 CGEDHO C=CCC[N@H+](Cc1ccc2n1CCNC2)Cc1ccccc1 ZINC001235702396 819147382 /nfs/dbraw/zinc/14/73/82/819147382.db2.gz JQJUEGCEOAQBCX-UHFFFAOYSA-N 1 3 295.430 3.170 20 30 CGEDHO C=CCC[N@@H+](Cc1ccc2n1CCNC2)Cc1ccccc1 ZINC001235702396 819147387 /nfs/dbraw/zinc/14/73/87/819147387.db2.gz JQJUEGCEOAQBCX-UHFFFAOYSA-N 1 3 295.430 3.170 20 30 CGEDHO CC[C@H](NC[C@@H]1CCC[N@H+](CC)C1)c1cccc(C#N)c1 ZINC001350636927 936996921 /nfs/dbraw/zinc/99/69/21/936996921.db2.gz UYGTWQGONUMDAQ-WMZOPIPTSA-N 1 3 285.435 3.331 20 30 CGEDHO CC[C@H](NC[C@@H]1CCC[N@@H+](CC)C1)c1cccc(C#N)c1 ZINC001350636927 936996923 /nfs/dbraw/zinc/99/69/23/936996923.db2.gz UYGTWQGONUMDAQ-WMZOPIPTSA-N 1 3 285.435 3.331 20 30 CGEDHO C=C(C[NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000623381307 349795386 /nfs/dbraw/zinc/79/53/86/349795386.db2.gz NAGWDVWPVUBTDK-MRXNPFEDSA-N 1 3 258.409 3.162 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000591577504 346929985 /nfs/dbraw/zinc/92/99/85/346929985.db2.gz NFMPEWSSVSOGFQ-JQHSSLGASA-N 1 3 283.419 3.043 20 30 CGEDHO C=CCCSCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000596650169 347498481 /nfs/dbraw/zinc/49/84/81/347498481.db2.gz INMLMRDHRWBUTF-BZUAXINKSA-N 1 3 282.497 3.196 20 30 CGEDHO Cc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1C#N ZINC000599350813 347738096 /nfs/dbraw/zinc/73/80/96/347738096.db2.gz AVLUSMDIVGNLDJ-UHFFFAOYSA-N 1 3 299.462 3.421 20 30 CGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123069 349981698 /nfs/dbraw/zinc/98/16/98/349981698.db2.gz FGLHPAUNRMQARZ-ZACQAIPSSA-N 1 3 264.457 3.443 20 30 CGEDHO C=CCCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435699253 372796954 /nfs/dbraw/zinc/79/69/54/372796954.db2.gz ZEILKSMNNNZRNO-OAHLLOKOSA-N 1 3 276.449 3.268 20 30 CGEDHO C[C@H]1C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCN1 ZINC000335539302 375328410 /nfs/dbraw/zinc/32/84/10/375328410.db2.gz SKVQSKIGVKKYNK-WEOZKBJRSA-N 1 3 297.446 3.121 20 30 CGEDHO C=C(C)CCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000509296664 375778058 /nfs/dbraw/zinc/77/80/58/375778058.db2.gz NUCJIQKIELJJQJ-QGZVFWFLSA-N 1 3 264.457 3.397 20 30 CGEDHO C=C(C)CC[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000509296664 375778063 /nfs/dbraw/zinc/77/80/63/375778063.db2.gz NUCJIQKIELJJQJ-QGZVFWFLSA-N 1 3 264.457 3.397 20 30 CGEDHO C=C(C)CC[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000509296664 375778068 /nfs/dbraw/zinc/77/80/68/375778068.db2.gz NUCJIQKIELJJQJ-QGZVFWFLSA-N 1 3 264.457 3.397 20 30 CGEDHO C=CCC[C@@H]([NH2+]C[C@H]1CCN(CCC)C1)C1CC1 ZINC000245905584 376931958 /nfs/dbraw/zinc/93/19/58/376931958.db2.gz BZHIUFZFDYGUPX-GDBMZVCRSA-N 1 3 250.430 3.053 20 30 CGEDHO C[C@@H]1C[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000360659593 393572753 /nfs/dbraw/zinc/57/27/53/393572753.db2.gz ZAHSTNSQRKFZIZ-BJZITVGISA-N 1 3 297.446 3.398 20 30 CGEDHO C[C@@H]1C[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000360659593 393572756 /nfs/dbraw/zinc/57/27/56/393572756.db2.gz ZAHSTNSQRKFZIZ-BJZITVGISA-N 1 3 297.446 3.398 20 30 CGEDHO C[C@H](NCCCC[N@H+](C)C1CC1)c1ccc(C#N)cc1F ZINC000453419377 394240809 /nfs/dbraw/zinc/24/08/09/394240809.db2.gz YYDSALXZYFXRLC-ZDUSSCGKSA-N 1 3 289.398 3.222 20 30 CGEDHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1ccc(C#N)cc1F ZINC000453419377 394240812 /nfs/dbraw/zinc/24/08/12/394240812.db2.gz YYDSALXZYFXRLC-ZDUSSCGKSA-N 1 3 289.398 3.222 20 30 CGEDHO C=CCCC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCCC1 ZINC000665236474 419086958 /nfs/dbraw/zinc/08/69/58/419086958.db2.gz NMEDQMCALICHSO-HUUCEWRRSA-N 1 3 250.430 3.230 20 30 CGEDHO CC[NH+]1CCC(N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000336368414 276152141 /nfs/dbraw/zinc/15/21/41/276152141.db2.gz QOZTXTZGZRWXNP-SFHVURJKSA-N 1 3 283.419 3.010 20 30 CGEDHO C=C(C)[C@H](N[C@@H](C)CCC[NH3+])c1ccc(F)c(F)c1 ZINC000423055115 330167483 /nfs/dbraw/zinc/16/74/83/330167483.db2.gz VVESCYBAHRMGMA-NHYWBVRUSA-N 1 3 268.351 3.299 20 30 CGEDHO CC(C)(CCC#N)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423130358 330171890 /nfs/dbraw/zinc/17/18/90/330171890.db2.gz RYFFVRRZZRPNPT-HUUCEWRRSA-N 1 3 257.381 3.051 20 30 CGEDHO C=CCC1(C[NH2+][C@H]2CCNCC[C@@H]2C)CCCC1 ZINC000423168515 330174284 /nfs/dbraw/zinc/17/42/84/330174284.db2.gz YFLGZFWTPXSCQR-GJZGRUSLSA-N 1 3 250.430 3.101 20 30 CGEDHO C=CCC[C@@H]([NH2+]Cc1ccc2c(c1)CNC2)C1CC1 ZINC000423397554 330195660 /nfs/dbraw/zinc/19/56/60/330195660.db2.gz TWAHFRMVOMHVGW-QGZVFWFLSA-N 1 3 256.393 3.124 20 30 CGEDHO N#CC1(c2ccccc2)CCC([NH2+]CCCNC2CC2)CC1 ZINC000423542433 330211124 /nfs/dbraw/zinc/21/11/24/330211124.db2.gz AZQNTGBDLGVHLW-UHFFFAOYSA-N 1 3 297.446 3.122 20 30 CGEDHO N#CCCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248413229 334300883 /nfs/dbraw/zinc/30/08/83/334300883.db2.gz LBKWXSMZWFVPFN-GUDVDZBRSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCC[C@H](C)[NH+]1CCCCC1 ZINC000926141059 618168422 /nfs/dbraw/zinc/16/84/22/618168422.db2.gz FIYLKCCUGCSTFH-CABCVRRESA-N 1 3 265.445 3.169 20 30 CGEDHO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000926141059 618168436 /nfs/dbraw/zinc/16/84/36/618168436.db2.gz FIYLKCCUGCSTFH-CABCVRRESA-N 1 3 265.445 3.169 20 30 CGEDHO C[C@@H]1CCCC[N@@H+]1CCCCNCC#Cc1ccccc1 ZINC000892583610 618867589 /nfs/dbraw/zinc/86/75/89/618867589.db2.gz CLJNSCFMLMTAMJ-GOSISDBHSA-N 1 3 284.447 3.282 20 30 CGEDHO C[C@@H]1CCCC[N@H+]1CCCCNCC#Cc1ccccc1 ZINC000892583610 618867591 /nfs/dbraw/zinc/86/75/91/618867591.db2.gz CLJNSCFMLMTAMJ-GOSISDBHSA-N 1 3 284.447 3.282 20 30 CGEDHO C=CCOc1ccc(CN2CC[C@@H](CC[NH3+])C2)cc1Cl ZINC000904406431 621918506 /nfs/dbraw/zinc/91/85/06/621918506.db2.gz STCODJBBEFNAEY-CYBMUJFWSA-N 1 3 294.826 3.076 20 30 CGEDHO CN(C)CC[C@H]([NH2+]Cc1csc(C#N)c1)C(C)(C)C ZINC000921749780 625863461 /nfs/dbraw/zinc/86/34/61/625863461.db2.gz QDXZLXOSJWYKHB-AWEZNQCLSA-N 1 3 279.453 3.076 20 30 CGEDHO C[C@H](CN[C@@H](C)CC(C)(C)C#N)C[NH+]1CCCCC1 ZINC000924723077 638394662 /nfs/dbraw/zinc/39/46/62/638394662.db2.gz VWZWHFKATXGPGV-CABCVRRESA-N 1 3 265.445 3.026 20 30 CGEDHO C[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)CN1CCCCC1 ZINC000924723077 638394666 /nfs/dbraw/zinc/39/46/66/638394666.db2.gz VWZWHFKATXGPGV-CABCVRRESA-N 1 3 265.445 3.026 20 30 CGEDHO CC[C@@H](CC#N)NCC1CC[NH+](CC(C)(C)C)CC1 ZINC001255160336 806558622 /nfs/dbraw/zinc/55/86/22/806558622.db2.gz IQAKFWIJLVTBBE-HNNXBMFYSA-N 1 3 265.445 3.026 20 30 CGEDHO CC[C@H](CC#N)NCC1CC[NH+](CC(C)(C)C)CC1 ZINC001255160337 806560054 /nfs/dbraw/zinc/56/00/54/806560054.db2.gz IQAKFWIJLVTBBE-OAHLLOKOSA-N 1 3 265.445 3.026 20 30 CGEDHO C=C[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716716058 800178241 /nfs/dbraw/zinc/17/82/41/800178241.db2.gz ZHCDCGBIPNOUDN-DKIMLUQUSA-N 1 3 270.420 3.204 20 30 CGEDHO C=C[C@H](C)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716716058 800178246 /nfs/dbraw/zinc/17/82/46/800178246.db2.gz ZHCDCGBIPNOUDN-DKIMLUQUSA-N 1 3 270.420 3.204 20 30 CGEDHO C=C[C@H](C)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716716058 800178248 /nfs/dbraw/zinc/17/82/48/800178248.db2.gz ZHCDCGBIPNOUDN-DKIMLUQUSA-N 1 3 270.420 3.204 20 30 CGEDHO CCCCCCCC[C@H](O)CNC[C@H]1CC[C@H](C)[NH2+]C1 ZINC001245977071 804091402 /nfs/dbraw/zinc/09/14/02/804091402.db2.gz VFUBCAFATRHDCD-BBWFWOEESA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[NH2+]CCNC(C)C ZINC001246007661 804098962 /nfs/dbraw/zinc/09/89/62/804098962.db2.gz FHWCYUSAXRODGS-KRWDZBQOSA-N 1 3 286.504 3.466 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN[C@H](CC)C1C[NH2+]C1 ZINC001246020202 804100098 /nfs/dbraw/zinc/10/00/98/804100098.db2.gz MZXICCXUDSRGBY-QZTJIDSGSA-N 1 3 298.515 3.466 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246034462 804102494 /nfs/dbraw/zinc/10/24/94/804102494.db2.gz QTYNAQXWLPUDLC-FJIDUMEYSA-N 1 3 296.499 3.300 20 30 CGEDHO CCCCCCCCC[C@@H](C)N[C@H]1COCCC12C[NH2+]C2 ZINC001246139420 804164103 /nfs/dbraw/zinc/16/41/03/804164103.db2.gz TWMNWISMNMUKDW-SJORKVTESA-N 1 3 296.499 3.484 20 30 CGEDHO CCCCCCCC[C@H](CC)[NH2+][C@@]1(CCO)CCNC1 ZINC001246297946 804264972 /nfs/dbraw/zinc/26/49/72/804264972.db2.gz YHZXTPNIANAFQI-DLBZAZTESA-N 1 3 284.488 3.220 20 30 CGEDHO CCCCCCC[C@H](CC)[N@@H+]1CCC2(CNC2)C1 ZINC001246629724 804460440 /nfs/dbraw/zinc/46/04/40/804460440.db2.gz HLHARNBSPQNVLU-HNNXBMFYSA-N 1 3 252.446 3.421 20 30 CGEDHO CCCCCCC[C@H](CC)[N@H+]1CCC2(CNC2)C1 ZINC001246629724 804460444 /nfs/dbraw/zinc/46/04/44/804460444.db2.gz HLHARNBSPQNVLU-HNNXBMFYSA-N 1 3 252.446 3.421 20 30 CGEDHO C=C(C)C[N@@H+](CC)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246852294 804562414 /nfs/dbraw/zinc/56/24/14/804562414.db2.gz OPNASYBRJDXQTD-QZTJIDSGSA-N 1 3 272.436 3.248 20 30 CGEDHO C=C(C)C[N@H+](CC)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246852294 804562418 /nfs/dbraw/zinc/56/24/18/804562418.db2.gz OPNASYBRJDXQTD-QZTJIDSGSA-N 1 3 272.436 3.248 20 30 CGEDHO CCCCCCC[C@H](CC)N1CC[C@](F)(C[NH3+])C1 ZINC001246947110 804614388 /nfs/dbraw/zinc/61/43/88/804614388.db2.gz VKNJLYLXKGUYFW-GJZGRUSLSA-N 1 3 258.425 3.498 20 30 CGEDHO C=CCC[C@@H](C)N1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001258724136 807572253 /nfs/dbraw/zinc/57/22/53/807572253.db2.gz OBFDECDMZWYYAH-OAHLLOKOSA-N 1 3 288.435 3.300 20 30 CGEDHO C=CC[N@H+]1CCC[C@H]1c1ccc(-n2ccc([C@H](C)N)n2)cc1 ZINC001169237177 807611026 /nfs/dbraw/zinc/61/10/26/807611026.db2.gz LXHQDAKRMUIZRR-KSSFIOAISA-N 1 3 296.418 3.215 20 30 CGEDHO C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2ccc([C@H](C)N)n2)cc1 ZINC001169237177 807611028 /nfs/dbraw/zinc/61/10/28/807611028.db2.gz LXHQDAKRMUIZRR-KSSFIOAISA-N 1 3 296.418 3.215 20 30 CGEDHO C[C@H](CCCC#N)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001172487974 808348377 /nfs/dbraw/zinc/34/83/77/808348377.db2.gz PEEHDQKCTFCOLG-CQSZACIVSA-N 1 3 263.429 3.052 20 30 CGEDHO CCN(CC)CC[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001184418917 810199033 /nfs/dbraw/zinc/19/90/33/810199033.db2.gz UZSNVDGXDZMSLO-FHERZECASA-N 1 3 265.445 3.169 20 30 CGEDHO CCc1cc(C#N)ccc1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320191 816408261 /nfs/dbraw/zinc/40/82/61/816408261.db2.gz CPQSFYQYAXIOHU-LJQANCHMSA-N 1 3 297.446 3.229 20 30 CGEDHO CCc1cc(CN2CCC[C@]23CCC[NH2+]CC3)ccc1C#N ZINC001222320258 816408355 /nfs/dbraw/zinc/40/83/55/816408355.db2.gz FJHVDMSVSBUYNN-IBGZPJMESA-N 1 3 297.446 3.229 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)N1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576301210 962447375 /nfs/dbraw/zinc/44/73/75/962447375.db2.gz NHPSDXIYWOXNSR-OLMNPRSZSA-N 1 3 283.419 3.070 20 30 CGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CN2CCCC2)C1 ZINC000651682362 398268443 /nfs/dbraw/zinc/26/84/43/398268443.db2.gz WUIBUTGAFVAULY-ARFHVFGLSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CCN(CCC1CC[NH2+]CC1)Cc1ccccc1F ZINC000359220854 346544192 /nfs/dbraw/zinc/54/41/92/346544192.db2.gz NVUXVZSBGBQFCW-UHFFFAOYSA-N 1 3 276.399 3.203 20 30 CGEDHO C=CCCSCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000596650631 347498588 /nfs/dbraw/zinc/49/85/88/347498588.db2.gz MDEHKJQKWUQDOH-GJZGRUSLSA-N 1 3 270.486 3.196 20 30 CGEDHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(C#N)c(F)c1 ZINC000599069296 347714176 /nfs/dbraw/zinc/71/41/76/347714176.db2.gz FKFNZXZYXKICKQ-ZIAGYGMSSA-N 1 3 289.398 3.080 20 30 CGEDHO C=CCC[C@@H]([NH2+][C@@H]1CCNCC(C)(C)C1)C1CC1 ZINC000635012902 351630832 /nfs/dbraw/zinc/63/08/32/351630832.db2.gz WQTXZAQJZQNKAL-HUUCEWRRSA-N 1 3 250.430 3.099 20 30 CGEDHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000181699952 189304483 /nfs/dbraw/zinc/30/44/83/189304483.db2.gz WEEFCDIVKYVRKZ-DOTOQJQBSA-N 1 3 285.435 3.329 20 30 CGEDHO CC#CCCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000482169143 375168149 /nfs/dbraw/zinc/16/81/49/375168149.db2.gz ZCDHKCFPVSQWAL-NVXWUHKLSA-N 1 3 262.441 3.033 20 30 CGEDHO CC#CCC[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000482169143 375168156 /nfs/dbraw/zinc/16/81/56/375168156.db2.gz ZCDHKCFPVSQWAL-NVXWUHKLSA-N 1 3 262.441 3.033 20 30 CGEDHO C=C(C)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000509393740 375780246 /nfs/dbraw/zinc/78/02/46/375780246.db2.gz RSSAJCDKEPLQBH-CALCHBBNSA-N 1 3 294.483 3.164 20 30 CGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1(CC#N)CC1 ZINC000376672530 379593295 /nfs/dbraw/zinc/59/32/95/379593295.db2.gz NVCUDPBQVMLAQS-SJLPKXTDSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1(CC#N)CC1 ZINC000376672530 379593299 /nfs/dbraw/zinc/59/32/99/379593299.db2.gz NVCUDPBQVMLAQS-SJLPKXTDSA-N 1 3 297.446 3.180 20 30 CGEDHO C=CCOc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414933465 542640441 /nfs/dbraw/zinc/64/04/41/542640441.db2.gz WXEMVTCFAUSMQQ-UONOGXRCSA-N 1 3 294.826 3.264 20 30 CGEDHO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468926 419621638 /nfs/dbraw/zinc/62/16/38/419621638.db2.gz NJPHWHXWIVSGFZ-UXLLHSPISA-N 1 3 264.457 3.299 20 30 CGEDHO C=C(C)C[NH+]1CCC(NC/C=C/c2ccccc2)CC1 ZINC000106245218 260091927 /nfs/dbraw/zinc/09/19/27/260091927.db2.gz XSQZDEMXWLIALY-RMKNXTFCSA-N 1 3 270.420 3.330 20 30 CGEDHO C=C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000309921172 262053110 /nfs/dbraw/zinc/05/31/10/262053110.db2.gz QXAJFUUTHMZGJI-DZJNRPSUSA-N 1 3 270.420 3.061 20 30 CGEDHO C=C[C@H](C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309921172 262053111 /nfs/dbraw/zinc/05/31/11/262053111.db2.gz QXAJFUUTHMZGJI-DZJNRPSUSA-N 1 3 270.420 3.061 20 30 CGEDHO C=C[C@H](C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309921172 262053113 /nfs/dbraw/zinc/05/31/13/262053113.db2.gz QXAJFUUTHMZGJI-DZJNRPSUSA-N 1 3 270.420 3.061 20 30 CGEDHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(C#N)cc1 ZINC000278631546 288068806 /nfs/dbraw/zinc/06/88/06/288068806.db2.gz GYLHVTVMYAEQLM-SQNIBIBYSA-N 1 3 285.435 3.472 20 30 CGEDHO C=C(C)[C@@H](N[C@@H](C)CCC[NH3+])c1ccc(F)c(F)c1 ZINC000423055116 330167487 /nfs/dbraw/zinc/16/74/87/330167487.db2.gz VVESCYBAHRMGMA-XHDPSFHLSA-N 1 3 268.351 3.299 20 30 CGEDHO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423129337 330171596 /nfs/dbraw/zinc/17/15/96/330171596.db2.gz QZUNZZLXJLYHPV-ARFHVFGLSA-N 1 3 277.456 3.217 20 30 CGEDHO C=CCC1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CCCC1 ZINC000423168517 330174154 /nfs/dbraw/zinc/17/41/54/330174154.db2.gz YFLGZFWTPXSCQR-LSDHHAIUSA-N 1 3 250.430 3.101 20 30 CGEDHO C=CCC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C1CC1 ZINC000121554180 330403112 /nfs/dbraw/zinc/40/31/12/330403112.db2.gz NIQOKNVPNJYUGS-JYJNAYRXSA-N 1 3 250.430 3.194 20 30 CGEDHO CC[NH+](CC)Cc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442706416 330779941 /nfs/dbraw/zinc/77/99/41/330779941.db2.gz DGQZCDCGCDSFBY-QAPCUYQASA-N 1 3 285.435 3.310 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000249052849 334325899 /nfs/dbraw/zinc/32/58/99/334325899.db2.gz XZSATMDYQDJBLM-TWMKSMIVSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000249052849 334325901 /nfs/dbraw/zinc/32/59/01/334325901.db2.gz XZSATMDYQDJBLM-TWMKSMIVSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000249052849 334325902 /nfs/dbraw/zinc/32/59/02/334325902.db2.gz XZSATMDYQDJBLM-TWMKSMIVSA-N 1 3 277.456 3.026 20 30 CGEDHO C[C@H](CCN[C@@H](C)CC(C)(C)C#N)[NH+]1CCCCC1 ZINC000926141062 618168189 /nfs/dbraw/zinc/16/81/89/618168189.db2.gz FIYLKCCUGCSTFH-LSDHHAIUSA-N 1 3 265.445 3.169 20 30 CGEDHO C[C@H](CC[NH2+][C@@H](C)CC(C)(C)C#N)N1CCCCC1 ZINC000926141062 618168191 /nfs/dbraw/zinc/16/81/91/618168191.db2.gz FIYLKCCUGCSTFH-LSDHHAIUSA-N 1 3 265.445 3.169 20 30 CGEDHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(C#N)c1 ZINC000903069451 621567769 /nfs/dbraw/zinc/56/77/69/621567769.db2.gz HDLUJGQSJYCCSS-AEFFLSMTSA-N 1 3 285.435 3.331 20 30 CGEDHO C=CC[C@H](C)[C@@H](C)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382757 621723402 /nfs/dbraw/zinc/72/34/02/621723402.db2.gz HRWSWBGGYMREET-ZMSDIMECSA-N 1 3 275.440 3.265 20 30 CGEDHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903713593 621798590 /nfs/dbraw/zinc/79/85/90/621798590.db2.gz XBMWEVNTCXSJKZ-GJZGRUSLSA-N 1 3 263.429 3.052 20 30 CGEDHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903713593 621798592 /nfs/dbraw/zinc/79/85/92/621798592.db2.gz XBMWEVNTCXSJKZ-GJZGRUSLSA-N 1 3 263.429 3.052 20 30 CGEDHO N#CC1CCC(C[NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC000929289043 625992554 /nfs/dbraw/zinc/99/25/54/625992554.db2.gz UGNAKQCZDQORLV-UHFFFAOYSA-N 1 3 289.467 3.267 20 30 CGEDHO C=CCCSCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925710333 638574687 /nfs/dbraw/zinc/57/46/87/638574687.db2.gz WPUFHDYRGZIVQY-HZPDHXFCSA-N 1 3 282.497 3.054 20 30 CGEDHO N#CC1CCC(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000929720052 638944573 /nfs/dbraw/zinc/94/45/73/638944573.db2.gz UKKZIIBUGIFIDF-ABHNRTSZSA-N 1 3 289.467 3.124 20 30 CGEDHO N#CC1CCC(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000929720052 638944576 /nfs/dbraw/zinc/94/45/76/638944576.db2.gz UKKZIIBUGIFIDF-ABHNRTSZSA-N 1 3 289.467 3.124 20 30 CGEDHO CCCCCCCC[C@H](O)C[NH2+][C@H]1CCNCC1(C)C ZINC001246003135 804098413 /nfs/dbraw/zinc/09/84/13/804098413.db2.gz HEDRQBNZOTXIFE-HOTGVXAUSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCC[C@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC001246003135 804098424 /nfs/dbraw/zinc/09/84/24/804098424.db2.gz HEDRQBNZOTXIFE-HOTGVXAUSA-N 1 3 284.488 3.076 20 30 CGEDHO CCCCCCCC[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1N ZINC001246059878 804105068 /nfs/dbraw/zinc/10/50/68/804105068.db2.gz CBNLYXVKYNJHHY-GVDBMIGSSA-N 1 3 284.488 3.300 20 30 CGEDHO CCCCCCCC[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1N ZINC001246059878 804105070 /nfs/dbraw/zinc/10/50/70/804105070.db2.gz CBNLYXVKYNJHHY-GVDBMIGSSA-N 1 3 284.488 3.300 20 30 CGEDHO CCCCCCCCCCC[C@@H](C)[NH2+][C@@H]1CNC[C@@H]1N ZINC001246210826 804208578 /nfs/dbraw/zinc/20/85/78/804208578.db2.gz KXCBBJWMJVHBTQ-IXDOHACOSA-N 1 3 283.504 3.185 20 30 CGEDHO CCCCCCCC[C@@H](CCC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246585612 804429090 /nfs/dbraw/zinc/42/90/90/804429090.db2.gz PLDZYPBBHQEXBQ-BBWFWOEESA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCCC[C@@H](CCC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246585612 804429092 /nfs/dbraw/zinc/42/90/92/804429092.db2.gz PLDZYPBBHQEXBQ-BBWFWOEESA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246867627 804570014 /nfs/dbraw/zinc/57/00/14/804570014.db2.gz PSZCCODVNANGRB-JYJNAYRXSA-N 1 3 252.446 3.419 20 30 CGEDHO CCCCCCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246867627 804570018 /nfs/dbraw/zinc/57/00/18/804570018.db2.gz PSZCCODVNANGRB-JYJNAYRXSA-N 1 3 252.446 3.419 20 30 CGEDHO C=CCCCC[N@@H+](C)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246868605 804571407 /nfs/dbraw/zinc/57/14/07/804571407.db2.gz BFNRMMKWUYVEIZ-HUUCEWRRSA-N 1 3 252.446 3.441 20 30 CGEDHO C=CCCCC[N@H+](C)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246868605 804571410 /nfs/dbraw/zinc/57/14/10/804571410.db2.gz BFNRMMKWUYVEIZ-HUUCEWRRSA-N 1 3 252.446 3.441 20 30 CGEDHO C=CCC[C@@H](C)N1CCC([NH3+])(c2ccccc2OC)CC1 ZINC001258722781 807571048 /nfs/dbraw/zinc/57/10/48/807571048.db2.gz NAJWUJWNXKYJFF-OAHLLOKOSA-N 1 3 288.435 3.300 20 30 CGEDHO C=CCC[C@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258722428 807571290 /nfs/dbraw/zinc/57/12/90/807571290.db2.gz INQLMZVVUGUSMR-INIZCTEOSA-N 1 3 287.451 3.238 20 30 CGEDHO C[C@H](Cc1cccc(C#N)c1)[N@H+](CCCN)C1CCCCC1 ZINC001171179252 808000893 /nfs/dbraw/zinc/00/08/93/808000893.db2.gz PTZQWMACQGIVOK-MRXNPFEDSA-N 1 3 299.462 3.473 20 30 CGEDHO C[C@H](Cc1cccc(C#N)c1)[N@@H+](CCCN)C1CCCCC1 ZINC001171179252 808000899 /nfs/dbraw/zinc/00/08/99/808000899.db2.gz PTZQWMACQGIVOK-MRXNPFEDSA-N 1 3 299.462 3.473 20 30 CGEDHO CN1C(C)(C)CC([NH+]2CCC(S)CC2)CC1(C)C ZINC001171639225 808111720 /nfs/dbraw/zinc/11/17/20/808111720.db2.gz ABVONZOFOYNAEC-UHFFFAOYSA-N 1 3 270.486 3.032 20 30 CGEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3c1cccc3C#N)C2 ZINC001172119368 808182939 /nfs/dbraw/zinc/18/29/39/808182939.db2.gz YXCBPGNLXZZDMJ-OAFZBRQQSA-N 1 3 295.430 3.150 20 30 CGEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3c1cccc3C#N)C2 ZINC001172119368 808182942 /nfs/dbraw/zinc/18/29/42/808182942.db2.gz YXCBPGNLXZZDMJ-OAFZBRQQSA-N 1 3 295.430 3.150 20 30 CGEDHO C#CCCCN1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275975948 808980515 /nfs/dbraw/zinc/98/05/15/808980515.db2.gz SUHQFKULBAOAGT-SFHVURJKSA-N 1 3 274.452 3.130 20 30 CGEDHO C#CCCCN1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275975948 808980522 /nfs/dbraw/zinc/98/05/22/808980522.db2.gz SUHQFKULBAOAGT-SFHVURJKSA-N 1 3 274.452 3.130 20 30 CGEDHO C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205651692 813043229 /nfs/dbraw/zinc/04/32/29/813043229.db2.gz IFSCVOVXKSRLFH-TZMCWYRMSA-N 1 3 291.826 3.018 20 30 CGEDHO C=CCCCCC[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001209433257 814035537 /nfs/dbraw/zinc/03/55/37/814035537.db2.gz SLZXRPOZNKOUFR-UHFFFAOYSA-N 1 3 294.483 3.308 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)CC1 ZINC001235238998 819044061 /nfs/dbraw/zinc/04/40/61/819044061.db2.gz DODVYFPLFUFUCM-BRWVUGGUSA-N 1 3 260.425 3.102 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CCC[C@@]3(N)C2)CC1 ZINC001235238998 819044063 /nfs/dbraw/zinc/04/40/63/819044063.db2.gz DODVYFPLFUFUCM-BRWVUGGUSA-N 1 3 260.425 3.102 20 30 CGEDHO Cc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C#N)c1 ZINC001235425144 819092911 /nfs/dbraw/zinc/09/29/11/819092911.db2.gz IKKOZELRDVSFMT-SJORKVTESA-N 1 3 297.446 3.078 20 30 CGEDHO C#CCCCN(Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236518926 819512643 /nfs/dbraw/zinc/51/26/43/819512643.db2.gz YSAHVXQZYNNBKT-UHFFFAOYSA-N 1 3 288.410 3.102 20 30 CGEDHO C#CCCC[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236518926 819512649 /nfs/dbraw/zinc/51/26/49/819512649.db2.gz YSAHVXQZYNNBKT-UHFFFAOYSA-N 1 3 288.410 3.102 20 30 CGEDHO C#CCCC[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236518926 819512652 /nfs/dbraw/zinc/51/26/52/819512652.db2.gz YSAHVXQZYNNBKT-UHFFFAOYSA-N 1 3 288.410 3.102 20 30 CGEDHO N#CC1(CCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CCCCC1 ZINC001580039039 962687438 /nfs/dbraw/zinc/68/74/38/962687438.db2.gz YITQRQLWILBMPC-SJORKVTESA-N 1 3 289.467 3.315 20 30 CGEDHO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000591578310 346930045 /nfs/dbraw/zinc/93/00/45/346930045.db2.gz OMFYMVRQAXFMAX-VIQWUECVSA-N 1 3 297.446 3.122 20 30 CGEDHO CC1(C#N)CCC([NH2+]CC[C@H](N)Cc2ccccc2)CC1 ZINC000602023520 347933799 /nfs/dbraw/zinc/93/37/99/347933799.db2.gz XGYUXIPJKNHSSE-AOCRQIFASA-N 1 3 285.435 3.009 20 30 CGEDHO C[C@H](CCC#N)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000602563127 347982876 /nfs/dbraw/zinc/98/28/76/347982876.db2.gz FJKFBTJIVXHUHE-OAHLLOKOSA-N 1 3 277.456 3.313 20 30 CGEDHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000181699973 189304466 /nfs/dbraw/zinc/30/44/66/189304466.db2.gz WEEFCDIVKYVRKZ-RDJZCZTQSA-N 1 3 285.435 3.329 20 30 CGEDHO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(C)(C)CCC#N ZINC000093660245 370154337 /nfs/dbraw/zinc/15/43/37/370154337.db2.gz SDCWNVYRABOPDR-HNNXBMFYSA-N 1 3 265.445 3.123 20 30 CGEDHO CN(CC[C@@H]1CCCC[N@H+]1C)CC(C)(C)CCC#N ZINC000093660245 370154340 /nfs/dbraw/zinc/15/43/40/370154340.db2.gz SDCWNVYRABOPDR-HNNXBMFYSA-N 1 3 265.445 3.123 20 30 CGEDHO C=CCOc1ccc(CN(CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435386107 372755592 /nfs/dbraw/zinc/75/55/92/372755592.db2.gz SUFDVBNSGVODKU-QGZVFWFLSA-N 1 3 288.435 3.215 20 30 CGEDHO C=C[C@@H]1OCCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000449547828 373829943 /nfs/dbraw/zinc/82/99/43/373829943.db2.gz JXSOTKWZYKZKKR-MSOLQXFVSA-N 1 3 292.467 3.107 20 30 CGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449547828 373829952 /nfs/dbraw/zinc/82/99/52/373829952.db2.gz JXSOTKWZYKZKKR-MSOLQXFVSA-N 1 3 292.467 3.107 20 30 CGEDHO N#Cc1ccc(C[N@H+](CCCN2CCCCC2)C2CC2)cc1 ZINC000188981471 375303954 /nfs/dbraw/zinc/30/39/54/375303954.db2.gz UBEHKRDANQKVNB-UHFFFAOYSA-N 1 3 297.446 3.399 20 30 CGEDHO N#Cc1ccc(C[N@@H+](CCCN2CCCCC2)C2CC2)cc1 ZINC000188981471 375303962 /nfs/dbraw/zinc/30/39/62/375303962.db2.gz UBEHKRDANQKVNB-UHFFFAOYSA-N 1 3 297.446 3.399 20 30 CGEDHO CC[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(C#N)cc1 ZINC000574989817 377733980 /nfs/dbraw/zinc/73/39/80/377733980.db2.gz QNGGTMHRJCOKSJ-SFHVURJKSA-N 1 3 279.387 3.258 20 30 CGEDHO C=CCOc1cccc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000350174245 379523137 /nfs/dbraw/zinc/52/31/37/379523137.db2.gz AIWIUNYFKFJMTB-UHFFFAOYSA-N 1 3 288.435 3.025 20 30 CGEDHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1(CC#N)CC1 ZINC000376672529 379593340 /nfs/dbraw/zinc/59/33/40/379593340.db2.gz NVCUDPBQVMLAQS-FUHWJXTLSA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1(CC#N)CC1 ZINC000376672529 379593349 /nfs/dbraw/zinc/59/33/49/379593349.db2.gz NVCUDPBQVMLAQS-FUHWJXTLSA-N 1 3 297.446 3.180 20 30 CGEDHO Cc1cc(C#N)ccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000186173384 392777987 /nfs/dbraw/zinc/77/79/87/392777987.db2.gz CMGAHXQHVYEFDB-UHFFFAOYSA-N 1 3 285.435 3.030 20 30 CGEDHO C[C@H](NCCC(C)(C)C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347223076 393101760 /nfs/dbraw/zinc/10/17/60/393101760.db2.gz KCBXHELVSLEPES-GJZGRUSLSA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@H](NCCC(C)(C)C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347223076 393101763 /nfs/dbraw/zinc/10/17/63/393101763.db2.gz KCBXHELVSLEPES-GJZGRUSLSA-N 1 3 277.456 3.169 20 30 CGEDHO C[C@H]([NH2+]CCC(C)(C)C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000347223076 393101769 /nfs/dbraw/zinc/10/17/69/393101769.db2.gz KCBXHELVSLEPES-GJZGRUSLSA-N 1 3 277.456 3.169 20 30 CGEDHO C=CCCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000658116533 419592626 /nfs/dbraw/zinc/59/26/26/419592626.db2.gz MFMPJXHOJJIVMG-ZBFHGGJFSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCC[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000658116533 419592634 /nfs/dbraw/zinc/59/26/34/419592634.db2.gz MFMPJXHOJJIVMG-ZBFHGGJFSA-N 1 3 250.430 3.195 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000188194877 287561333 /nfs/dbraw/zinc/56/13/33/287561333.db2.gz QRECETYUQBWRPK-INIZCTEOSA-N 1 3 297.446 3.427 20 30 CGEDHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCCC#N ZINC000273008853 263010891 /nfs/dbraw/zinc/01/08/91/263010891.db2.gz BMTBEIDMNRJDNY-UHFFFAOYSA-N 1 3 273.424 3.038 20 30 CGEDHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCCC#N ZINC000273008853 263010892 /nfs/dbraw/zinc/01/08/92/263010892.db2.gz BMTBEIDMNRJDNY-UHFFFAOYSA-N 1 3 273.424 3.038 20 30 CGEDHO C=CC[N@@H+](CCc1ccccc1)CC[C@H]1CCCN1C ZINC000340372143 263120621 /nfs/dbraw/zinc/12/06/21/263120621.db2.gz SUTDXCSYOOIMKF-GOSISDBHSA-N 1 3 272.436 3.201 20 30 CGEDHO C=CC[N@H+](CCc1ccccc1)CC[C@H]1CCCN1C ZINC000340372143 263120622 /nfs/dbraw/zinc/12/06/22/263120622.db2.gz SUTDXCSYOOIMKF-GOSISDBHSA-N 1 3 272.436 3.201 20 30 CGEDHO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000423129344 330171539 /nfs/dbraw/zinc/17/15/39/330171539.db2.gz QZUNZZLXJLYHPV-OWCLPIDISA-N 1 3 277.456 3.217 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248894304 334321133 /nfs/dbraw/zinc/32/11/33/334321133.db2.gz SYRBQSILSUSYCC-TWMKSMIVSA-N 1 3 291.483 3.415 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248894304 334321135 /nfs/dbraw/zinc/32/11/35/334321135.db2.gz SYRBQSILSUSYCC-TWMKSMIVSA-N 1 3 291.483 3.415 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000930601559 619028565 /nfs/dbraw/zinc/02/85/65/619028565.db2.gz IKWMVFLEMLNYQW-IBGZPJMESA-N 1 3 297.446 3.093 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000930601559 619028568 /nfs/dbraw/zinc/02/85/68/619028568.db2.gz IKWMVFLEMLNYQW-IBGZPJMESA-N 1 3 297.446 3.093 20 30 CGEDHO C=CCC[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000903378881 621721322 /nfs/dbraw/zinc/72/13/22/621721322.db2.gz FCBIQYNVMGBHQF-QZTJIDSGSA-N 1 3 287.451 3.409 20 30 CGEDHO C[C@H]1CCC[N@H+](CCCCC2(C#N)CCC2)[C@H]1CCN ZINC000903768413 621803920 /nfs/dbraw/zinc/80/39/20/621803920.db2.gz MTELAROYOXWROM-HOTGVXAUSA-N 1 3 277.456 3.300 20 30 CGEDHO C[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@H]1CCN ZINC000903768413 621803921 /nfs/dbraw/zinc/80/39/21/621803921.db2.gz MTELAROYOXWROM-HOTGVXAUSA-N 1 3 277.456 3.300 20 30 CGEDHO CN(C)CC[C@@H]([NH2+]Cc1csc(C#N)c1)C(C)(C)C ZINC000921749781 625863505 /nfs/dbraw/zinc/86/35/05/625863505.db2.gz QDXZLXOSJWYKHB-CQSZACIVSA-N 1 3 279.453 3.076 20 30 CGEDHO CCCCCCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000863539873 629600822 /nfs/dbraw/zinc/60/08/22/629600822.db2.gz MCRJGBVKSPGCGP-CYBMUJFWSA-N 1 3 263.429 3.470 20 30 CGEDHO C#Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000809594900 630756870 /nfs/dbraw/zinc/75/68/70/630756870.db2.gz CMGBSQRARJHJGZ-AZUAARDMSA-N 1 3 294.442 3.117 20 30 CGEDHO C#Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000809594900 630756872 /nfs/dbraw/zinc/75/68/72/630756872.db2.gz CMGBSQRARJHJGZ-AZUAARDMSA-N 1 3 294.442 3.117 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924750989 638399150 /nfs/dbraw/zinc/39/91/50/638399150.db2.gz HZIGGZHSWDAXIK-CABCVRRESA-N 1 3 279.472 3.415 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000924750989 638399153 /nfs/dbraw/zinc/39/91/53/638399153.db2.gz HZIGGZHSWDAXIK-CABCVRRESA-N 1 3 279.472 3.415 20 30 CGEDHO CCCCCCCCCC[C@H](O)CN1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246034463 804101876 /nfs/dbraw/zinc/10/18/76/804101876.db2.gz QTYNAQXWLPUDLC-XSLAGTTESA-N 1 3 296.499 3.300 20 30 CGEDHO CCCCCCC[C@@H](CCC)[NH2+][C@]1(CCO)CCNC1 ZINC001246292422 804261930 /nfs/dbraw/zinc/26/19/30/804261930.db2.gz JPBUIPVMHAXKOF-SJORKVTESA-N 1 3 284.488 3.220 20 30 CGEDHO C=C1C[C@@H]2CC([NH2+][C@H]3CCNCC3(C)C)C[C@H](C1)C2 ZINC001246377360 804312493 /nfs/dbraw/zinc/31/24/93/804312493.db2.gz ODLDWVBXMHCSHT-QXULXFAOSA-N 1 3 262.441 3.099 20 30 CGEDHO CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1CNCC[C@H]1N ZINC001246494480 804360506 /nfs/dbraw/zinc/36/05/06/804360506.db2.gz GFTYCXSUGOVUGK-BBWFWOEESA-N 1 3 283.504 3.040 20 30 CGEDHO CC(C)CN1CCC([NH2+]CCCCCCS)CC1 ZINC001258008927 807264013 /nfs/dbraw/zinc/26/40/13/807264013.db2.gz LTUFILAVCVVKCP-UHFFFAOYSA-N 1 3 272.502 3.187 20 30 CGEDHO C[C@@H]1CC(NCCCC#N)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168021538 807300656 /nfs/dbraw/zinc/30/06/56/807300656.db2.gz PUNWMOXNXCGFKC-HZPDHXFCSA-N 1 3 285.435 3.321 20 30 CGEDHO C=CCC[C@H](C)[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 ZINC001258717474 807566850 /nfs/dbraw/zinc/56/68/50/807566850.db2.gz OQAXSTCPLJJNND-JYJNAYRXSA-N 1 3 252.446 3.299 20 30 CGEDHO C=CCC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H](C)CN ZINC001258721364 807570045 /nfs/dbraw/zinc/57/00/45/807570045.db2.gz TZKNARRKLATWIZ-HOTGVXAUSA-N 1 3 260.425 3.438 20 30 CGEDHO C=CCC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)CN ZINC001258721364 807570048 /nfs/dbraw/zinc/57/00/48/807570048.db2.gz TZKNARRKLATWIZ-HOTGVXAUSA-N 1 3 260.425 3.438 20 30 CGEDHO CCC[N@H+](CCCN)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359000 807830175 /nfs/dbraw/zinc/83/01/75/807830175.db2.gz LCZIEFBWMVDSJL-UHFFFAOYSA-N 1 3 299.462 3.451 20 30 CGEDHO CCC[N@@H+](CCCN)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359000 807830184 /nfs/dbraw/zinc/83/01/84/807830184.db2.gz LCZIEFBWMVDSJL-UHFFFAOYSA-N 1 3 299.462 3.451 20 30 CGEDHO C[C@@H]1CCCCN1CCC[NH2+]C1CCC(CC#N)CC1 ZINC001173328227 808613679 /nfs/dbraw/zinc/61/36/79/808613679.db2.gz SQXISWCDUXAKQN-KLAILNCOSA-N 1 3 277.456 3.313 20 30 CGEDHO C[C@@H]1CCN(Cc2ccc(Cl)c(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205651648 813042576 /nfs/dbraw/zinc/04/25/76/813042576.db2.gz HVVCGQMDINWCNO-TZMCWYRMSA-N 1 3 291.826 3.018 20 30 CGEDHO CCc1cc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)ccc1C#N ZINC001206606767 813372537 /nfs/dbraw/zinc/37/25/37/813372537.db2.gz RQXQSTCEFXOAPD-LJQANCHMSA-N 1 3 299.462 3.473 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN(C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC001235952484 819243556 /nfs/dbraw/zinc/24/35/56/819243556.db2.gz XZUIZNXAFDUWQA-IAGOWNOFSA-N 1 3 262.441 3.220 20 30 CGEDHO CCCCCCC[N@H+](CCOCC)C1CCNCC1 ZINC001236459622 819486023 /nfs/dbraw/zinc/48/60/23/819486023.db2.gz BAWFHFAVBSTLBM-UHFFFAOYSA-N 1 3 270.461 3.047 20 30 CGEDHO CCCCCCC[N@@H+](CCOCC)C1CCNCC1 ZINC001236459622 819486024 /nfs/dbraw/zinc/48/60/24/819486024.db2.gz BAWFHFAVBSTLBM-UHFFFAOYSA-N 1 3 270.461 3.047 20 30 CGEDHO CCCCCCCN(CCOCC)C1CC[NH2+]CC1 ZINC001236459622 819486028 /nfs/dbraw/zinc/48/60/28/819486028.db2.gz BAWFHFAVBSTLBM-UHFFFAOYSA-N 1 3 270.461 3.047 20 30 CGEDHO C=CC[C@H](C)[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC001473132248 937793803 /nfs/dbraw/zinc/79/38/03/937793803.db2.gz CYPWKLDNOQPRTP-IRXDYDNUSA-N 1 3 264.457 3.395 20 30 CGEDHO C=CC[C@H](C)[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC001473132248 937793804 /nfs/dbraw/zinc/79/38/04/937793804.db2.gz CYPWKLDNOQPRTP-IRXDYDNUSA-N 1 3 264.457 3.395 20 30 CGEDHO C=CC[C@H](C)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132248 937793806 /nfs/dbraw/zinc/79/38/06/937793806.db2.gz CYPWKLDNOQPRTP-IRXDYDNUSA-N 1 3 264.457 3.395 20 30 CGEDHO CCC#C[C@@H](C)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC001576923807 962503171 /nfs/dbraw/zinc/50/31/71/962503171.db2.gz QRSNUKURRSOVEI-WBVHZDCISA-N 1 3 298.430 3.105 20 30 CGEDHO CCN(C[C@H]1CCCC[NH2+]C1)[C@@H](C)c1ccc(C#N)cc1 ZINC001577707503 962564194 /nfs/dbraw/zinc/56/41/94/962564194.db2.gz MNUMCJHOGXZNAQ-RDJZCZTQSA-N 1 3 285.435 3.331 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000591577506 346929932 /nfs/dbraw/zinc/92/99/32/346929932.db2.gz NFMPEWSSVSOGFQ-NXHRZFHOSA-N 1 3 283.419 3.043 20 30 CGEDHO C#CCCCC[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000090397947 345786731 /nfs/dbraw/zinc/78/67/31/345786731.db2.gz FQHYMOAOBSFSJJ-SJLPKXTDSA-N 1 3 276.468 3.423 20 30 CGEDHO C#CCCCCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000090397947 345786735 /nfs/dbraw/zinc/78/67/35/345786735.db2.gz FQHYMOAOBSFSJJ-SJLPKXTDSA-N 1 3 276.468 3.423 20 30 CGEDHO C=CCCSCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000596650633 347498248 /nfs/dbraw/zinc/49/82/48/347498248.db2.gz MDEHKJQKWUQDOH-LSDHHAIUSA-N 1 3 270.486 3.196 20 30 CGEDHO N#Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000596653033 347498647 /nfs/dbraw/zinc/49/86/47/347498647.db2.gz YSHPJXRVXXHJGA-GBESFXJTSA-N 1 3 297.446 3.001 20 30 CGEDHO C[C@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1ccc(C#N)cc1 ZINC000602020477 347933933 /nfs/dbraw/zinc/93/39/33/347933933.db2.gz MALWWUJUUGCOKR-HNAYVOBHSA-N 1 3 293.414 3.169 20 30 CGEDHO C[C@H](CCC#N)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000602535151 347977489 /nfs/dbraw/zinc/97/74/89/347977489.db2.gz OAMRNIADLJVWLT-IEBWSBKVSA-N 1 3 299.462 3.080 20 30 CGEDHO C[C@H](CCC#N)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000618888401 349176151 /nfs/dbraw/zinc/17/61/51/349176151.db2.gz XHXDUJVUURFBNP-OAGGEKHMSA-N 1 3 277.456 3.169 20 30 CGEDHO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635010196 351628366 /nfs/dbraw/zinc/62/83/66/351628366.db2.gz YZICHSIXEPIZFC-YQQAZPJKSA-N 1 3 260.425 3.137 20 30 CGEDHO C[NH+](C)CCCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000123336308 187085218 /nfs/dbraw/zinc/08/52/18/187085218.db2.gz PGFGTFBYJRVBNE-UHFFFAOYSA-N 1 3 285.435 3.112 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2ccccc2C)CC1 ZINC000106246129 370351575 /nfs/dbraw/zinc/35/15/75/370351575.db2.gz ZVROXODAIXIVGL-UHFFFAOYSA-N 1 3 258.409 3.125 20 30 CGEDHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000423289431 372048722 /nfs/dbraw/zinc/04/87/22/372048722.db2.gz AVXVZDQRNFWCGW-KBPBESRZSA-N 1 3 279.387 3.429 20 30 CGEDHO CN(CCCCC(C)(C)C#N)CCC[NH+]1CCCC1 ZINC000337275472 376185705 /nfs/dbraw/zinc/18/57/05/376185705.db2.gz QJXVMTWFNUSSMU-UHFFFAOYSA-N 1 3 265.445 3.124 20 30 CGEDHO CC[C@@H](NC1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000278281341 379333994 /nfs/dbraw/zinc/33/39/94/379333994.db2.gz PXOOTZZFUXWEMR-QGZVFWFLSA-N 1 3 271.408 3.083 20 30 CGEDHO CC[NH+](CC)CC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000350175972 379526132 /nfs/dbraw/zinc/52/61/32/379526132.db2.gz KULBYVRNPPRAET-UHFFFAOYSA-N 1 3 291.464 3.174 20 30 CGEDHO C=CCC[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccco1 ZINC000643537114 380354675 /nfs/dbraw/zinc/35/46/75/380354675.db2.gz ZLFGVNQTUGAYCQ-ZFWWWQNUSA-N 1 3 260.381 3.019 20 30 CGEDHO Cc1cc(C#N)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000186094011 392776600 /nfs/dbraw/zinc/77/66/00/392776600.db2.gz XBXJVOAWIQZPGV-UHFFFAOYSA-N 1 3 297.446 3.175 20 30 CGEDHO CC(C)CN1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353269424 393217718 /nfs/dbraw/zinc/21/77/18/393217718.db2.gz TVQIXAYUIOKGCE-LJQANCHMSA-N 1 3 297.446 3.256 20 30 CGEDHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000423292849 393659506 /nfs/dbraw/zinc/65/95/06/393659506.db2.gz ORIHJLOBRSQGHT-DJJJIMSYSA-N 1 3 291.398 3.355 20 30 CGEDHO C=C(C)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048562982 416453224 /nfs/dbraw/zinc/45/32/24/416453224.db2.gz JDSVCXZBVGAWQV-UHFFFAOYSA-N 1 3 250.430 3.151 20 30 CGEDHO C=C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000309921175 262053016 /nfs/dbraw/zinc/05/30/16/262053016.db2.gz QXAJFUUTHMZGJI-LEUOFYLZSA-N 1 3 270.420 3.061 20 30 CGEDHO C=C[C@H](C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309921175 262053018 /nfs/dbraw/zinc/05/30/18/262053018.db2.gz QXAJFUUTHMZGJI-LEUOFYLZSA-N 1 3 270.420 3.061 20 30 CGEDHO C=C[C@H](C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000309921175 262053021 /nfs/dbraw/zinc/05/30/21/262053021.db2.gz QXAJFUUTHMZGJI-LEUOFYLZSA-N 1 3 270.420 3.061 20 30 CGEDHO N#CCCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000273125798 263013072 /nfs/dbraw/zinc/01/30/72/263013072.db2.gz ANIQZWIFQYNBRB-IPMKNSEASA-N 1 3 297.446 3.180 20 30 CGEDHO N#CCCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000273125798 263013073 /nfs/dbraw/zinc/01/30/73/263013073.db2.gz ANIQZWIFQYNBRB-IPMKNSEASA-N 1 3 297.446 3.180 20 30 CGEDHO N#CCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000273125798 263013074 /nfs/dbraw/zinc/01/30/74/263013074.db2.gz ANIQZWIFQYNBRB-IPMKNSEASA-N 1 3 297.446 3.180 20 30 CGEDHO C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@H]1CCC[NH2+]C1 ZINC000423221994 279534619 /nfs/dbraw/zinc/53/46/19/279534619.db2.gz ZAZGFAVMWRQZEU-FNHZYXHNSA-N 1 3 297.446 3.303 20 30 CGEDHO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000563425717 328065785 /nfs/dbraw/zinc/06/57/85/328065785.db2.gz QLNCPTDWKYMZGF-GVDBMIGSSA-N 1 3 258.409 3.033 20 30 CGEDHO N#CCCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000178640529 329201701 /nfs/dbraw/zinc/20/17/01/329201701.db2.gz GSXWSQTWLBJTLM-UHFFFAOYSA-N 1 3 263.429 3.067 20 30 CGEDHO C=CCOc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000423109902 330170910 /nfs/dbraw/zinc/17/09/10/330170910.db2.gz TZHHPJUNKVBUBG-IRXDYDNUSA-N 1 3 274.408 3.001 20 30 CGEDHO N#CCCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453194697 331099924 /nfs/dbraw/zinc/09/99/24/331099924.db2.gz OPNYCYJMMJKBHY-GUDVDZBRSA-N 1 3 297.446 3.323 20 30 CGEDHO N#CCCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453194697 331099925 /nfs/dbraw/zinc/09/99/25/331099925.db2.gz OPNYCYJMMJKBHY-GUDVDZBRSA-N 1 3 297.446 3.323 20 30 CGEDHO C=C(C)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309980507 333052277 /nfs/dbraw/zinc/05/22/77/333052277.db2.gz URLYCHYBZKQBOC-MSOLQXFVSA-N 1 3 270.420 3.016 20 30 CGEDHO C=C(C)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309980507 333052278 /nfs/dbraw/zinc/05/22/78/333052278.db2.gz URLYCHYBZKQBOC-MSOLQXFVSA-N 1 3 270.420 3.016 20 30 CGEDHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cc(C#N)cs1 ZINC000177685716 335378886 /nfs/dbraw/zinc/37/88/86/335378886.db2.gz KWTWNVMVAKONOX-CQSZACIVSA-N 1 3 291.464 3.364 20 30 CGEDHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cc(C#N)cs1 ZINC000177685716 335378887 /nfs/dbraw/zinc/37/88/87/335378887.db2.gz KWTWNVMVAKONOX-CQSZACIVSA-N 1 3 291.464 3.364 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2cccc(CC)c2)CC1 ZINC000581552697 336101756 /nfs/dbraw/zinc/10/17/56/336101756.db2.gz KQTRERNSBBGQIA-UHFFFAOYSA-N 1 3 272.436 3.379 20 30 CGEDHO C[C@H](CN(C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000895378521 619816706 /nfs/dbraw/zinc/81/67/06/619816706.db2.gz QVGAGRMWOCXXES-CRAIPNDOSA-N 1 3 285.435 3.110 20 30 CGEDHO C[C@H](CN(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000895378521 619816709 /nfs/dbraw/zinc/81/67/09/619816709.db2.gz QVGAGRMWOCXXES-CRAIPNDOSA-N 1 3 285.435 3.110 20 30 CGEDHO Cc1cc(C#N)cc(C)c1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000903453751 621761774 /nfs/dbraw/zinc/76/17/74/621761774.db2.gz KNRYJBXZPDPJCS-HKUYNNGSSA-N 1 3 297.446 3.139 20 30 CGEDHO C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000925612138 638545382 /nfs/dbraw/zinc/54/53/82/638545382.db2.gz JGTCIEBCNSOJBI-APHBMKBZSA-N 1 3 271.408 3.115 20 30 CGEDHO N#CC1CCC(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925655081 638557957 /nfs/dbraw/zinc/55/79/57/638557957.db2.gz PKHWMTVVRMYNTI-NANBGGJNSA-N 1 3 289.467 3.074 20 30 CGEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926341695 638764433 /nfs/dbraw/zinc/76/44/33/638764433.db2.gz GZMQJXUASFEKCL-AEFFLSMTSA-N 1 3 294.483 3.068 20 30 CGEDHO C=CCCCCCC[C@H](O)CN(CC)CCC[NH+](C)C ZINC001253242511 806192088 /nfs/dbraw/zinc/19/20/88/806192088.db2.gz MISRAEARIFLYBQ-KRWDZBQOSA-N 1 3 284.488 3.148 20 30 CGEDHO CC[C@@H](N[C@H]1CCC[N@H+](C)CC1)c1cccc(C#N)c1 ZINC001254508437 806427206 /nfs/dbraw/zinc/42/72/06/806427206.db2.gz QWSJYKXKKVGUQS-DLBZAZTESA-N 1 3 271.408 3.083 20 30 CGEDHO CC[C@@H](N[C@H]1CCC[N@@H+](C)CC1)c1cccc(C#N)c1 ZINC001254508437 806427213 /nfs/dbraw/zinc/42/72/13/806427213.db2.gz QWSJYKXKKVGUQS-DLBZAZTESA-N 1 3 271.408 3.083 20 30 CGEDHO CCCCCCCCCC[C@H](O)CNC[C@]1(C)CC[NH2+]C1 ZINC001245985327 804093634 /nfs/dbraw/zinc/09/36/34/804093634.db2.gz AYKRCISZFBZQEC-ZWKOTPCHSA-N 1 3 298.515 3.467 20 30 CGEDHO C#CC(CC)(CC)[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246073263 804110253 /nfs/dbraw/zinc/11/02/53/804110253.db2.gz WGPHNZCYCGKIHJ-QZTJIDSGSA-N 1 3 284.447 3.131 20 30 CGEDHO CCCCCCC[C@H](CCC)[NH2+][C@]12C[C@H]1CNC2 ZINC001246133977 804158846 /nfs/dbraw/zinc/15/88/46/804158846.db2.gz KZHIYQWWDQXPRT-JYJNAYRXSA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCC[C@H](CCC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246419373 804328572 /nfs/dbraw/zinc/32/85/72/804328572.db2.gz UMCRQGBMCBZNKX-HOTGVXAUSA-N 1 3 299.503 3.088 20 30 CGEDHO CCCC[C@@H]1C[C@H]([NH2+]CCCCCCS)CCN1 ZINC001246464884 804345771 /nfs/dbraw/zinc/34/57/71/804345771.db2.gz HAVGAICHDZQEIP-HUUCEWRRSA-N 1 3 272.502 3.377 20 30 CGEDHO C=CCC[C@H](C)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC001258717475 807566324 /nfs/dbraw/zinc/56/63/24/807566324.db2.gz OQAXSTCPLJJNND-OAGGEKHMSA-N 1 3 252.446 3.299 20 30 CGEDHO C#C[C@](C)(CC)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171623458 808106421 /nfs/dbraw/zinc/10/64/21/808106421.db2.gz ZVBDVNBALBHSJX-MRXNPFEDSA-N 1 3 250.430 3.029 20 30 CGEDHO N#CCCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074057 808170539 /nfs/dbraw/zinc/17/05/39/808170539.db2.gz TVWBDBSUMJHMAP-REPLKXPHSA-N 1 3 297.446 3.465 20 30 CGEDHO N#CCCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074057 808170545 /nfs/dbraw/zinc/17/05/45/808170545.db2.gz TVWBDBSUMJHMAP-REPLKXPHSA-N 1 3 297.446 3.465 20 30 CGEDHO N#CCC1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC001173328786 808614006 /nfs/dbraw/zinc/61/40/06/808614006.db2.gz NSCPYSUREVVGMO-UHFFFAOYSA-N 1 3 289.467 3.455 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)C1 ZINC001199583283 811580793 /nfs/dbraw/zinc/58/07/93/811580793.db2.gz WNRWXOPCGLLLEB-ZACQAIPSSA-N 1 3 264.457 3.443 20 30 CGEDHO C[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205652953 813042461 /nfs/dbraw/zinc/04/24/61/813042461.db2.gz RMHNTGSUWKQNKK-SWLSCSKDSA-N 1 3 291.826 3.018 20 30 CGEDHO C=C1CC[NH2+]C[C@@H]1Oc1ccc2ccccc2c1CN(C)C ZINC001218208162 816128573 /nfs/dbraw/zinc/12/85/73/816128573.db2.gz XUKGOCOXWSCOOM-IBGZPJMESA-N 1 3 296.414 3.198 20 30 CGEDHO CCCCCCCC[N@H+](CCOC)C1CCNCC1 ZINC001235946683 819235647 /nfs/dbraw/zinc/23/56/47/819235647.db2.gz PDYBNNIYHBSYGC-UHFFFAOYSA-N 1 3 270.461 3.047 20 30 CGEDHO CCCCCCCC[N@@H+](CCOC)C1CCNCC1 ZINC001235946683 819235651 /nfs/dbraw/zinc/23/56/51/819235651.db2.gz PDYBNNIYHBSYGC-UHFFFAOYSA-N 1 3 270.461 3.047 20 30 CGEDHO CCCCCCCCN(CCOC)C1CC[NH2+]CC1 ZINC001235946683 819235656 /nfs/dbraw/zinc/23/56/56/819235656.db2.gz PDYBNNIYHBSYGC-UHFFFAOYSA-N 1 3 270.461 3.047 20 30 CGEDHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096294 933998533 /nfs/dbraw/zinc/99/85/33/933998533.db2.gz RHQNUFMYVVZKSB-KGLIPLIRSA-N 1 3 289.398 3.080 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(N)CCCCC1 ZINC000591575868 346929190 /nfs/dbraw/zinc/92/91/90/346929190.db2.gz DFHRMZGMYNEWTA-KRWDZBQOSA-N 1 3 283.419 3.187 20 30 CGEDHO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000365433296 346548515 /nfs/dbraw/zinc/54/85/15/346548515.db2.gz QPRIWWQHBDUYKN-INIZCTEOSA-N 1 3 277.456 3.124 20 30 CGEDHO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000365433296 346548517 /nfs/dbraw/zinc/54/85/17/346548517.db2.gz QPRIWWQHBDUYKN-INIZCTEOSA-N 1 3 277.456 3.124 20 30 CGEDHO CC[N@H+](Cc1ccc(CN(C)C)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000599661331 347762421 /nfs/dbraw/zinc/76/24/21/347762421.db2.gz UNQONDFVYBMOEN-MSOLQXFVSA-N 1 3 285.435 3.262 20 30 CGEDHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000599661331 347762422 /nfs/dbraw/zinc/76/24/22/347762422.db2.gz UNQONDFVYBMOEN-MSOLQXFVSA-N 1 3 285.435 3.262 20 30 CGEDHO C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)CN1CCCC1 ZINC000611391133 348444450 /nfs/dbraw/zinc/44/44/50/348444450.db2.gz UUKZGRUPNLKLIE-BEFAXECRSA-N 1 3 297.446 3.257 20 30 CGEDHO C=CCCC(C)(C)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000631216785 350993408 /nfs/dbraw/zinc/99/34/08/350993408.db2.gz APIRKEHYGCKPCT-GJZGRUSLSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCCC(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631216785 350993412 /nfs/dbraw/zinc/99/34/12/350993412.db2.gz APIRKEHYGCKPCT-GJZGRUSLSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCCC(C)(C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631216785 350993414 /nfs/dbraw/zinc/99/34/14/350993414.db2.gz APIRKEHYGCKPCT-GJZGRUSLSA-N 1 3 250.430 3.195 20 30 CGEDHO C=CCC[C@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1CC1 ZINC000635006934 351625481 /nfs/dbraw/zinc/62/54/81/351625481.db2.gz NDCHTFVZQPROOU-MSOLQXFVSA-N 1 3 272.436 3.281 20 30 CGEDHO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc2c1CCNC2 ZINC000635009583 351627607 /nfs/dbraw/zinc/62/76/07/351627607.db2.gz HWSAJJPRJHHPKQ-UONOGXRCSA-N 1 3 258.409 3.023 20 30 CGEDHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(C#N)s1 ZINC000176948349 189016366 /nfs/dbraw/zinc/01/63/66/189016366.db2.gz WWETZAWGGSTEQO-AWEZNQCLSA-N 1 3 291.464 3.364 20 30 CGEDHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(C#N)s1 ZINC000176948349 189016367 /nfs/dbraw/zinc/01/63/67/189016367.db2.gz WWETZAWGGSTEQO-AWEZNQCLSA-N 1 3 291.464 3.364 20 30 CGEDHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(C#N)cc1 ZINC000423289439 296135120 /nfs/dbraw/zinc/13/51/20/296135120.db2.gz AVXVZDQRNFWCGW-UONOGXRCSA-N 1 3 279.387 3.429 20 30 CGEDHO C=CCOc1cccc(CN(CC)[C@H]2CCC[NH2+]CC2)c1 ZINC000435381652 372756463 /nfs/dbraw/zinc/75/64/63/372756463.db2.gz VDVBHWSJQJIQKA-KRWDZBQOSA-N 1 3 288.435 3.215 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CC[C@H](C#N)C2)C1 ZINC000442722661 373069471 /nfs/dbraw/zinc/06/94/71/373069471.db2.gz XXYBOFCHALXAKO-FZKCQIBNSA-N 1 3 277.456 3.025 20 30 CGEDHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H]2CC[C@H](C#N)C2)C1 ZINC000442722661 373069481 /nfs/dbraw/zinc/06/94/81/373069481.db2.gz XXYBOFCHALXAKO-FZKCQIBNSA-N 1 3 277.456 3.025 20 30 CGEDHO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643549037 380367213 /nfs/dbraw/zinc/36/72/13/380367213.db2.gz ZIROJZGCYJCOEF-HUUCEWRRSA-N 1 3 250.430 3.386 20 30 CGEDHO CC(C)CN1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000120762927 392403105 /nfs/dbraw/zinc/40/31/05/392403105.db2.gz JDYYSEGSFOGIFM-MRXNPFEDSA-N 1 3 279.472 3.274 20 30 CGEDHO C=CC[N@@H+](CCc1ccccc1)CC[C@@H]1CCCN1C ZINC000340372144 263120451 /nfs/dbraw/zinc/12/04/51/263120451.db2.gz SUTDXCSYOOIMKF-SFHVURJKSA-N 1 3 272.436 3.201 20 30 CGEDHO C=CC[N@H+](CCc1ccccc1)CC[C@@H]1CCCN1C ZINC000340372144 263120452 /nfs/dbraw/zinc/12/04/52/263120452.db2.gz SUTDXCSYOOIMKF-SFHVURJKSA-N 1 3 272.436 3.201 20 30 CGEDHO N#CCCCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370651184 267335566 /nfs/dbraw/zinc/33/55/66/267335566.db2.gz OZVVCNXBHLZIMN-UHFFFAOYSA-N 1 3 297.446 3.278 20 30 CGEDHO N#CCCCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370651184 267335569 /nfs/dbraw/zinc/33/55/69/267335569.db2.gz OZVVCNXBHLZIMN-UHFFFAOYSA-N 1 3 297.446 3.278 20 30 CGEDHO CC[N@@H+]1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000341707611 276231617 /nfs/dbraw/zinc/23/16/17/276231617.db2.gz NGQFEDXVEKQCEO-JVPBZIDWSA-N 1 3 297.446 3.256 20 30 CGEDHO CC[N@H+]1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000341707611 276231618 /nfs/dbraw/zinc/23/16/18/276231618.db2.gz NGQFEDXVEKQCEO-JVPBZIDWSA-N 1 3 297.446 3.256 20 30 CGEDHO C[C@H](N(C)CC#CC[N@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000351423366 278223527 /nfs/dbraw/zinc/22/35/27/278223527.db2.gz VNSSPCQIQPGSGQ-HOTGVXAUSA-N 1 3 276.468 3.231 20 30 CGEDHO C[C@H](N(C)CC#CC[N@@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000351423366 278223528 /nfs/dbraw/zinc/22/35/28/278223528.db2.gz VNSSPCQIQPGSGQ-HOTGVXAUSA-N 1 3 276.468 3.231 20 30 CGEDHO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000558419134 327092658 /nfs/dbraw/zinc/09/26/58/327092658.db2.gz ORDOWSHPBFZFFX-HOTGVXAUSA-N 1 3 252.446 3.441 20 30 CGEDHO C[C@@H]1CCCCN1CCC[NH2+]CC(C)(C)CCC#N ZINC000135132651 334117031 /nfs/dbraw/zinc/11/70/31/334117031.db2.gz QAMBULGJUXGLBD-OAHLLOKOSA-N 1 3 265.445 3.170 20 30 CGEDHO C=CCC[C@@H](NCC1CC[NH+](C)CC1)c1ccco1 ZINC000356063556 527446989 /nfs/dbraw/zinc/44/69/89/527446989.db2.gz FSNUEXAKGVQHRH-OAHLLOKOSA-N 1 3 262.397 3.218 20 30 CGEDHO C[C@H](CC(C)(C)C#N)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000926141061 618168386 /nfs/dbraw/zinc/16/83/86/618168386.db2.gz FIYLKCCUGCSTFH-HUUCEWRRSA-N 1 3 265.445 3.169 20 30 CGEDHO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000926141061 618168393 /nfs/dbraw/zinc/16/83/93/618168393.db2.gz FIYLKCCUGCSTFH-HUUCEWRRSA-N 1 3 265.445 3.169 20 30 CGEDHO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926341696 618508358 /nfs/dbraw/zinc/50/83/58/618508358.db2.gz GZMQJXUASFEKCL-FUHWJXTLSA-N 1 3 294.483 3.068 20 30 CGEDHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(C#N)c(Cl)c2)C1 ZINC000925664476 619119162 /nfs/dbraw/zinc/11/91/62/619119162.db2.gz FKOHSIMQRANIAX-KBPBESRZSA-N 1 3 291.826 3.207 20 30 CGEDHO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000921818568 625889001 /nfs/dbraw/zinc/88/90/01/625889001.db2.gz QCUOCPVLMSJKMB-SJORKVTESA-N 1 3 285.435 3.138 20 30 CGEDHO C#CCCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285575 635445479 /nfs/dbraw/zinc/44/54/79/635445479.db2.gz CFQPWWWPWZTEAP-SJLPKXTDSA-N 1 3 274.452 3.129 20 30 CGEDHO C#CCCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878285575 635445486 /nfs/dbraw/zinc/44/54/86/635445486.db2.gz CFQPWWWPWZTEAP-SJLPKXTDSA-N 1 3 274.452 3.129 20 30 CGEDHO C#Cc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738586 630794743 /nfs/dbraw/zinc/79/47/43/630794743.db2.gz AEOLBIWUKMGHRH-UHFFFAOYSA-N 1 3 292.426 3.362 20 30 CGEDHO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccccc1SCC ZINC000815652546 631813949 /nfs/dbraw/zinc/81/39/49/631813949.db2.gz HSFXHYUKAJXQCP-HNNXBMFYSA-N 1 3 290.476 3.404 20 30 CGEDHO C#CC[N@H+](C)CCCN[C@@H](C)c1ccccc1SCC ZINC000815652546 631813950 /nfs/dbraw/zinc/81/39/50/631813950.db2.gz HSFXHYUKAJXQCP-HNNXBMFYSA-N 1 3 290.476 3.404 20 30 CGEDHO C#CCCCCCC[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000877643316 635128883 /nfs/dbraw/zinc/12/88/83/635128883.db2.gz GZTAQSIUSNCGDR-SFHVURJKSA-N 1 3 276.468 3.282 20 30 CGEDHO C=CC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000878411818 635495103 /nfs/dbraw/zinc/49/51/03/635495103.db2.gz OOOBWJHMOWGAMA-KKUMJFAQSA-N 1 3 250.430 3.194 20 30 CGEDHO C=C(C)C[NH+]1CCC(NC/C=C\c2cccc(F)c2)CC1 ZINC000885973725 637338814 /nfs/dbraw/zinc/33/88/14/637338814.db2.gz ZGSZLMXWIMRTFK-XQRVVYSFSA-N 1 3 288.410 3.469 20 30 CGEDHO CCC1(N2CCC2)CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000886710560 637667660 /nfs/dbraw/zinc/66/76/60/637667660.db2.gz AKDMZVYYSRBRCR-UHFFFAOYSA-N 1 3 277.456 3.267 20 30 CGEDHO C[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000925612140 638545146 /nfs/dbraw/zinc/54/51/46/638545146.db2.gz JGTCIEBCNSOJBI-MAZHCROVSA-N 1 3 271.408 3.115 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@H+]1CCCC[C@](C)(CN)C1 ZINC001246026103 804099835 /nfs/dbraw/zinc/09/98/35/804099835.db2.gz ZHYSXSXTEFCQCG-ZWKOTPCHSA-N 1 3 296.499 3.325 20 30 CGEDHO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001246026103 804099843 /nfs/dbraw/zinc/09/98/43/804099843.db2.gz ZHYSXSXTEFCQCG-ZWKOTPCHSA-N 1 3 296.499 3.325 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](N)C1 ZINC001246049591 804105454 /nfs/dbraw/zinc/10/54/54/804105454.db2.gz RTGVLSZLKKMFJI-IKGGRYGDSA-N 1 3 284.488 3.157 20 30 CGEDHO CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](N)C1 ZINC001246049591 804105457 /nfs/dbraw/zinc/10/54/57/804105457.db2.gz RTGVLSZLKKMFJI-IKGGRYGDSA-N 1 3 284.488 3.157 20 30 CGEDHO C=C1C[C@@H]2CC(NC[C@]3(F)CCCC[NH2+]C3)C[C@H](C1)C2 ZINC001246112020 804142844 /nfs/dbraw/zinc/14/28/44/804142844.db2.gz JYTCFNRDSUJKGL-WFVVYAPDSA-N 1 3 280.431 3.193 20 30 CGEDHO CCCCCCCCC[C@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246446417 804336359 /nfs/dbraw/zinc/33/63/59/804336359.db2.gz SRSZXPYVXNOMDW-GJZGRUSLSA-N 1 3 252.446 3.467 20 30 CGEDHO CCCCCCCCC[C@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246446417 804336368 /nfs/dbraw/zinc/33/63/68/804336368.db2.gz SRSZXPYVXNOMDW-GJZGRUSLSA-N 1 3 252.446 3.467 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CCCC[C@@H](CN)C3)C[C@H](C1)C2 ZINC001246585502 804429164 /nfs/dbraw/zinc/42/91/64/804429164.db2.gz XNMUXGLVDBYKSJ-PMRDEQMMSA-N 1 3 262.441 3.182 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CCCC[C@@H](CN)C3)C[C@H](C1)C2 ZINC001246585502 804429166 /nfs/dbraw/zinc/42/91/66/804429166.db2.gz XNMUXGLVDBYKSJ-PMRDEQMMSA-N 1 3 262.441 3.182 20 30 CGEDHO C=C1C[C@@H]2CC(N3CCC[C@]4(CCC[NH2+]4)C3)C[C@H](C1)C2 ZINC001246623392 804455437 /nfs/dbraw/zinc/45/54/37/804455437.db2.gz SRUAHKMLMCUZAW-UJJTZGENSA-N 1 3 274.452 3.339 20 30 CGEDHO C=CC[N@H+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246949885 804615703 /nfs/dbraw/zinc/61/57/03/804615703.db2.gz RHSVIZILWSCSLD-SCAQPMJSSA-N 1 3 262.441 3.480 20 30 CGEDHO C=CC[N@@H+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246949885 804615708 /nfs/dbraw/zinc/61/57/08/804615708.db2.gz RHSVIZILWSCSLD-SCAQPMJSSA-N 1 3 262.441 3.480 20 30 CGEDHO C=CC[N@H+](C1CCCCC1)C1C[C@@H](C)N[C@H](C)C1 ZINC001246949371 804615757 /nfs/dbraw/zinc/61/57/57/804615757.db2.gz OSSMGXQZSXKAPN-ZIAGYGMSSA-N 1 3 250.430 3.336 20 30 CGEDHO C=CC[N@@H+](C1CCCCC1)C1C[C@@H](C)N[C@H](C)C1 ZINC001246949371 804615762 /nfs/dbraw/zinc/61/57/62/804615762.db2.gz OSSMGXQZSXKAPN-ZIAGYGMSSA-N 1 3 250.430 3.336 20 30 CGEDHO C[C@H](CCCC#N)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247006855 804636859 /nfs/dbraw/zinc/63/68/59/804636859.db2.gz VXVCGIYMZNBLSG-MRXNPFEDSA-N 1 3 297.446 3.206 20 30 CGEDHO C=CCC[C@H](C)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001258733570 807579751 /nfs/dbraw/zinc/57/97/51/807579751.db2.gz IXUVWJIONQTWJW-HNNXBMFYSA-N 1 3 250.430 3.291 20 30 CGEDHO C[C@@H](CCCC#N)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001172480345 808343054 /nfs/dbraw/zinc/34/30/54/808343054.db2.gz RZTUYEKKSVZVMO-LBPRGKRZSA-N 1 3 251.418 3.049 20 30 CGEDHO C=CCOc1cccc(C[NH2+]CCCN2CCCCC2)c1 ZINC001199038339 811556918 /nfs/dbraw/zinc/55/69/18/811556918.db2.gz MYKYVSLSZJPBSI-UHFFFAOYSA-N 1 3 288.435 3.217 20 30 CGEDHO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN2CCCCC2)C1 ZINC001199583274 811581532 /nfs/dbraw/zinc/58/15/32/811581532.db2.gz WNRWXOPCGLLLEB-BBWFWOEESA-N 1 3 264.457 3.443 20 30 CGEDHO C#CCCCCCC[NH2+]CC(C)(C)CN1CCCC1 ZINC001205645427 813040359 /nfs/dbraw/zinc/04/03/59/813040359.db2.gz HGHJEEGFKZGIEG-UHFFFAOYSA-N 1 3 264.457 3.282 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001206606291 813372869 /nfs/dbraw/zinc/37/28/69/813372869.db2.gz JJCIKMDNQDDUAR-DLBZAZTESA-N 1 3 262.441 3.350 20 30 CGEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001206606291 813372876 /nfs/dbraw/zinc/37/28/76/813372876.db2.gz JJCIKMDNQDDUAR-DLBZAZTESA-N 1 3 262.441 3.350 20 30 CGEDHO C=C(C)[C@@H]1CC=C(CN2CCCC[C@@H](C[NH3+])C2)CC1 ZINC001206606291 813372879 /nfs/dbraw/zinc/37/28/79/813372879.db2.gz JJCIKMDNQDDUAR-DLBZAZTESA-N 1 3 262.441 3.350 20 30 CGEDHO C#CCN(Cc1cccc(C[NH3+])c1)[C@@H]1CCc2ccccc21 ZINC001235833071 819179502 /nfs/dbraw/zinc/17/95/02/819179502.db2.gz CAEKSEAXQPTFLD-HXUWFJFHSA-N 1 3 290.410 3.268 20 30 CGEDHO CCC#C[C@H](C)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001307975353 933029111 /nfs/dbraw/zinc/02/91/11/933029111.db2.gz JETJKPUVRIGJKU-INIZCTEOSA-N 1 3 272.436 3.372 20 30 CGEDHO C[C@H]1CCCN(CCC2(C#N)CCCCC2)[C@@H]1CC[NH3+] ZINC001576709891 962489810 /nfs/dbraw/zinc/48/98/10/962489810.db2.gz WOQJXEFEQRETBP-JKSUJKDBSA-N 1 3 277.456 3.300 20 30 CGEDHO C[C@H]1CCC[N@H+](CCC2(C#N)CCCCC2)[C@@H]1CCN ZINC001576709891 962489822 /nfs/dbraw/zinc/48/98/22/962489822.db2.gz WOQJXEFEQRETBP-JKSUJKDBSA-N 1 3 277.456 3.300 20 30 CGEDHO C[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@@H]1CCN ZINC001576709891 962489826 /nfs/dbraw/zinc/48/98/26/962489826.db2.gz WOQJXEFEQRETBP-JKSUJKDBSA-N 1 3 277.456 3.300 20 30 CGEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000591582575 346930214 /nfs/dbraw/zinc/93/02/14/346930214.db2.gz MCPQRVOZNAHFMV-SJLPKXTDSA-N 1 3 295.430 3.200 20 30 CGEDHO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000561983383 346659689 /nfs/dbraw/zinc/65/96/89/346659689.db2.gz UWMAKAHVCLESAX-MAUKXSAKSA-N 1 3 288.435 3.023 20 30 CGEDHO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000561983383 346659692 /nfs/dbraw/zinc/65/96/92/346659692.db2.gz UWMAKAHVCLESAX-MAUKXSAKSA-N 1 3 288.435 3.023 20 30 CGEDHO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000459734667 346624932 /nfs/dbraw/zinc/62/49/32/346624932.db2.gz SLTGRGKIYQQQHC-AEFFLSMTSA-N 1 3 299.462 3.426 20 30 CGEDHO C[C@@H](NCC(C)(C)CC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459734667 346624936 /nfs/dbraw/zinc/62/49/36/346624936.db2.gz SLTGRGKIYQQQHC-AEFFLSMTSA-N 1 3 299.462 3.426 20 30 CGEDHO C[C@@H](NCC(C)(C)CC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459734667 346624939 /nfs/dbraw/zinc/62/49/39/346624939.db2.gz SLTGRGKIYQQQHC-AEFFLSMTSA-N 1 3 299.462 3.426 20 30 CGEDHO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000618806699 349156985 /nfs/dbraw/zinc/15/69/85/349156985.db2.gz RPDGAQWBTKIRKL-LJQANCHMSA-N 1 3 295.430 3.010 20 30 CGEDHO C=CCC[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)C1CC1 ZINC000635012901 351630682 /nfs/dbraw/zinc/63/06/82/351630682.db2.gz WQTXZAQJZQNKAL-GJZGRUSLSA-N 1 3 250.430 3.099 20 30 CGEDHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000423289455 236026038 /nfs/dbraw/zinc/02/60/38/236026038.db2.gz AWYRTXQHPGDVBP-KBPBESRZSA-N 1 3 279.387 3.429 20 30 CGEDHO CCCCN1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000037150325 369069986 /nfs/dbraw/zinc/06/99/86/369069986.db2.gz SMHZPKFINXJNGA-OAHLLOKOSA-N 1 3 285.435 3.473 20 30 CGEDHO CC[NH+](CC)Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442658071 373062845 /nfs/dbraw/zinc/06/28/45/373062845.db2.gz WXMKGRHPAKIJEH-ROUUACIJSA-N 1 3 285.435 3.310 20 30 CGEDHO N#C[C@@H]1CC[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000442708435 373066856 /nfs/dbraw/zinc/06/68/56/373066856.db2.gz JAQORBYTVQSYNL-CRAIPNDOSA-N 1 3 283.419 3.064 20 30 CGEDHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442773369 373075613 /nfs/dbraw/zinc/07/56/13/373075613.db2.gz CJDCJZAXHJGYCI-MAUKXSAKSA-N 1 3 285.435 3.309 20 30 CGEDHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442773369 373075620 /nfs/dbraw/zinc/07/56/20/373075620.db2.gz CJDCJZAXHJGYCI-MAUKXSAKSA-N 1 3 285.435 3.309 20 30 CGEDHO C[C@H](c1cccc(C#N)c1)N1CCC(CC[NH+](C)C)CC1 ZINC000186764168 374913646 /nfs/dbraw/zinc/91/36/46/374913646.db2.gz KRWMHANCGCMFGI-OAHLLOKOSA-N 1 3 285.435 3.283 20 30 CGEDHO C=C[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499221580 375630273 /nfs/dbraw/zinc/63/02/73/375630273.db2.gz ZWWOMEZGABWLAD-LEUOFYLZSA-N 1 3 270.420 3.346 20 30 CGEDHO C=C[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221580 375630280 /nfs/dbraw/zinc/63/02/80/375630280.db2.gz ZWWOMEZGABWLAD-LEUOFYLZSA-N 1 3 270.420 3.346 20 30 CGEDHO CC(C)(C)N1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336559762 375832115 /nfs/dbraw/zinc/83/21/15/375832115.db2.gz VXKOZPDSDLBMAV-SFHVURJKSA-N 1 3 297.446 3.398 20 30 CGEDHO C=CCC[C@@H]([NH2+]C[C@@H]1CCN(CCC)C1)C1CC1 ZINC000245905592 376931526 /nfs/dbraw/zinc/93/15/26/376931526.db2.gz BZHIUFZFDYGUPX-GOEBONIOSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CCCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000562697631 377349640 /nfs/dbraw/zinc/34/96/40/377349640.db2.gz ACMYDTVLRBSXGG-INIZCTEOSA-N 1 3 250.430 3.293 20 30 CGEDHO C=CCCCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000570015908 377532606 /nfs/dbraw/zinc/53/26/06/377532606.db2.gz CWLQYPCYPRAGSW-INIZCTEOSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCCCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000570015908 377532616 /nfs/dbraw/zinc/53/26/16/377532616.db2.gz CWLQYPCYPRAGSW-INIZCTEOSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCCCC[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000570015908 377532623 /nfs/dbraw/zinc/53/26/23/377532623.db2.gz CWLQYPCYPRAGSW-INIZCTEOSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CCCCC[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000570015908 377532633 /nfs/dbraw/zinc/53/26/33/377532633.db2.gz CWLQYPCYPRAGSW-INIZCTEOSA-N 1 3 250.430 3.006 20 30 CGEDHO C=CC[C@H]1[N@@H+](C[C@H]2CCCNC2)CCCC1(C)C ZINC000261875532 377863251 /nfs/dbraw/zinc/86/32/51/377863251.db2.gz VQIWYFJHGLWPRC-LSDHHAIUSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CC[C@H]1[N@H+](C[C@H]2CCCNC2)CCCC1(C)C ZINC000261875532 377863256 /nfs/dbraw/zinc/86/32/56/377863256.db2.gz VQIWYFJHGLWPRC-LSDHHAIUSA-N 1 3 250.430 3.053 20 30 CGEDHO C=CCCC[N@H+]1CCC[C@@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000344587154 393045960 /nfs/dbraw/zinc/04/59/60/393045960.db2.gz RZYQJXQCQARQIN-OWCLPIDISA-N 1 3 250.430 3.290 20 30 CGEDHO C=CCCC[N@@H+]1CCC[C@@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000344587154 393045965 /nfs/dbraw/zinc/04/59/65/393045965.db2.gz RZYQJXQCQARQIN-OWCLPIDISA-N 1 3 250.430 3.290 20 30 CGEDHO Cc1cc(C[NH2+]CC2(CN(C)C)CCCC2)ccc1C#N ZINC000444004109 393783332 /nfs/dbraw/zinc/78/33/32/393783332.db2.gz KOUBOTWQGQRCJP-UHFFFAOYSA-N 1 3 285.435 3.078 20 30 CGEDHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447540003 393864972 /nfs/dbraw/zinc/86/49/72/393864972.db2.gz BPGAXYOSUJHJIM-XKQJLSEDSA-N 1 3 271.408 3.082 20 30 CGEDHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447540003 393864973 /nfs/dbraw/zinc/86/49/73/393864973.db2.gz BPGAXYOSUJHJIM-XKQJLSEDSA-N 1 3 271.408 3.082 20 30 CGEDHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000052205645 278348042 /nfs/dbraw/zinc/34/80/42/278348042.db2.gz LOZMUVUEGLFARY-PBHICJAKSA-N 1 3 271.408 3.083 20 30 CGEDHO C=CC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000582560477 329111637 /nfs/dbraw/zinc/11/16/37/329111637.db2.gz KQBDMUUBJZJPFC-CQSZACIVSA-N 1 3 250.430 3.338 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2ccc3cc[nH]c3c2)CC1 ZINC000527656957 330273400 /nfs/dbraw/zinc/27/34/00/330273400.db2.gz NGSXZJCKHUIKED-UHFFFAOYSA-N 1 3 283.419 3.298 20 30 CGEDHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442637386 330777877 /nfs/dbraw/zinc/77/78/77/330777877.db2.gz OUUPDSSCAKGABH-YJBOKZPZSA-N 1 3 285.435 3.310 20 30 CGEDHO C[C@@H]1CCC[N@H+](CCCCNCc2cc(C#N)cs2)C1 ZINC000177685745 335378933 /nfs/dbraw/zinc/37/89/33/335378933.db2.gz QJZOYLZXHMYABR-CQSZACIVSA-N 1 3 291.464 3.221 20 30 CGEDHO C[C@@H]1CCC[N@@H+](CCCCNCc2cc(C#N)cs2)C1 ZINC000177685745 335378934 /nfs/dbraw/zinc/37/89/34/335378934.db2.gz QJZOYLZXHMYABR-CQSZACIVSA-N 1 3 291.464 3.221 20 30 CGEDHO C=CCOc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1Cl ZINC000581070934 336003859 /nfs/dbraw/zinc/00/38/59/336003859.db2.gz BNVIAZKPNZHXPA-NEPJUHHUSA-N 1 3 282.815 3.120 20 30 CGEDHO C=C(C)C[NH+]1CCC(NCc2ccc(C)cc2)CC1 ZINC000106246139 526604272 /nfs/dbraw/zinc/60/42/72/526604272.db2.gz BNGUTQNGURLURO-UHFFFAOYSA-N 1 3 258.409 3.125 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000925305330 620394678 /nfs/dbraw/zinc/39/46/78/620394678.db2.gz BRBVQRLBFHNKFI-ZDUSSCGKSA-N 1 3 265.445 3.167 20 30 CGEDHO C[C@@H](CC(C)(C)C#N)NC1CC[NH+](C(C)(C)C)CC1 ZINC000925305330 620394680 /nfs/dbraw/zinc/39/46/80/620394680.db2.gz BRBVQRLBFHNKFI-ZDUSSCGKSA-N 1 3 265.445 3.167 20 30 CGEDHO CCCCCCCC[C@H](CO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897970556 620450956 /nfs/dbraw/zinc/45/09/56/620450956.db2.gz SNDSLGMRCSDMSY-RCCFBDPRSA-N 1 3 296.499 3.314 20 30 CGEDHO CCCCCCCC[C@H](CO)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897970556 620450958 /nfs/dbraw/zinc/45/09/58/620450958.db2.gz SNDSLGMRCSDMSY-RCCFBDPRSA-N 1 3 296.499 3.314 20 30 CGEDHO C=CCN(Cc1ccc(Cl)s1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303649 621902268 /nfs/dbraw/zinc/90/22/68/621902268.db2.gz BRVRGPYPUXEVHA-PHIMTYICSA-N 1 3 270.829 3.127 20 30 CGEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000817957534 632252125 /nfs/dbraw/zinc/25/21/25/632252125.db2.gz CQGJNTNUVZWBNF-XJKSGUPXSA-N 1 3 296.842 3.452 20 30 CGEDHO C=CC[C@@H](C)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000878668509 635598635 /nfs/dbraw/zinc/59/86/35/635598635.db2.gz XZYQVJFCIKFGOI-OAHLLOKOSA-N 1 3 258.409 3.205 20 30 CGEDHO C=C(CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925636215 638551494 /nfs/dbraw/zinc/55/14/94/638551494.db2.gz RVBHGPASFCHTSU-JKSUJKDBSA-N 1 3 258.409 3.195 20 30 CGEDHO CCC1([NH+](C)C)CCN(CC2CCC(C#N)CC2)CC1 ZINC000931471554 639156938 /nfs/dbraw/zinc/15/69/38/639156938.db2.gz NVMJQZQUMADCAO-UHFFFAOYSA-N 1 3 277.456 3.123 20 30 CGEDHO C=CCCCCCC[C@@H](O)CNC1CC[NH+](CCC)CC1 ZINC001253248642 806195285 /nfs/dbraw/zinc/19/52/85/806195285.db2.gz YYNXPXGHVLIMIX-GOSISDBHSA-N 1 3 296.499 3.338 20 30 CGEDHO C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716713292 800179401 /nfs/dbraw/zinc/17/94/01/800179401.db2.gz NNDHVLMXBVMMSC-BZSNNMDCSA-N 1 3 270.420 3.205 20 30 CGEDHO CCCCCCCCCCCCNC[C@@]1(O)CC[NH2+]C1 ZINC001245990814 804094655 /nfs/dbraw/zinc/09/46/55/804094655.db2.gz SSSWBPSZAILLSA-KRWDZBQOSA-N 1 3 284.488 3.221 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN(C)C[C@@H]1CC[NH2+]C1 ZINC001246042670 804102192 /nfs/dbraw/zinc/10/21/92/804102192.db2.gz CYEBBLVQJQOXNF-QZTJIDSGSA-N 1 3 298.515 3.419 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN(C)C[C@H]1CC[NH2+]C1 ZINC001246042674 804102411 /nfs/dbraw/zinc/10/24/11/804102411.db2.gz CYEBBLVQJQOXNF-ZWKOTPCHSA-N 1 3 298.515 3.419 20 30 CGEDHO CCCCCCCC[C@H](O)CN(CC)C[C@@H]1CC[NH2+]C1 ZINC001246062593 804105314 /nfs/dbraw/zinc/10/53/14/804105314.db2.gz MNWMUXMMEHETFX-SJORKVTESA-N 1 3 284.488 3.029 20 30 CGEDHO C=C1C[C@@H]2CC(NC[C@H]3CC[C@H](C)C[NH2+]3)C[C@H](C1)C2 ZINC001246109530 804141597 /nfs/dbraw/zinc/14/15/97/804141597.db2.gz XWCUMKNNAJHXLE-UOKSAXCWSA-N 1 3 262.441 3.099 20 30 CGEDHO CCCCCCCC[C@H](CC)[NH2+][C@H]1CC12CNC2 ZINC001246444317 804334324 /nfs/dbraw/zinc/33/43/24/804334324.db2.gz KFCHLNOTHVEKCI-GJZGRUSLSA-N 1 3 252.446 3.467 20 30 CGEDHO CCCC[C@@H]1C[C@@H]([NH2+]CCCCCCS)CCN1 ZINC001246464880 804346546 /nfs/dbraw/zinc/34/65/46/804346546.db2.gz HAVGAICHDZQEIP-CABCVRRESA-N 1 3 272.502 3.377 20 30 CGEDHO C=CCC[C@H](C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246469950 804347233 /nfs/dbraw/zinc/34/72/33/804347233.db2.gz XUTFBPXDFGFUBB-INIZCTEOSA-N 1 3 272.436 3.296 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H](C)[C@H](CN)C3)C[C@H](C1)C2 ZINC001246551994 804402273 /nfs/dbraw/zinc/40/22/73/804402273.db2.gz OBJQYUWGQSHGTM-VDWCLKJHSA-N 1 3 262.441 3.038 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](C)[C@H](CN)C3)C[C@H](C1)C2 ZINC001246551994 804402277 /nfs/dbraw/zinc/40/22/77/804402277.db2.gz OBJQYUWGQSHGTM-VDWCLKJHSA-N 1 3 262.441 3.038 20 30 CGEDHO N#Cc1ccc(C2CCC(N3CC[C@@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246629030 804460567 /nfs/dbraw/zinc/46/05/67/804460567.db2.gz DGVCTPKMCUUDTN-WZOJCFFYSA-N 1 3 295.430 3.021 20 30 CGEDHO C[C@H]1CC(NCCCC#N)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168021537 807301556 /nfs/dbraw/zinc/30/15/56/807301556.db2.gz PUNWMOXNXCGFKC-HOTGVXAUSA-N 1 3 285.435 3.321 20 30 CGEDHO CCC(CC)[N@@H+]1CC[C@H](N[C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171194275 808006429 /nfs/dbraw/zinc/00/64/29/808006429.db2.gz IUIPCHDPHGOIPP-YJBOKZPZSA-N 1 3 299.462 3.342 20 30 CGEDHO CCC(CC)[N@H+]1CC[C@H](N[C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171194275 808006435 /nfs/dbraw/zinc/00/64/35/808006435.db2.gz IUIPCHDPHGOIPP-YJBOKZPZSA-N 1 3 299.462 3.342 20 30 CGEDHO CCCCN1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001203764997 812457855 /nfs/dbraw/zinc/45/78/55/812457855.db2.gz QNXWYBDMLVNPFZ-UHFFFAOYSA-N 1 3 285.435 3.255 20 30 CGEDHO CCCCN1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001203764997 812457859 /nfs/dbraw/zinc/45/78/59/812457859.db2.gz QNXWYBDMLVNPFZ-UHFFFAOYSA-N 1 3 285.435 3.255 20 30 CGEDHO C=CCCCCCCCN1CCC[C@H](C[NH2+]C)C1 ZINC001205009449 812823517 /nfs/dbraw/zinc/82/35/17/812823517.db2.gz STBHOMSTFQHYJU-MRXNPFEDSA-N 1 3 252.446 3.444 20 30 CGEDHO CCc1cc(C#N)ccc1CN(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206606834 813372663 /nfs/dbraw/zinc/37/26/63/813372663.db2.gz UIGJMTBPQUTNHC-IBGZPJMESA-N 1 3 299.462 3.473 20 30 CGEDHO C=CCCCCC[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001209428514 814030141 /nfs/dbraw/zinc/03/01/41/814030141.db2.gz IZOWFCAHIOCYKO-SFHVURJKSA-N 1 3 294.483 3.308 20 30 CGEDHO C=CCCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235402861 819085441 /nfs/dbraw/zinc/08/54/41/819085441.db2.gz KBIWSMOLWKREHB-CVEARBPZSA-N 1 3 268.420 3.146 20 30 CGEDHO C=CCCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235402861 819085445 /nfs/dbraw/zinc/08/54/45/819085445.db2.gz KBIWSMOLWKREHB-CVEARBPZSA-N 1 3 268.420 3.146 20 30 CGEDHO C=CCCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235402861 819085451 /nfs/dbraw/zinc/08/54/51/819085451.db2.gz KBIWSMOLWKREHB-CVEARBPZSA-N 1 3 268.420 3.146 20 30 CGEDHO C[C@H]1CCCN(CCC2(C#N)CCCCC2)[C@H]1CC[NH3+] ZINC001576709886 962490554 /nfs/dbraw/zinc/49/05/54/962490554.db2.gz WOQJXEFEQRETBP-HOTGVXAUSA-N 1 3 277.456 3.300 20 30 CGEDHO C[C@H]1CCC[N@H+](CCC2(C#N)CCCCC2)[C@H]1CCN ZINC001576709886 962490574 /nfs/dbraw/zinc/49/05/74/962490574.db2.gz WOQJXEFEQRETBP-HOTGVXAUSA-N 1 3 277.456 3.300 20 30 CGEDHO C[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@H]1CCN ZINC001576709886 962490584 /nfs/dbraw/zinc/49/05/84/962490584.db2.gz WOQJXEFEQRETBP-HOTGVXAUSA-N 1 3 277.456 3.300 20 30 CGEDHO CCN(C[C@@H]1CCCC[NH2+]C1)[C@@H](C)c1ccc(C#N)cc1 ZINC001577707501 962560501 /nfs/dbraw/zinc/56/05/01/962560501.db2.gz MNUMCJHOGXZNAQ-DOTOQJQBSA-N 1 3 285.435 3.331 20 30 CGEDHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000593324544 347062901 /nfs/dbraw/zinc/06/29/01/347062901.db2.gz WXDJKUGUJDNAIE-AWEZNQCLSA-N 1 3 279.387 3.128 20 30 CGEDHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071798 347713944 /nfs/dbraw/zinc/71/39/44/347713944.db2.gz TXKJMLASHPEZPS-QFBILLFUSA-N 1 3 297.446 3.257 20 30 CGEDHO N#CC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000602563035 347982751 /nfs/dbraw/zinc/98/27/51/347982751.db2.gz CZMDUNIEDFQIJM-UHFFFAOYSA-N 1 3 289.467 3.455 20 30 CGEDHO C[C@@H](CCC#N)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000602563125 347982798 /nfs/dbraw/zinc/98/27/98/347982798.db2.gz FJKFBTJIVXHUHE-HNNXBMFYSA-N 1 3 277.456 3.313 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CC1 ZINC000624121907 349980669 /nfs/dbraw/zinc/98/06/69/349980669.db2.gz FWHWZKGWCKOXLR-HOCLYGCPSA-N 1 3 250.430 3.053 20 30 CGEDHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1cccc(C#N)c1 ZINC000611388195 348443738 /nfs/dbraw/zinc/44/37/38/348443738.db2.gz YKXFZASKKTVSAS-PBHICJAKSA-N 1 3 271.408 3.083 20 30 CGEDHO C=CCC[C@@H]([NH2+]Cc1cccc2c1CCNC2)C1CC1 ZINC000635006031 351623402 /nfs/dbraw/zinc/62/34/02/351623402.db2.gz ARCHYSGQFNZTGR-GOSISDBHSA-N 1 3 270.420 3.167 20 30 CGEDHO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C1CC1 ZINC000121554326 370872872 /nfs/dbraw/zinc/87/28/72/370872872.db2.gz NIQOKNVPNJYUGS-OAGGEKHMSA-N 1 3 250.430 3.194 20 30 CGEDHO C=CCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000574247973 335003836 /nfs/dbraw/zinc/00/38/36/335003836.db2.gz YBJVYCYULBOVDB-RDJZCZTQSA-N 1 3 262.441 3.291 20 30 CGEDHO C=CCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000574247973 335003838 /nfs/dbraw/zinc/00/38/38/335003838.db2.gz YBJVYCYULBOVDB-RDJZCZTQSA-N 1 3 262.441 3.291 20 30 CGEDHO CN(CC[C@H]1CCCC[N@@H+]1C)CC(C)(C)CCC#N ZINC000093660246 370152474 /nfs/dbraw/zinc/15/24/74/370152474.db2.gz SDCWNVYRABOPDR-OAHLLOKOSA-N 1 3 265.445 3.123 20 30 CGEDHO CN(CC[C@H]1CCCC[N@H+]1C)CC(C)(C)CCC#N ZINC000093660246 370152478 /nfs/dbraw/zinc/15/24/78/370152478.db2.gz SDCWNVYRABOPDR-OAHLLOKOSA-N 1 3 265.445 3.123 20 30 CGEDHO CC[NH+](CC)Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442658066 373062932 /nfs/dbraw/zinc/06/29/32/373062932.db2.gz WXMKGRHPAKIJEH-MSOLQXFVSA-N 1 3 285.435 3.310 20 30 CGEDHO C[C@H](CCN[C@@H]1CC[C@@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000442767069 373075922 /nfs/dbraw/zinc/07/59/22/373075922.db2.gz LZBGCHAMSNZNBK-KBAYOESNSA-N 1 3 285.435 3.179 20 30 CGEDHO C[C@H](CCN[C@@H]1CC[C@@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000442767069 373075933 /nfs/dbraw/zinc/07/59/33/373075933.db2.gz LZBGCHAMSNZNBK-KBAYOESNSA-N 1 3 285.435 3.179 20 30 CGEDHO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000180950293 374061883 /nfs/dbraw/zinc/06/18/83/374061883.db2.gz ZRFYSOFTVNGEHV-HUUCEWRRSA-N 1 3 276.424 3.242 20 30 CGEDHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185821380 374744159 /nfs/dbraw/zinc/74/41/59/374744159.db2.gz BOUUWYXAQLWJJJ-YJBOKZPZSA-N 1 3 285.435 3.310 20 30 CGEDHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185821380 374744170 /nfs/dbraw/zinc/74/41/70/374744170.db2.gz BOUUWYXAQLWJJJ-YJBOKZPZSA-N 1 3 285.435 3.310 20 30 CGEDHO C=C(C)C[NH+]1CCC(N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000153002239 542109835 /nfs/dbraw/zinc/10/98/35/542109835.db2.gz ODGQYKQIVNFSFU-GOSISDBHSA-N 1 3 288.410 3.443 20 30 CGEDHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000245895333 376927406 /nfs/dbraw/zinc/92/74/06/376927406.db2.gz MYUFMWTXMDHLHQ-NVXWUHKLSA-N 1 3 285.435 3.329 20 30 CGEDHO C[N@@H+](Cc1ccccc1)CC1CCN(CCCC#N)CC1 ZINC000264149925 377958557 /nfs/dbraw/zinc/95/85/57/377958557.db2.gz ZWAQTFVXTCEWOA-UHFFFAOYSA-N 1 3 285.435 3.134 20 30 CGEDHO C[N@H+](Cc1ccccc1)CC1CCN(CCCC#N)CC1 ZINC000264149925 377958562 /nfs/dbraw/zinc/95/85/62/377958562.db2.gz ZWAQTFVXTCEWOA-UHFFFAOYSA-N 1 3 285.435 3.134 20 30 CGEDHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCC1)c1ccc(C#N)cc1 ZINC000278339072 379354852 /nfs/dbraw/zinc/35/48/52/379354852.db2.gz XFGPHKNCAQSXDB-QAPCUYQASA-N 1 3 285.435 3.331 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCN1CCCC1 ZINC000337281062 392879309 /nfs/dbraw/zinc/87/93/09/392879309.db2.gz VXGMHMMDRVHXNQ-OAHLLOKOSA-N 1 3 271.408 3.037 20 30 CGEDHO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCN1CCCC1 ZINC000337281062 392879314 /nfs/dbraw/zinc/87/93/14/392879314.db2.gz VXGMHMMDRVHXNQ-OAHLLOKOSA-N 1 3 271.408 3.037 20 30 CGEDHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249366 393315717 /nfs/dbraw/zinc/31/57/17/393315717.db2.gz MLJMUVFINADHJX-MAUKXSAKSA-N 1 3 283.419 3.083 20 30 CGEDHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249366 393315725 /nfs/dbraw/zinc/31/57/25/393315725.db2.gz MLJMUVFINADHJX-MAUKXSAKSA-N 1 3 283.419 3.083 20 30 CGEDHO Cc1cc(CN2CCC(CCC[NH+](C)C)CC2)ccc1C#N ZINC000488159828 393464614 /nfs/dbraw/zinc/46/46/14/393464614.db2.gz IIVJXJDZQIDUFD-UHFFFAOYSA-N 1 3 299.462 3.421 20 30 CGEDHO CCCCN1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000037319128 173119029 /nfs/dbraw/zinc/11/90/29/173119029.db2.gz UCXXNEQDEASMHO-OAHLLOKOSA-N 1 3 285.435 3.473 20 30 CGEDHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cccc(C#N)c2)C1 ZINC000067691941 175785037 /nfs/dbraw/zinc/78/50/37/175785037.db2.gz AEXUVLSUPYAVFB-IRXDYDNUSA-N 1 3 299.462 3.406 20 30 CGEDHO C=CCC[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254745 419093360 /nfs/dbraw/zinc/09/33/60/419093360.db2.gz YRFKIAOWEDRUHW-IAOVAPTHSA-N 1 3 276.399 3.216 20 30 CGEDHO C#Cc1ccc(C[NH2+]C2CCN(CCCC)CC2)cc1 ZINC000289350910 263109314 /nfs/dbraw/zinc/10/93/14/263109314.db2.gz XKNYQIQTYQZPRG-UHFFFAOYSA-N 1 3 270.420 3.022 20 30 CGEDHO C=CC[C@H](C)[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178035909 329191801 /nfs/dbraw/zinc/19/18/01/329191801.db2.gz FOIFXXALMFQBNN-HZMVEIRTSA-N 1 3 282.472 3.066 20 30 CGEDHO C=CCC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000422998860 330163415 /nfs/dbraw/zinc/16/34/15/330163415.db2.gz RIQHVXGMZHYZSO-IAGOWNOFSA-N 1 3 258.409 3.426 20 30 CGEDHO C=CCC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000422998859 330163546 /nfs/dbraw/zinc/16/35/46/330163546.db2.gz RIQHVXGMZHYZSO-DLBZAZTESA-N 1 3 258.409 3.426 20 30 CGEDHO C[C@H]([NH3+])C[C@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000423126880 330171638 /nfs/dbraw/zinc/17/16/38/330171638.db2.gz JFNYWGVSPIFKIW-OFQRWUPVSA-N 1 3 259.397 3.137 20 30 CGEDHO N#CC[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000449446131 330926209 /nfs/dbraw/zinc/92/62/09/330926209.db2.gz NWLKMLNPWZIVBP-RDJZCZTQSA-N 1 3 289.467 3.455 20 30 CGEDHO CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H](C#N)C1)CC(C)C ZINC000185773155 333148570 /nfs/dbraw/zinc/14/85/70/333148570.db2.gz UPUSYXHQZKSFIW-BBWFWOEESA-N 1 3 279.472 3.415 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC[C@H]1CCCN1C ZINC000425530426 534078170 /nfs/dbraw/zinc/07/81/70/534078170.db2.gz FLZDGMBQFDGRSW-WMLDXEAASA-N 1 3 271.408 3.035 20 30 CGEDHO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000425530426 534078174 /nfs/dbraw/zinc/07/81/74/534078174.db2.gz FLZDGMBQFDGRSW-WMLDXEAASA-N 1 3 271.408 3.035 20 30 CGEDHO CC(C)(CCC#N)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925670843 619122851 /nfs/dbraw/zinc/12/28/51/619122851.db2.gz AAMLJNKYEGUGGG-JKSUJKDBSA-N 1 3 277.456 3.074 20 30 CGEDHO N#Cc1ccc(C2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903823773 621816550 /nfs/dbraw/zinc/81/65/50/621816550.db2.gz JPROSTXKHCILFA-QGZVFWFLSA-N 1 3 297.446 3.127 20 30 CGEDHO C#C[C@@H](NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C(C)C ZINC000824364196 633236214 /nfs/dbraw/zinc/23/62/14/633236214.db2.gz WAJPAJNLAWEADZ-YLJYHZDGSA-N 1 3 298.474 3.329 20 30 CGEDHO C=CCC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)[C@H]1CCCO1 ZINC000883185913 636571716 /nfs/dbraw/zinc/57/17/16/636571716.db2.gz GRCRMGSDWQHVDP-FGTMMUONSA-N 1 3 294.483 3.210 20 30 CGEDHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000850172740 636973066 /nfs/dbraw/zinc/97/30/66/636973066.db2.gz DEIZCQZLPIMLAJ-ROUUACIJSA-N 1 3 297.446 3.204 20 30 CGEDHO CCCCCCCCCCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253405338 806215614 /nfs/dbraw/zinc/21/56/14/806215614.db2.gz WLAGABWORATHCH-INIZCTEOSA-N 1 3 286.504 3.466 20 30 CGEDHO CCCCCCCCCC[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253405338 806215619 /nfs/dbraw/zinc/21/56/19/806215619.db2.gz WLAGABWORATHCH-INIZCTEOSA-N 1 3 286.504 3.466 20 30 CGEDHO C[N@H+]([C@H]1CC[C@@H](C#N)C1)C1CCN(C2CCCCC2)CC1 ZINC001254677237 806485352 /nfs/dbraw/zinc/48/53/52/806485352.db2.gz RKSBJUAQXQZUFS-QAPCUYQASA-N 1 3 289.467 3.408 20 30 CGEDHO C[N@@H+]([C@H]1CC[C@@H](C#N)C1)C1CCN(C2CCCCC2)CC1 ZINC001254677237 806485357 /nfs/dbraw/zinc/48/53/57/806485357.db2.gz RKSBJUAQXQZUFS-QAPCUYQASA-N 1 3 289.467 3.408 20 30 CGEDHO CCCCCCCCCC[C@H](O)CNC[C@H]1CCC[NH2+]C1 ZINC001245983744 804092801 /nfs/dbraw/zinc/09/28/01/804092801.db2.gz UOADIWSDUZBXCD-ROUUACIJSA-N 1 3 298.515 3.467 20 30 CGEDHO CCCCCCCCCC[C@@H](O)CN[C@@H](CC)C[NH3+] ZINC001246000876 804097791 /nfs/dbraw/zinc/09/77/91/804097791.db2.gz MLEMUBBVCOGKRC-JKSUJKDBSA-N 1 3 272.477 3.205 20 30 CGEDHO CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](N)[C@H]1C ZINC001246019018 804100444 /nfs/dbraw/zinc/10/04/44/804100444.db2.gz HEFXJZBPMXHLKX-BRWVUGGUSA-N 1 3 284.488 3.300 20 30 CGEDHO CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](N)[C@H]1C ZINC001246019018 804100448 /nfs/dbraw/zinc/10/04/48/804100448.db2.gz HEFXJZBPMXHLKX-BRWVUGGUSA-N 1 3 284.488 3.300 20 30 CGEDHO CCCCCCC[C@H](CC)[NH2+]C[C@]1(O)CCCCNC1 ZINC001246096909 804129548 /nfs/dbraw/zinc/12/95/48/804129548.db2.gz MEGPEBNYOHZBTH-IRXDYDNUSA-N 1 3 284.488 3.220 20 30 CGEDHO C#CC1([NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)CCCCC1 ZINC001246461077 804343101 /nfs/dbraw/zinc/34/31/01/804343101.db2.gz BYIZZIAUCLSUGT-OALUTQOASA-N 1 3 296.458 3.275 20 30 CGEDHO C[C@H]1C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1CN ZINC001246539219 804389143 /nfs/dbraw/zinc/38/91/43/804389143.db2.gz FPBWZRUFTGLRAE-YUCBAPQESA-N 1 3 297.446 3.111 20 30 CGEDHO C[C@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1CN ZINC001246539219 804389148 /nfs/dbraw/zinc/38/91/48/804389148.db2.gz FPBWZRUFTGLRAE-YUCBAPQESA-N 1 3 297.446 3.111 20 30 CGEDHO C=C1C[C@@H]2CC([N@H+]3C[C@H](CN)CC[C@H]3C)C[C@H](C1)C2 ZINC001246592805 804435729 /nfs/dbraw/zinc/43/57/29/804435729.db2.gz QREVKCVDTTVVFJ-VPEURPPWSA-N 1 3 262.441 3.181 20 30 CGEDHO C=C1C[C@@H]2CC([N@@H+]3C[C@H](CN)CC[C@H]3C)C[C@H](C1)C2 ZINC001246592805 804435731 /nfs/dbraw/zinc/43/57/31/804435731.db2.gz QREVKCVDTTVVFJ-VPEURPPWSA-N 1 3 262.441 3.181 20 30 CGEDHO N#C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167965655 807288731 /nfs/dbraw/zinc/28/87/31/807288731.db2.gz JLIHUPTVIMJYKI-MHDJUUOISA-N 1 3 287.451 3.064 20 30 CGEDHO CCCCCCCN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001201798701 811966147 /nfs/dbraw/zinc/96/61/47/811966147.db2.gz ZYGOBZBXPBRZPT-UHFFFAOYSA-N 1 3 275.440 3.482 20 30 CGEDHO CCCCN1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001203906370 812488404 /nfs/dbraw/zinc/48/84/04/812488404.db2.gz OVSXRKWCGLJVOC-UHFFFAOYSA-N 1 3 285.435 3.255 20 30 CGEDHO CCCCN1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001203906370 812488408 /nfs/dbraw/zinc/48/84/08/812488408.db2.gz OVSXRKWCGLJVOC-UHFFFAOYSA-N 1 3 285.435 3.255 20 30 CGEDHO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)CN(C)C)ccc1C#N ZINC001206801473 813439961 /nfs/dbraw/zinc/43/99/61/813439961.db2.gz WNUHMTUCZDLMOO-QFBILLFUSA-N 1 3 299.462 3.419 20 30 CGEDHO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CN(C)C)ccc1C#N ZINC001206801473 813439964 /nfs/dbraw/zinc/43/99/64/813439964.db2.gz WNUHMTUCZDLMOO-QFBILLFUSA-N 1 3 299.462 3.419 20 30 CGEDHO C=CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001209440799 814041374 /nfs/dbraw/zinc/04/13/74/814041374.db2.gz OOJXLQYNBCWRCG-CVEARBPZSA-N 1 3 250.430 3.291 20 30 CGEDHO C=CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001209440799 814041381 /nfs/dbraw/zinc/04/13/81/814041381.db2.gz OOJXLQYNBCWRCG-CVEARBPZSA-N 1 3 250.430 3.291 20 30 CGEDHO C=CCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235361950 819078448 /nfs/dbraw/zinc/07/84/48/819078448.db2.gz GHODINQNMZATQV-MOPGFXCFSA-N 1 3 284.447 3.206 20 30 CGEDHO C=CCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235361950 819078456 /nfs/dbraw/zinc/07/84/56/819078456.db2.gz GHODINQNMZATQV-MOPGFXCFSA-N 1 3 284.447 3.206 20 30 CGEDHO