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](COC)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000716841984 793009745 /nfs/dbraw/zinc/00/97/45/793009745.db2.gz YRSXQNPSRYGFKE-KGLIPLIRSA-N 1 0 312.207 2.110 10 30 DEEERO CC#CC[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000717726500 799429125 /nfs/dbraw/zinc/42/91/25/799429125.db2.gz BVINBMXLJZCBJL-FZKCQIBNSA-N 1 0 322.449 2.138 10 30 DEEERO C=CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709290845 1086682122 /nfs/dbraw/zinc/68/21/22/1086682122.db2.gz YJCUVFQBVWHMIQ-XQLPTFJDSA-N 1 0 310.438 2.301 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000081808431 192327061 /nfs/dbraw/zinc/32/70/61/192327061.db2.gz NENQLQKORZKDDH-UHFFFAOYSA-N 1 0 300.406 2.034 10 30 DEEERO CC[C@H](C)C[C@H](C)NS(=O)(=O)c1cccc(C#CC[NH3+])c1 ZINC000088310900 185245214 /nfs/dbraw/zinc/24/52/14/185245214.db2.gz MVSNYNMQSDSZDY-KBPBESRZSA-N 1 0 308.447 2.100 10 30 DEEERO Cc1c(C#CC[NH3+])cccc1C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000088444061 185250888 /nfs/dbraw/zinc/25/08/88/185250888.db2.gz LYEQNZODNLFGRF-STQMWFEESA-N 1 0 302.443 2.271 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000625525065 365814524 /nfs/dbraw/zinc/81/45/24/365814524.db2.gz QGYXDODJNDCWJO-LSDHHAIUSA-N 1 0 323.481 2.036 10 30 DEEERO CNC(=O)[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000183658172 539663619 /nfs/dbraw/zinc/66/36/19/539663619.db2.gz XCHFQFZOPVNEGG-CQSZACIVSA-N 1 0 312.335 2.417 10 30 DEEERO COc1ccc(C#CCO)c(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1 ZINC000133773254 186010771 /nfs/dbraw/zinc/01/07/71/186010771.db2.gz PSPKEZOVBMZFRM-KBPBESRZSA-N 1 0 305.443 2.365 10 30 DEEERO Cc1ccc(F)c(C(=O)NCc2sccc2C#CC[NH3+])c1 ZINC000148654321 186045717 /nfs/dbraw/zinc/04/57/17/186045717.db2.gz BSASTZDZRWVRJP-UHFFFAOYSA-N 1 0 302.374 2.436 10 30 DEEERO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000617010216 362994407 /nfs/dbraw/zinc/99/44/07/362994407.db2.gz KZEUBNFVKYIJFI-ZDUSSCGKSA-N 1 0 303.406 2.249 10 30 DEEERO N#Cc1ccc(NC(=O)CCN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000172800656 198150645 /nfs/dbraw/zinc/15/06/45/198150645.db2.gz XVUIRMPTCBOIKY-QGZVFWFLSA-N 1 0 312.417 2.057 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173652860 198236279 /nfs/dbraw/zinc/23/62/79/198236279.db2.gz BUXCLJAADFBLNG-CZUORRHYSA-N 1 0 323.400 2.277 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@H](C)[C@H](C(=O)OCC)CC[C@@H]1C ZINC000595559397 358484315 /nfs/dbraw/zinc/48/43/15/358484315.db2.gz OCXYQONGDULIAW-ARFHVFGLSA-N 1 0 324.465 2.463 10 30 DEEERO CC[C@H]1CN(CC#Cc2cccc(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000246382907 356313221 /nfs/dbraw/zinc/31/32/21/356313221.db2.gz IKQYGYWOTUZNQE-YJBOKZPZSA-N 1 0 320.864 2.469 10 30 DEEERO C[N@H+](CC1CC1)C[C@H]1CN(c2cccc(F)c2C#N)CCO1 ZINC000328655608 356466973 /nfs/dbraw/zinc/46/69/73/356466973.db2.gz YNTZSXRQURLSPC-AWEZNQCLSA-N 1 0 303.381 2.244 10 30 DEEERO C=C[C@@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000397890203 356719158 /nfs/dbraw/zinc/71/91/58/356719158.db2.gz FWEKQIMGAHXLKM-AEFFLSMTSA-N 1 0 302.418 2.358 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000593094843 358008280 /nfs/dbraw/zinc/00/82/80/358008280.db2.gz IOAJSLSTFDBLCM-KGLIPLIRSA-N 1 0 315.417 2.049 10 30 DEEERO CN(CCOCc1ccccc1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594446522 358273953 /nfs/dbraw/zinc/27/39/53/358273953.db2.gz UVFMUCCIFBRKNS-INIZCTEOSA-N 1 0 303.406 2.073 10 30 DEEERO C=CCCCCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627015599 366405121 /nfs/dbraw/zinc/40/51/21/366405121.db2.gz VYSOSHZVKHEZQV-INIZCTEOSA-N 1 0 309.454 2.143 10 30 DEEERO C=CCOCC[N@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595912675 358579066 /nfs/dbraw/zinc/57/90/66/358579066.db2.gz OWZBISMDFBGWOV-GFCCVEGCSA-N 1 0 310.419 2.312 10 30 DEEERO C=CCN(Cc1ccccc1F)C(=O)NCC1([NH3+])CCOCC1 ZINC000627154375 366459327 /nfs/dbraw/zinc/45/93/27/366459327.db2.gz IFODYGPGCBHWNZ-UHFFFAOYSA-N 1 0 321.396 2.031 10 30 DEEERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2sccc2C#N)C1 ZINC000187897066 200173112 /nfs/dbraw/zinc/17/31/12/200173112.db2.gz IVDMPHSGFVSBCE-ABAIWWIYSA-N 1 0 307.419 2.041 10 30 DEEERO C#CCOc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000188106167 200195327 /nfs/dbraw/zinc/19/53/27/200195327.db2.gz XAFUDNPAHOTZHD-HNNXBMFYSA-N 1 0 313.401 2.401 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C#N)c(O)c2)[C@H](C)C1 ZINC000188705718 200291179 /nfs/dbraw/zinc/29/11/79/200291179.db2.gz BJGHDIUJUIBPKU-DOMZBBRYSA-N 1 0 301.390 2.066 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000189259755 200371565 /nfs/dbraw/zinc/37/15/65/200371565.db2.gz WJFGXSVZLWTAJX-DYVFJYSZSA-N 1 0 304.390 2.302 10 30 DEEERO C=CC[C@@]1(C(=O)N2CCc3c(CC#N)cccc3C2)CCC[NH2+]1 ZINC000602573398 360439358 /nfs/dbraw/zinc/43/93/58/360439358.db2.gz IMWDIUPSUADRIH-IBGZPJMESA-N 1 0 309.413 2.336 10 30 DEEERO C=C(C)C[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)C(=O)OC ZINC000602601732 360452174 /nfs/dbraw/zinc/45/21/74/360452174.db2.gz SIHBBNWZFGORLY-CABCVRRESA-N 1 0 304.390 2.091 10 30 DEEERO [NH3+]CC#Cc1cnccc1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000091462180 193059396 /nfs/dbraw/zinc/05/93/96/193059396.db2.gz PXDONFDZMIXVJY-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO C=CCN(C)C(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC000624587538 365481945 /nfs/dbraw/zinc/48/19/45/365481945.db2.gz NKHURVYTGIZCAW-HNNXBMFYSA-N 1 0 303.406 2.097 10 30 DEEERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)n1C ZINC000450638940 242048726 /nfs/dbraw/zinc/04/87/26/242048726.db2.gz UWRFIFQLNHZXPQ-WMLDXEAASA-N 1 0 322.412 2.147 10 30 DEEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(C#CCO)cs1 ZINC000094441012 193369696 /nfs/dbraw/zinc/36/96/96/193369696.db2.gz PVYFUMJLNADQHP-GDBMZVCRSA-N 1 0 304.459 2.151 10 30 DEEERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)n1ccnc1C#N ZINC000094936523 193406298 /nfs/dbraw/zinc/40/62/98/193406298.db2.gz PNBOEKGKSCHHFT-NOZJJQNGSA-N 1 0 305.179 2.454 10 30 DEEERO COc1ccc([C@@H](C#N)NCC[NH+](C)C)cc1Br ZINC000038052245 182982666 /nfs/dbraw/zinc/98/26/66/182982666.db2.gz QDYRTKUESNNSDR-GFCCVEGCSA-N 1 0 312.211 2.174 10 30 DEEERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(CCC#N)C(C)C)c1 ZINC000042530100 183280833 /nfs/dbraw/zinc/28/08/33/183280833.db2.gz UWTALOZTKCDGAL-ZDUSSCGKSA-N 1 0 309.435 2.280 10 30 DEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)c1cc(Cl)c[nH]1 ZINC000042364738 183258882 /nfs/dbraw/zinc/25/88/82/183258882.db2.gz MZKXGIRKXLDYOO-UHFFFAOYSA-N 1 0 307.806 2.312 10 30 DEEERO CCN(CCOc1ccc(C#CC[NH3+])cc1)CC(F)(F)F ZINC000042780002 183308608 /nfs/dbraw/zinc/30/86/08/183308608.db2.gz BBSNWHMIOKGNIN-UHFFFAOYSA-N 1 0 300.324 2.260 10 30 DEEERO C#CCNC(=O)[C@H](C)Oc1ccc(C[NH2+]CCC)cc1Cl ZINC000043479369 183366076 /nfs/dbraw/zinc/36/60/76/183366076.db2.gz WKEZEXPQIVTUKA-LBPRGKRZSA-N 1 0 308.809 2.356 10 30 DEEERO N#Cc1ncn(-c2cc(Br)ccc2C[NH2+]C2CC2)n1 ZINC000061842384 184189621 /nfs/dbraw/zinc/18/96/21/184189621.db2.gz DFFTYINLQVDYLN-UHFFFAOYSA-N 1 0 318.178 2.153 10 30 DEEERO Cc1cc(C(=O)N2CCSC(C)(C)C2)sc1C#CC[NH3+] ZINC000159026887 197319883 /nfs/dbraw/zinc/31/98/83/197319883.db2.gz DBNPJKYDYIXLHK-UHFFFAOYSA-N 1 0 308.472 2.334 10 30 DEEERO CC[C@@H]1CN(C(=O)c2ccc(C)c(C#CC[NH3+])c2)CCS1 ZINC000157980773 197231912 /nfs/dbraw/zinc/23/19/12/197231912.db2.gz AILIJVXXEVPCBX-MRXNPFEDSA-N 1 0 302.443 2.273 10 30 DEEERO Cc1oc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)c1C ZINC000157179181 197168623 /nfs/dbraw/zinc/16/86/23/197168623.db2.gz MXVPFTCSCUHYNP-BXUZGUMPSA-N 1 0 318.421 2.121 10 30 DEEERO [NH3+]CC#Cc1ccc(F)c(C(=O)NC[C@H]2CCCCS2)c1 ZINC000156568129 197124075 /nfs/dbraw/zinc/12/40/75/197124075.db2.gz VNYANNPSNYFJAQ-CYBMUJFWSA-N 1 0 306.406 2.151 10 30 DEEERO C[C@H]1C[N@@H+](C2CCN(Cc3ccc(C#N)s3)CC2)CCO1 ZINC000121776120 195345305 /nfs/dbraw/zinc/34/53/05/195345305.db2.gz RMYIURULGAUFGO-ZDUSSCGKSA-N 1 0 305.447 2.305 10 30 DEEERO C[NH+](C)CCOc1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000192779157 145078849 /nfs/dbraw/zinc/07/88/49/145078849.db2.gz WPGOZWYEYYBLQG-UHFFFAOYSA-N 1 0 310.357 2.146 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C#N)cc1 ZINC000246441810 145102635 /nfs/dbraw/zinc/10/26/35/145102635.db2.gz UEJWCGQZSJDVDQ-SJORKVTESA-N 1 0 312.417 2.326 10 30 DEEERO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246501463 145104998 /nfs/dbraw/zinc/10/49/98/145104998.db2.gz FBJOQDZFKDGSTI-RDJZCZTQSA-N 1 0 313.401 2.388 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000247303405 145132539 /nfs/dbraw/zinc/13/25/39/145132539.db2.gz HBLSATPLBSKVOD-YCPHGPKFSA-N 1 0 315.417 2.124 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C#N)c(C)n2)[C@@H](C)C1 ZINC000247433852 145137134 /nfs/dbraw/zinc/13/71/34/145137134.db2.gz OWJKSUZXFOAQRQ-BLLLJJGKSA-N 1 0 300.406 2.064 10 30 DEEERO N#Cc1ccc([C@H](O)C[N@@H+]2CCCN(c3ccccn3)CC2)cc1 ZINC000248866108 145170488 /nfs/dbraw/zinc/17/04/88/145170488.db2.gz HUPVGNQFURATKZ-GOSISDBHSA-N 1 0 322.412 2.199 10 30 DEEERO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)CN1CCOCC1 ZINC000358571219 147158543 /nfs/dbraw/zinc/15/85/43/147158543.db2.gz OVLYQPFYNGSDFG-ZIAGYGMSSA-N 1 0 305.397 2.316 10 30 DEEERO C[NH+](C)C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CCO1 ZINC000128253619 401768766 /nfs/dbraw/zinc/76/87/66/401768766.db2.gz BNUHSZOZKWRDHO-GOSISDBHSA-N 1 0 317.433 2.132 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2C#N)[C@H](C)C1 ZINC000076485481 401796516 /nfs/dbraw/zinc/79/65/16/401796516.db2.gz CDVLQYFXAZLXDU-GDBMZVCRSA-N 1 0 315.417 2.126 10 30 DEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1cccc(C#N)c1 ZINC000079212963 401871361 /nfs/dbraw/zinc/87/13/61/401871361.db2.gz MBLCXFBXYKUWPP-INIZCTEOSA-N 1 0 302.422 2.334 10 30 DEEERO C[C@@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1 ZINC000132370426 401866106 /nfs/dbraw/zinc/86/61/06/401866106.db2.gz HTXQHSOXUGJFGN-PBHICJAKSA-N 1 0 315.417 2.016 10 30 DEEERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1C ZINC000118017229 401889022 /nfs/dbraw/zinc/88/90/22/401889022.db2.gz KZFUJIGPLLAUEK-HNNXBMFYSA-N 1 0 316.405 2.099 10 30 DEEERO COc1ccc(C[NH2+]Cc2ccnn2C)cc1OCCCC#N ZINC000119996344 401973830 /nfs/dbraw/zinc/97/38/30/401973830.db2.gz UBHBQMXDTPQEOQ-UHFFFAOYSA-N 1 0 314.389 2.401 10 30 DEEERO C[C@@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)O1 ZINC000151036946 402011987 /nfs/dbraw/zinc/01/19/87/402011987.db2.gz MQWPPTDOVGIOOV-PBHICJAKSA-N 1 0 315.417 2.016 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000054779918 402070957 /nfs/dbraw/zinc/07/09/57/402070957.db2.gz BXBXMJQFJDWOAL-HNNXBMFYSA-N 1 0 315.417 2.174 10 30 DEEERO C=CCOc1ccc(CN2CCC[C@@H](NC(C)=O)C2)cc1OC ZINC000153886673 402177378 /nfs/dbraw/zinc/17/73/78/402177378.db2.gz FQSNEQFOKMHBAF-MRXNPFEDSA-N 1 0 318.417 2.361 10 30 DEEERO C=CCCCN(C)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176629081 402324622 /nfs/dbraw/zinc/32/46/22/402324622.db2.gz DLIZOSZPOFSDEI-UHFFFAOYSA-N 1 0 311.470 2.483 10 30 DEEERO N#Cc1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000184731579 402296183 /nfs/dbraw/zinc/29/61/83/402296183.db2.gz VRKZVHFAGNBVLQ-QZTJIDSGSA-N 1 0 308.381 2.153 10 30 DEEERO CC[C@H]1CN(CC#Cc2ccc(Cl)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000177130470 402372840 /nfs/dbraw/zinc/37/28/40/402372840.db2.gz XHHXQWONFXXPOY-QAPCUYQASA-N 1 0 320.864 2.469 10 30 DEEERO Clc1ccc(C#CCN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000177365916 402395137 /nfs/dbraw/zinc/39/51/37/402395137.db2.gz PSZWKKFHXOZFNS-UHFFFAOYSA-N 1 0 318.848 2.488 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]CCCNc3ccccn3)n2c1 ZINC000177589390 402418590 /nfs/dbraw/zinc/41/85/90/402418590.db2.gz YQMLARKFTWJYAO-UHFFFAOYSA-N 1 0 306.373 2.193 10 30 DEEERO C=CCN(Cc1ccc(OC)cc1)C[C@@H](C)CS(C)(=O)=O ZINC000163074392 402440995 /nfs/dbraw/zinc/44/09/95/402440995.db2.gz COHIRHMCRIUSLA-CQSZACIVSA-N 1 0 311.447 2.364 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000186701705 402456856 /nfs/dbraw/zinc/45/68/56/402456856.db2.gz GGZLMYDHSFOIMV-SFHVURJKSA-N 1 0 306.425 2.359 10 30 DEEERO N#Cc1c(Br)cccc1NCCCN1CC[NH2+]CC1 ZINC000169053060 402499985 /nfs/dbraw/zinc/49/99/85/402499985.db2.gz IVVRTLNDPDWSBD-UHFFFAOYSA-N 1 0 323.238 2.028 10 30 DEEERO C=CC[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000189641106 402549342 /nfs/dbraw/zinc/54/93/42/402549342.db2.gz MOECVMFBWHZRLK-SJORKVTESA-N 1 0 302.418 2.135 10 30 DEEERO C[C@H](O)C[N@@H+]1CCN(CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000246387448 402528491 /nfs/dbraw/zinc/52/84/91/402528491.db2.gz IUGOTUYUFUXSGY-GJZGRUSLSA-N 1 0 306.837 2.078 10 30 DEEERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000170874789 402536563 /nfs/dbraw/zinc/53/65/63/402536563.db2.gz CQGGAGLUJZJEKZ-ZDUSSCGKSA-N 1 0 303.410 2.283 10 30 DEEERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCCCC#N ZINC000171429925 402587024 /nfs/dbraw/zinc/58/70/24/402587024.db2.gz OUPHOKRWGKAVAC-MRXNPFEDSA-N 1 0 302.422 2.152 10 30 DEEERO C[C@H](NC(=O)c1cc(C#N)cn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180864593 402628124 /nfs/dbraw/zinc/62/81/24/402628124.db2.gz FFLGSHZQVCZYSR-DZGCQCFKSA-N 1 0 314.433 2.280 10 30 DEEERO N#Cc1ccc(NC(=O)CCN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000172346058 402651845 /nfs/dbraw/zinc/65/18/45/402651845.db2.gz KFHHSPNXLFSNKN-UHFFFAOYSA-N 1 0 312.417 2.057 10 30 DEEERO C[N@H+](CCCNC(=O)c1ccnc(C#N)c1)C1CCCCC1 ZINC000192546803 402736346 /nfs/dbraw/zinc/73/63/46/402736346.db2.gz SXDUUAQUNJEQOJ-UHFFFAOYSA-N 1 0 300.406 2.338 10 30 DEEERO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000192971805 402759017 /nfs/dbraw/zinc/75/90/17/402759017.db2.gz WMXPIEQFJNVKRZ-UHFFFAOYSA-N 1 0 308.385 2.157 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000184236989 402829336 /nfs/dbraw/zinc/82/93/36/402829336.db2.gz HRIOZLOHXYGUMQ-IAGOWNOFSA-N 1 0 307.482 2.217 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1ccc(Br)cc1OC ZINC000184288180 402833054 /nfs/dbraw/zinc/83/30/54/402833054.db2.gz XBGQKADSUGJJQI-GFCCVEGCSA-N 1 0 300.196 2.484 10 30 DEEERO C=CCCO[C@H](C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000265348964 402912153 /nfs/dbraw/zinc/91/21/53/402912153.db2.gz WYDKZORVYYHKTM-CYBMUJFWSA-N 1 0 308.397 2.485 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)C1=O ZINC000281386831 403067409 /nfs/dbraw/zinc/06/74/09/403067409.db2.gz ZFCBELWIXHIWER-WFASDCNBSA-N 1 0 304.438 2.384 10 30 DEEERO C#CCC(CC#C)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000277631988 403239129 /nfs/dbraw/zinc/23/91/29/403239129.db2.gz JKQCLDMCQMXQRU-UHFFFAOYSA-N 1 0 323.440 2.035 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)c1cn[nH]c1)C(C)C ZINC000270348168 403182506 /nfs/dbraw/zinc/18/25/06/403182506.db2.gz VTJLERFNENIETK-HOCLYGCPSA-N 1 0 319.453 2.469 10 30 DEEERO C=CCOc1cccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1 ZINC000284209198 403254231 /nfs/dbraw/zinc/25/42/31/403254231.db2.gz ZKCGMJSVSAXKFP-WBVHZDCISA-N 1 0 307.434 2.499 10 30 DEEERO C=CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)C2)cc1OC ZINC000271089611 403262674 /nfs/dbraw/zinc/26/26/74/403262674.db2.gz KNALMOWXFKLDMC-CQSZACIVSA-N 1 0 305.374 2.255 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000298368310 403367492 /nfs/dbraw/zinc/36/74/92/403367492.db2.gz QCCBMILMQIXRTE-GOEBONIOSA-N 1 0 314.389 2.115 10 30 DEEERO CC#CCCCC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000343719898 403706717 /nfs/dbraw/zinc/70/67/17/403706717.db2.gz GENDKUAFGVQQRI-KRWDZBQOSA-N 1 0 306.450 2.283 10 30 DEEERO C[C@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@H]1[NH3+] ZINC000333752637 403844992 /nfs/dbraw/zinc/84/49/92/403844992.db2.gz ZHAPHEJVEOGJGN-BLLLJJGKSA-N 1 0 309.417 2.267 10 30 DEEERO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC[C@@H]21 ZINC000334085575 403909529 /nfs/dbraw/zinc/90/95/29/403909529.db2.gz LWAYWDGOAOVEKI-FZKCQIBNSA-N 1 0 304.438 2.194 10 30 DEEERO CS[C@@H](C)CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328629180 404120198 /nfs/dbraw/zinc/12/01/98/404120198.db2.gz OOQJEBSAWOBCPD-QEJZJMRPSA-N 1 0 322.478 2.330 10 30 DEEERO C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000290494132 404192377 /nfs/dbraw/zinc/19/23/77/404192377.db2.gz VHHWXRRZXKAQGQ-UONOGXRCSA-N 1 0 312.421 2.132 10 30 DEEERO CC(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2Cn2ccnc2)CCO1 ZINC000329136687 404241401 /nfs/dbraw/zinc/24/14/01/404241401.db2.gz HDPYOSCBYDGEDZ-PMPSAXMXSA-N 1 0 320.437 2.465 10 30 DEEERO C=CCC[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)C(=O)OCC ZINC000412401249 404284686 /nfs/dbraw/zinc/28/46/86/404284686.db2.gz XJJSDEFMIASBDL-LSDHHAIUSA-N 1 0 310.438 2.265 10 30 DEEERO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000352466722 404390190 /nfs/dbraw/zinc/39/01/90/404390190.db2.gz FAMZSTDVNDWATB-QWHCGFSZSA-N 1 0 322.371 2.094 10 30 DEEERO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cn(C)nc2C2CC2)C[C@@H]1C ZINC000329633234 404402371 /nfs/dbraw/zinc/40/23/71/404402371.db2.gz SINMKYPWCNTKGZ-RYUDHWBXSA-N 1 0 305.426 2.258 10 30 DEEERO C=CCn1c(-c2ccoc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000351076531 404510810 /nfs/dbraw/zinc/51/08/10/404510810.db2.gz STHCRCNDSVXQMP-OAHLLOKOSA-N 1 0 313.405 2.397 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000297693284 404591849 /nfs/dbraw/zinc/59/18/49/404591849.db2.gz QQZCWYNYLAKZOU-ROUUACIJSA-N 1 0 311.429 2.294 10 30 DEEERO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000342395896 404552905 /nfs/dbraw/zinc/55/29/05/404552905.db2.gz FOEOCDZHGCEVBP-GJZGRUSLSA-N 1 0 320.433 2.407 10 30 DEEERO C=CCNC(=O)C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451151833 404882379 /nfs/dbraw/zinc/88/23/79/404882379.db2.gz WPNIPRMFURPGEH-UHFFFAOYSA-N 1 0 314.307 2.466 10 30 DEEERO COc1cc(C[N@@H+]2CCCN(c3cccnn3)CC2)ccc1C#N ZINC000367027891 404903694 /nfs/dbraw/zinc/90/36/94/404903694.db2.gz CXPLCZWIVFNMSK-UHFFFAOYSA-N 1 0 323.400 2.069 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[NH2+]CC ZINC000415371535 404854947 /nfs/dbraw/zinc/85/49/47/404854947.db2.gz SSBKAIQNYLBBTJ-UHFFFAOYSA-N 1 0 317.433 2.203 10 30 DEEERO C=CCCS(=O)(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000361269488 405001480 /nfs/dbraw/zinc/00/14/80/405001480.db2.gz VHQXBBZVKWENTO-INIZCTEOSA-N 1 0 322.474 2.489 10 30 DEEERO C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](CC)CC1 ZINC000424118393 405013036 /nfs/dbraw/zinc/01/30/36/405013036.db2.gz CJQGMZFJXYXVOV-CYBMUJFWSA-N 1 0 307.467 2.174 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000367866907 405179587 /nfs/dbraw/zinc/17/95/87/405179587.db2.gz WADPQFYODGXIBK-QGZVFWFLSA-N 1 0 311.429 2.111 10 30 DEEERO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2COc2cccnc2C)C1=O ZINC000419381987 405246544 /nfs/dbraw/zinc/24/65/44/405246544.db2.gz CZQKEIGEMFIUGK-CVEARBPZSA-N 1 0 315.417 2.020 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000454532417 405359496 /nfs/dbraw/zinc/35/94/96/405359496.db2.gz CDRXKLYXSGJDOQ-NVXWUHKLSA-N 1 0 323.481 2.387 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000425847115 405324006 /nfs/dbraw/zinc/32/40/06/405324006.db2.gz CGANAHVZLJDYIB-IRXDYDNUSA-N 1 0 321.465 2.095 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000425879442 405326305 /nfs/dbraw/zinc/32/63/05/405326305.db2.gz QRDHRUKXGMZFHX-VYDXJSESSA-N 1 0 321.465 2.093 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446719096 405389934 /nfs/dbraw/zinc/38/99/34/405389934.db2.gz LVGAEKBYWONMPS-KDOFPFPSSA-N 1 0 315.417 2.050 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000448647801 405431911 /nfs/dbraw/zinc/43/19/11/405431911.db2.gz JXLABJCANOFZIZ-QGZVFWFLSA-N 1 0 322.412 2.464 10 30 DEEERO C=CCC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000458591709 405502939 /nfs/dbraw/zinc/50/29/39/405502939.db2.gz SNBMHTPTYNVVJW-IKGGRYGDSA-N 1 0 317.433 2.058 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638512793 405519911 /nfs/dbraw/zinc/51/99/11/405519911.db2.gz WZMWXCUTTYBLJW-INIZCTEOSA-N 1 0 316.401 2.274 10 30 DEEERO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCNC(=O)CC1 ZINC000450296259 405821239 /nfs/dbraw/zinc/82/12/39/405821239.db2.gz CGVJGCNWMQBXJZ-AWEZNQCLSA-N 1 0 317.389 2.499 10 30 DEEERO C=CCOc1ccc(C[NH2+]C2(CC(=O)OC)CC2)cc1OC ZINC000563255583 406059471 /nfs/dbraw/zinc/05/94/71/406059471.db2.gz LPEUNRGIVHBPDP-UHFFFAOYSA-N 1 0 305.374 2.445 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000519706345 406239023 /nfs/dbraw/zinc/23/90/23/406239023.db2.gz LVVJRCMDNPFQHD-HZPDHXFCSA-N 1 0 323.481 2.038 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000519706329 406239536 /nfs/dbraw/zinc/23/95/36/406239536.db2.gz LVVJRCMDNPFQHD-CVEARBPZSA-N 1 0 323.481 2.038 10 30 DEEERO C=CCN(CC=C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637669416 406384597 /nfs/dbraw/zinc/38/45/97/406384597.db2.gz IIPAFYLKVULAMR-UHFFFAOYSA-N 1 0 303.410 2.356 10 30 DEEERO CC(C)N(CCC#N)C(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129086208 196018271 /nfs/dbraw/zinc/01/82/71/196018271.db2.gz DSBGURCVKQEUNE-UHFFFAOYSA-N 1 0 303.793 2.414 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000132432664 196254923 /nfs/dbraw/zinc/25/49/23/196254923.db2.gz PVJLESORLKTJCK-GZMMTYOYSA-N 1 0 308.179 2.387 10 30 DEEERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(-n2cncn2)c1 ZINC000329326251 225864807 /nfs/dbraw/zinc/86/48/07/225864807.db2.gz WORDHFJYFXKXSS-CVEARBPZSA-N 1 0 311.389 2.199 10 30 DEEERO Cc1ccc(NCC2([NH+]3CCCC3)CCOCC2)nc1C#N ZINC000615699028 422500033 /nfs/dbraw/zinc/50/00/33/422500033.db2.gz NJFHIZMAIOBKEN-UHFFFAOYSA-N 1 0 300.406 2.319 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096315 267378946 /nfs/dbraw/zinc/37/89/46/267378946.db2.gz GVNPVVKNSYWIOP-PBHICJAKSA-N 1 0 314.433 2.159 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000184274266 275418317 /nfs/dbraw/zinc/41/83/17/275418317.db2.gz BUWUMKSZDOSCQQ-XIRDDKMYSA-N 1 0 308.466 2.473 10 30 DEEERO C[NH+]=C(NCc1c(C)nn(C)c1C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000156096828 276844222 /nfs/dbraw/zinc/84/42/22/276844222.db2.gz VLIAXHKPWUZJLJ-GASCZTMLSA-N 1 0 303.454 2.234 10 30 DEEERO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccccc1 ZINC000179270132 277136250 /nfs/dbraw/zinc/13/62/50/277136250.db2.gz JJORSDMWRGGXHG-SJORKVTESA-N 1 0 312.417 2.377 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000285208027 277696779 /nfs/dbraw/zinc/69/67/79/277696779.db2.gz TXJJGCQHYNEBIN-OALUTQOASA-N 1 0 306.409 2.307 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@]2(C)Br)CC1 ZINC000528450437 332753945 /nfs/dbraw/zinc/75/39/45/332753945.db2.gz SGENSVLUEUWGPG-GXTWGEPZSA-N 1 0 315.255 2.317 10 30 DEEERO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC[NH+](CC)CC1 ZINC000563126352 333394923 /nfs/dbraw/zinc/39/49/23/333394923.db2.gz XGLLQZIQSQBUHC-UHFFFAOYSA-N 1 0 317.359 2.101 10 30 DEEERO Cc1ccc([C@H](C)NC(NCC(=O)N(C)C)=[NH+]C(C)C)cc1F ZINC000185532892 335138092 /nfs/dbraw/zinc/13/80/92/335138092.db2.gz WIHFGRFPDCNUFJ-ZDUSSCGKSA-N 1 0 322.428 2.227 10 30 DEEERO C=CCCCCCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000582554642 337108513 /nfs/dbraw/zinc/10/85/13/337108513.db2.gz ADWZCURDANUPLA-INIZCTEOSA-N 1 0 309.454 2.097 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000320974979 337606900 /nfs/dbraw/zinc/60/69/00/337606900.db2.gz HAWGEGHWFQCVJJ-GHMZBOCLSA-N 1 0 320.216 2.260 10 30 DEEERO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)N(C)CCC#N ZINC000192362357 534002144 /nfs/dbraw/zinc/00/21/44/534002144.db2.gz HFEQDQFILKFLRJ-WFASDCNBSA-N 1 0 301.390 2.120 10 30 DEEERO C[NH+]=C(NCC1CCC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261841944 526351565 /nfs/dbraw/zinc/35/15/65/526351565.db2.gz WTPJWVMKVFICBH-ZDUSSCGKSA-N 1 0 321.856 2.279 10 30 DEEERO C[NH+]=C(NCC1CCCCC1)NC[C@@]1(N(C)C)CCSC1 ZINC000262461230 526352122 /nfs/dbraw/zinc/35/21/22/526352122.db2.gz WCPVYRRJOWVVKF-INIZCTEOSA-N 1 0 312.527 2.169 10 30 DEEERO C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000262815236 526366744 /nfs/dbraw/zinc/36/67/44/526366744.db2.gz VNGBZURNJBBGOR-HRCADAONSA-N 1 0 303.454 2.325 10 30 DEEERO C[NH+]=C(NCc1cccc(OC)n1)N(C)Cc1cccc(F)c1 ZINC000262594780 526384241 /nfs/dbraw/zinc/38/42/41/526384241.db2.gz WHYWUWWGZCKVHM-UHFFFAOYSA-N 1 0 316.380 2.437 10 30 DEEERO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CCC[C@@H]1C#N ZINC000262467205 526395121 /nfs/dbraw/zinc/39/51/21/526395121.db2.gz YJCGLSRMXVHEBC-XLWJZTARSA-N 1 0 304.438 2.047 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000447793600 526536661 /nfs/dbraw/zinc/53/66/61/526536661.db2.gz DIMUARAOWNZQQX-KRWDZBQOSA-N 1 0 315.461 2.100 10 30 DEEERO C=CCNC(=O)c1ccc(NC2CC([NH+]3CCCCC3)C2)nc1 ZINC000373682335 526652740 /nfs/dbraw/zinc/65/27/40/526652740.db2.gz DMWFIDFNSQTQOD-UHFFFAOYSA-N 1 0 314.433 2.426 10 30 DEEERO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248620874 526667323 /nfs/dbraw/zinc/66/73/23/526667323.db2.gz LKENKTDDLZNGBK-DOTOQJQBSA-N 1 0 313.445 2.458 10 30 DEEERO C=C(C)Cn1c(C)nnc1N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000338804827 526723625 /nfs/dbraw/zinc/72/36/25/526723625.db2.gz DBCZCLQMZSKIIJ-MRXNPFEDSA-N 1 0 321.469 2.100 10 30 DEEERO C=CCOCC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000339030035 526770371 /nfs/dbraw/zinc/77/03/71/526770371.db2.gz SYPVQHFXFYCIOT-UHFFFAOYSA-N 1 0 314.429 2.490 10 30 DEEERO C=CCOc1ccc(CN2CC[NH2+]C[C@H]2c2nccn2C)cc1 ZINC000262025251 526869833 /nfs/dbraw/zinc/86/98/33/526869833.db2.gz NLZAUDMRKWHZEG-KRWDZBQOSA-N 1 0 312.417 2.131 10 30 DEEERO C=CCSCCNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417341418 526987195 /nfs/dbraw/zinc/98/71/95/526987195.db2.gz LEWHMHMIVABVET-UHFFFAOYSA-N 1 0 307.463 2.119 10 30 DEEERO C#CCOc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000368022500 527094876 /nfs/dbraw/zinc/09/48/76/527094876.db2.gz QEKZSKMSBWOLJR-FUHWJXTLSA-N 1 0 312.413 2.303 10 30 DEEERO C=CC[C@H](CC)NC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000341374592 527148265 /nfs/dbraw/zinc/14/82/65/527148265.db2.gz MDJSJIOZHHXHTB-AWEZNQCLSA-N 1 0 318.421 2.277 10 30 DEEERO C=CC[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000368815216 527205744 /nfs/dbraw/zinc/20/57/44/527205744.db2.gz AMOATRAPTLLAGC-QZTJIDSGSA-N 1 0 316.445 2.403 10 30 DEEERO C=CC[C@H]1[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)CCCC1(C)C ZINC000338363219 527225948 /nfs/dbraw/zinc/22/59/48/527225948.db2.gz QUAATYKDPIBFCD-HUUCEWRRSA-N 1 0 314.495 2.335 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333267288 527472940 /nfs/dbraw/zinc/47/29/40/527472940.db2.gz VLIMTTMZZCCRQE-BMRXWSCTSA-N 1 0 307.438 2.035 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@H]2CCCO2)C12CCCCC2 ZINC000262415200 527790972 /nfs/dbraw/zinc/79/09/72/527790972.db2.gz MAUDZKFFRKVCSF-RBSFLKMASA-N 1 0 309.454 2.198 10 30 DEEERO CCC[C@H]1CN(CC#Cc2ccccc2)CC[N@@H+]1CCOC ZINC000192140302 528400451 /nfs/dbraw/zinc/40/04/51/528400451.db2.gz YCCYBYDSFCWEAI-IBGZPJMESA-N 1 0 300.446 2.471 10 30 DEEERO CC[NH+]=C(NCC1(C)CC1)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000262405652 528801540 /nfs/dbraw/zinc/80/15/40/528801540.db2.gz OLABTKQZSWOEGL-CYBMUJFWSA-N 1 0 318.469 2.072 10 30 DEEERO CC[NH+]=C(NCCc1noc(CC)n1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261783114 528807414 /nfs/dbraw/zinc/80/74/14/528807414.db2.gz QGTTWDFUKFBALM-KBPBESRZSA-N 1 0 319.453 2.262 10 30 DEEERO CC(C)[NH+]1CCC(NC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441004421 528997599 /nfs/dbraw/zinc/99/75/99/528997599.db2.gz QDVQLNAVTNMSEK-UHFFFAOYSA-N 1 0 306.454 2.488 10 30 DEEERO [NH2+]=C(NC[C@H]1CCCO1)NCC1(c2ccc(F)cc2)CCC1 ZINC000066244348 625058039 /nfs/dbraw/zinc/05/80/39/625058039.db2.gz JZUAKBNIIVTIQQ-OAHLLOKOSA-N 1 0 305.397 2.331 10 30 DEEERO C=C(Br)C[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186321029 637634835 /nfs/dbraw/zinc/63/48/35/637634835.db2.gz UFFVIGDKAHEREP-VXGBXAGGSA-N 1 0 304.228 2.459 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262340683 638750840 /nfs/dbraw/zinc/75/08/40/638750840.db2.gz CKRGDLYPOYVOQQ-OPQQBVKSSA-N 1 0 311.788 2.418 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000804456273 645774355 /nfs/dbraw/zinc/77/43/55/645774355.db2.gz WCASZPMRKPTBEQ-IAGOWNOFSA-N 1 0 316.470 2.175 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000807678627 645976234 /nfs/dbraw/zinc/97/62/34/645976234.db2.gz CFBBNRXUBJUUCC-ZBFHGGJFSA-N 1 0 300.402 2.488 10 30 DEEERO C#CCOc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000731113584 647447946 /nfs/dbraw/zinc/44/79/46/647447946.db2.gz FYQWCSZJODSTAK-CQSZACIVSA-N 1 0 301.390 2.162 10 30 DEEERO N#CCSCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183198485 649046126 /nfs/dbraw/zinc/04/61/26/649046126.db2.gz HAMOZQQSIDMOOX-HNNXBMFYSA-N 1 0 304.415 2.451 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1COc2ccccc21 ZINC000121394033 649476928 /nfs/dbraw/zinc/47/69/28/649476928.db2.gz GKZAWEXBUPKAJF-HOCLYGCPSA-N 1 0 301.386 2.440 10 30 DEEERO CN(CCNC(=[NH2+])NC1CCCCC1)Cc1ccc(F)cc1 ZINC000304720656 685257982 /nfs/dbraw/zinc/25/79/82/685257982.db2.gz OLNYIMODHGKZHQ-UHFFFAOYSA-N 1 0 306.429 2.495 10 30 DEEERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1OCC#N ZINC000194160496 685059595 /nfs/dbraw/zinc/05/95/95/685059595.db2.gz ICTFMNUERSNVGZ-AWEZNQCLSA-N 1 0 301.390 2.193 10 30 DEEERO C[C@H](OCCCNC(=[NH2+])NC[C@@H]1CCCO1)c1ccccc1 ZINC000195522033 685101707 /nfs/dbraw/zinc/10/17/07/685101707.db2.gz REUNOFUSVWYTES-HOCLYGCPSA-N 1 0 305.422 2.238 10 30 DEEERO Cc1cc(C)cc(NC(=[NH2+])NCCNC(=O)c2ccccc2)c1 ZINC000303780260 685234685 /nfs/dbraw/zinc/23/46/85/685234685.db2.gz LFTBYDGXUXSGFZ-UHFFFAOYSA-N 1 0 310.401 2.460 10 30 DEEERO C#Cc1cccc(NC(=O)CNC(=[NH2+])Nc2cccc(C)c2)c1 ZINC000303863977 685235547 /nfs/dbraw/zinc/23/55/47/685235547.db2.gz ATTFWJSPAUFUJY-UHFFFAOYSA-N 1 0 306.369 2.342 10 30 DEEERO [NH2+]=C(NCCCCNc1ccccn1)NCCc1cccs1 ZINC000303972281 685241204 /nfs/dbraw/zinc/24/12/04/685241204.db2.gz FNPNRIQYYHUJRC-UHFFFAOYSA-N 1 0 317.462 2.482 10 30 DEEERO C[C@@](O)(C[NH2+]CCOCC(F)(F)F)C(F)(F)C(F)(F)F ZINC000724059790 777233696 /nfs/dbraw/zinc/23/36/96/777233696.db2.gz RMFFWDYJPNZPKF-ZCFIWIBFSA-N 1 0 319.192 2.104 10 30 DEEERO C#CC[N@H+](C)CCCNCc1nc(C)c(Br)s1 ZINC000719317894 1088936233 /nfs/dbraw/zinc/93/62/33/1088936233.db2.gz PAIQVJNMEJOOLC-UHFFFAOYSA-N 1 0 316.268 2.259 10 30 DEEERO C#CCC[C@@H](O)C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000717848994 1091324640 /nfs/dbraw/zinc/32/46/40/1091324640.db2.gz DWJPZNGUGTUAHH-HUUCEWRRSA-N 1 0 312.454 2.147 10 30 DEEERO CSCC[C@H](C)N(C)C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000162077708 197542761 /nfs/dbraw/zinc/54/27/61/197542761.db2.gz PZQYBCWKWKPGAE-LBPRGKRZSA-N 1 0 308.422 2.350 10 30 DEEERO N#Cc1ccc(CN2CC3(CC2=O)CC[NH2+]CC3)c(Cl)c1 ZINC000163681550 197645341 /nfs/dbraw/zinc/64/53/41/197645341.db2.gz IKHQSXPDADQHKI-UHFFFAOYSA-N 1 0 303.793 2.314 10 30 DEEERO C#CCNC(=O)[C@H](C)Oc1c(Cl)cccc1C[NH2+]C1CC1 ZINC000165405623 197674945 /nfs/dbraw/zinc/67/49/45/197674945.db2.gz LTOBJLPFBLBBJS-NSHDSACASA-N 1 0 306.793 2.109 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000613209878 362040081 /nfs/dbraw/zinc/04/00/81/362040081.db2.gz LLXSSTOXKWXNLX-JKSUJKDBSA-N 1 0 316.449 2.469 10 30 DEEERO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000245398521 282384898 /nfs/dbraw/zinc/38/48/98/282384898.db2.gz SWUATDXBGXXYCO-KGLIPLIRSA-N 1 0 303.406 2.172 10 30 DEEERO C[C@@H]1CN(C(=O)c2cc(C#CC[NH3+])ccc2F)C[C@@H](C)S1 ZINC000070388864 190884066 /nfs/dbraw/zinc/88/40/66/190884066.db2.gz MRSBWVLKTRRQIZ-VXGBXAGGSA-N 1 0 306.406 2.102 10 30 DEEERO Cc1ccc(C(=O)N2CCS[C@@H](C)[C@H]2C)c(C#CC[NH3+])c1 ZINC000133673475 186005173 /nfs/dbraw/zinc/00/51/73/186005173.db2.gz MZSFCJKNHOWNPS-KGLIPLIRSA-N 1 0 302.443 2.271 10 30 DEEERO Cc1cc(C(=O)N2CCS[C@@H](C)[C@H]2C)ccc1C#CC[NH3+] ZINC000133668605 186005243 /nfs/dbraw/zinc/00/52/43/186005243.db2.gz DYKFAWZBLLKSOF-KGLIPLIRSA-N 1 0 302.443 2.271 10 30 DEEERO C=CCN(CCC)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000139259485 186020702 /nfs/dbraw/zinc/02/07/02/186020702.db2.gz CPGMSGGSUMWNFV-UHFFFAOYSA-N 1 0 318.389 2.271 10 30 DEEERO Cc1ccc(C#CC[NH3+])c(NS(=O)(=O)C2CCCCC2)c1 ZINC000164268073 186154147 /nfs/dbraw/zinc/15/41/47/186154147.db2.gz IJQUUROPFLLXLZ-UHFFFAOYSA-N 1 0 306.431 2.380 10 30 DEEERO Cc1cnn(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181914652 186218610 /nfs/dbraw/zinc/21/86/10/186218610.db2.gz IAEKTWOGZCQPIG-UHFFFAOYSA-N 1 0 323.444 2.317 10 30 DEEERO N#Cc1ccccc1NC(=O)CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172804817 198152051 /nfs/dbraw/zinc/15/20/51/198152051.db2.gz XSYRZYTZAHXWDY-MRXNPFEDSA-N 1 0 312.417 2.057 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)Nc2cn(C)nc2C2CC2)CC1 ZINC000292073770 222822814 /nfs/dbraw/zinc/82/28/14/222822814.db2.gz OXVIBMKFBNVXFE-UHFFFAOYSA-N 1 0 303.410 2.069 10 30 DEEERO O=C(NCC1([NH+]2CCCC2)CCOCC1)NC1CCCCC1 ZINC000329116790 539914200 /nfs/dbraw/zinc/91/42/00/539914200.db2.gz NNYJBTIBUJUJCE-UHFFFAOYSA-N 1 0 309.454 2.468 10 30 DEEERO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000173905170 198267568 /nfs/dbraw/zinc/26/75/68/198267568.db2.gz GUNBUBCEOQVLHD-CYBMUJFWSA-N 1 0 305.353 2.006 10 30 DEEERO N#CC1(NC(=O)C[NH2+]C2(CCO)CCCCC2)CCCCC1 ZINC000440904380 283047909 /nfs/dbraw/zinc/04/79/09/283047909.db2.gz NSMSRJBCBVPCPR-UHFFFAOYSA-N 1 0 307.438 2.004 10 30 DEEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182279691 356118876 /nfs/dbraw/zinc/11/88/76/356118876.db2.gz VCIWXRCLDYXCIV-OLZOCXBDSA-N 1 0 317.389 2.074 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182282441 356119552 /nfs/dbraw/zinc/11/95/52/356119552.db2.gz IRMHJVQJKDTIFV-ZDUSSCGKSA-N 1 0 304.390 2.491 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000626843496 366343870 /nfs/dbraw/zinc/34/38/70/366343870.db2.gz QCXKSTAEBOETQG-UHFFFAOYSA-N 1 0 303.406 2.063 10 30 DEEERO C=CCC[C@@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000581061733 357123964 /nfs/dbraw/zinc/12/39/64/357123964.db2.gz RXEMZAPXPWRZQG-MRXNPFEDSA-N 1 0 315.417 2.078 10 30 DEEERO COc1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)CC2)cc1C#N ZINC000585789576 357356810 /nfs/dbraw/zinc/35/68/10/357356810.db2.gz UIXNXRYGLREROU-CYBMUJFWSA-N 1 0 301.390 2.044 10 30 DEEERO C=CCOc1ccccc1CN1CCOC[C@H]1CC(=O)OC ZINC000589208387 357455208 /nfs/dbraw/zinc/45/52/08/357455208.db2.gz FOCFTHXBAAGYAL-OAHLLOKOSA-N 1 0 305.374 2.015 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000593094845 358008420 /nfs/dbraw/zinc/00/84/20/358008420.db2.gz IOAJSLSTFDBLCM-UONOGXRCSA-N 1 0 315.417 2.049 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000185063273 199804671 /nfs/dbraw/zinc/80/46/71/199804671.db2.gz GENFZQGEXRZAIT-ZDUSSCGKSA-N 1 0 312.207 2.411 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626974842 366387667 /nfs/dbraw/zinc/38/76/67/366387667.db2.gz LQMVLDVETDIHJP-UKRRQHHQSA-N 1 0 303.406 2.191 10 30 DEEERO C=CCCn1cc(C[NH2+][C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)nn1 ZINC000594951838 358367770 /nfs/dbraw/zinc/36/77/70/358367770.db2.gz ZOGIMWQEIDDEHI-KGLIPLIRSA-N 1 0 320.437 2.454 10 30 DEEERO C=CC[C@]1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000595927565 358582761 /nfs/dbraw/zinc/58/27/61/358582761.db2.gz PDCFNQNQLUZMCQ-MLGOLLRUSA-N 1 0 303.362 2.470 10 30 DEEERO C=CC[C@]1(C(=O)N2CCC[C@@H](C(C)(C)C(=O)OC)C2)CCC[NH2+]1 ZINC000595958494 358586346 /nfs/dbraw/zinc/58/63/46/358586346.db2.gz RHUJKFNZNVJTIJ-RDTXWAMCSA-N 1 0 322.449 2.123 10 30 DEEERO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000600153460 359666965 /nfs/dbraw/zinc/66/69/65/359666965.db2.gz MGMYAIFAZRWXRH-CZUORRHYSA-N 1 0 304.390 2.329 10 30 DEEERO C=CCOc1ccc(C[N@H+]2CC[C@](OC)(C(=O)OC)C2)cc1 ZINC000600190466 359683329 /nfs/dbraw/zinc/68/33/29/359683329.db2.gz PLMFEMLNYNRKJY-QGZVFWFLSA-N 1 0 305.374 2.015 10 30 DEEERO C=CCOc1ccc(C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)cc1 ZINC000600190465 359683591 /nfs/dbraw/zinc/68/35/91/359683591.db2.gz PLMFEMLNYNRKJY-KRWDZBQOSA-N 1 0 305.374 2.015 10 30 DEEERO C[C@@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000187909607 200174930 /nfs/dbraw/zinc/17/49/30/200174930.db2.gz KTESMFBWIGYNBO-KDOFPFPSSA-N 1 0 315.417 2.370 10 30 DEEERO C[C@@H](CO)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619295460 363759025 /nfs/dbraw/zinc/75/90/25/363759025.db2.gz HUZOTJKHZMRYMG-CJNGLKHVSA-N 1 0 307.825 2.151 10 30 DEEERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C#N)n2C)C1 ZINC000448775793 239628233 /nfs/dbraw/zinc/62/82/33/239628233.db2.gz TXFRYWOJUTZNNU-ZIAGYGMSSA-N 1 0 316.449 2.383 10 30 DEEERO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCCNC2=O)cc1OC ZINC000623386035 365008710 /nfs/dbraw/zinc/00/87/10/365008710.db2.gz HYRXZDAQKWFPKF-ZDUSSCGKSA-N 1 0 324.808 2.282 10 30 DEEERO [NH3+]CC#Cc1cnccc1C(=O)Nc1cc(Cl)ccc1F ZINC000091461499 193059438 /nfs/dbraw/zinc/05/94/38/193059438.db2.gz RQOVPVKFIKIOOZ-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO C=CC[N@@H+](C[C@H](O)CC1(O)CCOCC1)CC1CCCCC1 ZINC000630040299 367450057 /nfs/dbraw/zinc/45/00/57/367450057.db2.gz WYMWSFMQZHWBPJ-QGZVFWFLSA-N 1 0 311.466 2.347 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(C[C@@H](c2ccco2)[NH+]2CCCC2)C1=O ZINC000630964185 367939257 /nfs/dbraw/zinc/93/92/57/367939257.db2.gz FSUMMVILMUAIHP-KBPBESRZSA-N 1 0 317.389 2.303 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@@H+]2C2CCCCC2)C1=O ZINC000630986006 367951851 /nfs/dbraw/zinc/95/18/51/367951851.db2.gz MFLSEMRBSSPIRF-GJZGRUSLSA-N 1 0 305.422 2.280 10 30 DEEERO C=C1CC(C)(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)C1 ZINC000631782539 368384803 /nfs/dbraw/zinc/38/48/03/368384803.db2.gz PYSYSDBXPQTTLI-INIZCTEOSA-N 1 0 306.450 2.446 10 30 DEEERO C=CCN1C(=[NH2+])NC[C@H]1c1cc2c(c(Br)c1)OCO2 ZINC000093375494 193240741 /nfs/dbraw/zinc/24/07/41/193240741.db2.gz QLUPMSXMIXKWTM-JTQLQIEISA-N 1 0 324.178 2.035 10 30 DEEERO [NH3+]CC#Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000093976648 193332982 /nfs/dbraw/zinc/33/29/82/193332982.db2.gz WFEDCGROYLQFFA-LLVKDONJSA-N 1 0 316.348 2.473 10 30 DEEERO CC[C@@H]([NH3+])[C@H](N(CCC#N)Cc1cccnc1)C(F)(F)F ZINC000043376732 183357439 /nfs/dbraw/zinc/35/74/39/183357439.db2.gz RJDLZJUUXPRAQF-OLZOCXBDSA-N 1 0 300.328 2.465 10 30 DEEERO CC[C@@H]([NH3+])[C@@H](N(CCC#N)Cc1cccnc1)C(F)(F)F ZINC000043376736 183358337 /nfs/dbraw/zinc/35/83/37/183358337.db2.gz RJDLZJUUXPRAQF-CHWSQXEVSA-N 1 0 300.328 2.465 10 30 DEEERO C#CCNC(=O)COc1ccc(Cl)cc1C[NH2+]C(C)(C)C ZINC000062730815 184251399 /nfs/dbraw/zinc/25/13/99/184251399.db2.gz LVVWBNRPSQWPKT-UHFFFAOYSA-N 1 0 308.809 2.356 10 30 DEEERO C[NH+](C)[C@@H](CNC(=O)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000536021697 284930010 /nfs/dbraw/zinc/93/00/10/284930010.db2.gz JSGPYFDPZIYGFX-LJQANCHMSA-N 1 0 321.424 2.390 10 30 DEEERO C=C[C@@](C)(C[NH2+]CC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000158967479 197315064 /nfs/dbraw/zinc/31/50/64/197315064.db2.gz NEDBUKHXOJZUEK-HZPDHXFCSA-N 1 0 316.511 2.486 10 30 DEEERO C=C[C@@](C)(C[NH2+]CCC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000158787651 197300756 /nfs/dbraw/zinc/30/07/56/197300756.db2.gz QGDXQDPRCYYQQY-HUUCEWRRSA-N 1 0 302.484 2.240 10 30 DEEERO C[C@@H](NC(=O)[C@@H]1CCCCS1)c1ccc(C#CC[NH3+])cc1 ZINC000156279522 197100805 /nfs/dbraw/zinc/10/08/05/197100805.db2.gz MOTVREKMYQCMNT-CJNGLKHVSA-N 1 0 302.443 2.460 10 30 DEEERO C=CCCOCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000122707733 195489678 /nfs/dbraw/zinc/48/96/78/195489678.db2.gz UKCNVACVEIPNIO-MRXNPFEDSA-N 1 0 309.454 2.239 10 30 DEEERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1cc(Br)ccc1C#N ZINC000124560320 195654825 /nfs/dbraw/zinc/65/48/25/195654825.db2.gz ZXURSSLJBCDEEW-UHTWSYAYSA-N 1 0 310.195 2.237 10 30 DEEERO CC1=CC[N@H+](CCNC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000358198068 133127539 /nfs/dbraw/zinc/12/75/39/133127539.db2.gz WSVAOWBWDOKJCC-UHFFFAOYSA-N 1 0 312.417 2.352 10 30 DEEERO C=CCOc1ccccc1CN1CC[NH+](CCOCC)CC1 ZINC000127449496 401735726 /nfs/dbraw/zinc/73/57/26/401735726.db2.gz XTNPEEQQLPIDKZ-UHFFFAOYSA-N 1 0 304.434 2.406 10 30 DEEERO N#Cc1ccc2ncc(CN3CC[NH+](C4CCCC4)CC3)n2c1 ZINC000126967000 401715044 /nfs/dbraw/zinc/71/50/44/401715044.db2.gz OIWDNCCZZLHPTQ-UHFFFAOYSA-N 1 0 309.417 2.266 10 30 DEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000076734414 401799373 /nfs/dbraw/zinc/79/93/73/401799373.db2.gz QTASABHCAWEYGJ-HUUCEWRRSA-N 1 0 318.417 2.229 10 30 DEEERO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128543882 401782047 /nfs/dbraw/zinc/78/20/47/401782047.db2.gz WACNJFVTRFPKIY-MRXNPFEDSA-N 1 0 310.401 2.202 10 30 DEEERO CCc1ccc([C@@H](CNC(=O)c2cc(C#N)cn2C)[NH+](C)C)cc1 ZINC000081570570 401897742 /nfs/dbraw/zinc/89/77/42/401897742.db2.gz VVNWQQUDZSXPET-GOSISDBHSA-N 1 0 324.428 2.492 10 30 DEEERO C=CCOc1cccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000118811324 401908919 /nfs/dbraw/zinc/90/89/19/401908919.db2.gz CQASYTOVUIKCOI-INIZCTEOSA-N 1 0 319.405 2.046 10 30 DEEERO C#CCOc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151278492 402027654 /nfs/dbraw/zinc/02/76/54/402027654.db2.gz UJWWFEIZLGKCLA-SJLPKXTDSA-N 1 0 316.445 2.196 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000052594107 402044272 /nfs/dbraw/zinc/04/42/72/402044272.db2.gz KAHIANOFVGIINQ-INIZCTEOSA-N 1 0 300.406 2.184 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152268845 402086067 /nfs/dbraw/zinc/08/60/67/402086067.db2.gz NSLOGSLONDZAIC-WBVHZDCISA-N 1 0 317.433 2.348 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)n2c1 ZINC000123633662 402138959 /nfs/dbraw/zinc/13/89/59/402138959.db2.gz LJDFHCIBJQSJSM-UHFFFAOYSA-N 1 0 321.340 2.446 10 30 DEEERO CCCC(=O)N[C@@H]1CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000101563246 402148986 /nfs/dbraw/zinc/14/89/86/402148986.db2.gz RCSWAFWCPVQESR-MRXNPFEDSA-N 1 0 315.417 2.318 10 30 DEEERO CC#CCC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000155063760 402243603 /nfs/dbraw/zinc/24/36/03/402243603.db2.gz HAQBRGFYHGKKJO-UHFFFAOYSA-N 1 0 308.223 2.380 10 30 DEEERO COc1ccc(C[NH2+]C2CCN(c3ncccn3)CC2)cc1C#N ZINC000124947180 402205056 /nfs/dbraw/zinc/20/50/56/402205056.db2.gz ORJRGIKLLNWRFF-UHFFFAOYSA-N 1 0 323.400 2.115 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])NC2CCCCC2)C12CCOCC2 ZINC000184646568 402288165 /nfs/dbraw/zinc/28/81/65/402288165.db2.gz HQHXKNWKXPGLEL-HUUCEWRRSA-N 1 0 309.454 2.198 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000185108648 402325426 /nfs/dbraw/zinc/32/54/26/402325426.db2.gz IKDYVZXHAUKLOO-CQSZACIVSA-N 1 0 302.422 2.374 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000185480363 402355703 /nfs/dbraw/zinc/35/57/03/402355703.db2.gz PGTGTRZZXIOSDK-CQSZACIVSA-N 1 0 303.406 2.341 10 30 DEEERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000160708643 402358125 /nfs/dbraw/zinc/35/81/25/402358125.db2.gz UBLAGVBSSQUNHE-JKSUJKDBSA-N 1 0 300.406 2.377 10 30 DEEERO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000159841278 402331809 /nfs/dbraw/zinc/33/18/09/402331809.db2.gz JNRUDWUBNDTBLQ-INIZCTEOSA-N 1 0 320.462 2.204 10 30 DEEERO N#Cc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(F)c1 ZINC000170936125 402543232 /nfs/dbraw/zinc/54/32/32/402543232.db2.gz JRAKYYZYIZDBDL-HNNXBMFYSA-N 1 0 316.380 2.077 10 30 DEEERO C=CC[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000189641126 402549323 /nfs/dbraw/zinc/54/93/23/402549323.db2.gz MOECVMFBWHZRLK-IRXDYDNUSA-N 1 0 302.418 2.135 10 30 DEEERO C=CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000246904004 402549304 /nfs/dbraw/zinc/54/93/04/402549304.db2.gz RNTHIEPDCYZARB-DLBZAZTESA-N 1 0 322.497 2.151 10 30 DEEERO C[C@H]1CN(CC#Cc2ccc(Cl)cc2)CC[N@@H+]1CC(C)(C)O ZINC000189895371 402565641 /nfs/dbraw/zinc/56/56/41/402565641.db2.gz DTTDAWRFXZGEBG-HNNXBMFYSA-N 1 0 320.864 2.469 10 30 DEEERO C[C@@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000188300271 402518843 /nfs/dbraw/zinc/51/88/43/402518843.db2.gz RAYLKAJVWIJTLF-CZUORRHYSA-N 1 0 309.413 2.331 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246370634 402527492 /nfs/dbraw/zinc/52/74/92/402527492.db2.gz AHLHZOITNZWKBU-NUEKZKHPSA-N 1 0 315.417 2.315 10 30 DEEERO C#CCOC[C@H](O)C[N@@H+](Cc1ccc(C)s1)C[C@H]1CCCO1 ZINC000248134160 402583544 /nfs/dbraw/zinc/58/35/44/402583544.db2.gz ZSQHDMSYINSOHY-HZPDHXFCSA-N 1 0 323.458 2.048 10 30 DEEERO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCSC3)C2=O)cc1 ZINC000190614578 402613843 /nfs/dbraw/zinc/61/38/43/402613843.db2.gz QIBZBMHKCLBSAV-JKSUJKDBSA-N 1 0 315.442 2.144 10 30 DEEERO C=CCS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000272968824 402962126 /nfs/dbraw/zinc/96/21/26/402962126.db2.gz RHXYJZOCGTUZTE-UHFFFAOYSA-N 1 0 303.811 2.044 10 30 DEEERO N#Cc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2n1 ZINC000301539092 403644228 /nfs/dbraw/zinc/64/42/28/403644228.db2.gz JLIUDNNYOUMIDE-HNNXBMFYSA-N 1 0 322.412 2.265 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000343869287 403769018 /nfs/dbraw/zinc/76/90/18/403769018.db2.gz TWQQUHYSQBSONA-VQIMIIECSA-N 1 0 316.445 2.342 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000288198196 403740433 /nfs/dbraw/zinc/74/04/33/403740433.db2.gz PIOIPXYGTICMME-GOSISDBHSA-N 1 0 313.445 2.357 10 30 DEEERO C=CCC[C@@H](O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000305059417 403814083 /nfs/dbraw/zinc/81/40/83/403814083.db2.gz GCYAOFAPWDUNRQ-GOSISDBHSA-N 1 0 316.445 2.342 10 30 DEEERO C[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@H]1[NH3+] ZINC000333752639 403845206 /nfs/dbraw/zinc/84/52/06/403845206.db2.gz ZHAPHEJVEOGJGN-MLGOLLRUSA-N 1 0 309.417 2.267 10 30 DEEERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C(=O)NC)C12CCOCC2 ZINC000329944995 286397799 /nfs/dbraw/zinc/39/77/99/286397799.db2.gz ITQOHLBIQBSQSM-LJISPDSOSA-N 1 0 310.438 2.305 10 30 DEEERO C=CCOCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000354814807 404031125 /nfs/dbraw/zinc/03/11/25/404031125.db2.gz QPQAGIKIXVRFAL-KRWDZBQOSA-N 1 0 302.418 2.360 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000363735913 404220067 /nfs/dbraw/zinc/22/00/67/404220067.db2.gz LQMSZBBVJKBZCM-DOTOQJQBSA-N 1 0 315.373 2.109 10 30 DEEERO Cc1nn(C)c(C)c1NC(=O)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000329508074 404360363 /nfs/dbraw/zinc/36/03/63/404360363.db2.gz AWQAXIRJAFFJCZ-DOMZBBRYSA-N 1 0 319.453 2.184 10 30 DEEERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329516628 404363080 /nfs/dbraw/zinc/36/30/80/404363080.db2.gz MUYKKYMYKPELAM-ZJIFWQFVSA-N 1 0 310.438 2.259 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](CCO)CC1CC1 ZINC000352458478 404383774 /nfs/dbraw/zinc/38/37/74/404383774.db2.gz KZDVVWWCAYNXGS-CQSZACIVSA-N 1 0 322.474 2.356 10 30 DEEERO C=CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000351076243 404510539 /nfs/dbraw/zinc/51/05/39/404510539.db2.gz SBUHTWUKWBBTLP-AWEZNQCLSA-N 1 0 312.421 2.132 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000297780382 404619889 /nfs/dbraw/zinc/61/98/89/404619889.db2.gz WVDZOJMUCCAVEI-MAUKXSAKSA-N 1 0 311.429 2.436 10 30 DEEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000374063523 404683138 /nfs/dbraw/zinc/68/31/38/404683138.db2.gz BVYKYGWMUKTIMB-RNJTYBCJSA-N 1 0 300.402 2.481 10 30 DEEERO C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000357276961 404731911 /nfs/dbraw/zinc/73/19/11/404731911.db2.gz SGUVORSVKAWDNB-ZMSDIMECSA-N 1 0 319.449 2.222 10 30 DEEERO CC1(C)CN(Cc2cccc(C#N)c2F)C[C@]2(CCOC2)O1 ZINC000361524151 405115419 /nfs/dbraw/zinc/11/54/19/405115419.db2.gz JJOAHBHVOVXXLJ-KRWDZBQOSA-N 1 0 304.365 2.467 10 30 DEEERO C=CCC1(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCOCC1 ZINC000424692359 405150717 /nfs/dbraw/zinc/15/07/17/405150717.db2.gz WNSCLFCBBTZOIK-MRXNPFEDSA-N 1 0 306.450 2.304 10 30 DEEERO C=CCC1(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)CCOCC1 ZINC000424852715 405196739 /nfs/dbraw/zinc/19/67/39/405196739.db2.gz OVDFYAQKSMSWEH-OAHLLOKOSA-N 1 0 306.450 2.302 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)CCC[NH3+] ZINC000418694957 405170176 /nfs/dbraw/zinc/17/01/76/405170176.db2.gz WYPLLUPCGVTTIR-CYBMUJFWSA-N 1 0 320.393 2.420 10 30 DEEERO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419156939 405225215 /nfs/dbraw/zinc/22/52/15/405225215.db2.gz UFUKKRVQMIEWQZ-KBPBESRZSA-N 1 0 317.433 2.184 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000448606086 405426549 /nfs/dbraw/zinc/42/65/49/405426549.db2.gz SUJJUJCFTPIJOU-UHFFFAOYSA-N 1 0 310.401 2.149 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000454532416 405359602 /nfs/dbraw/zinc/35/96/02/405359602.db2.gz CDRXKLYXSGJDOQ-DOTOQJQBSA-N 1 0 323.481 2.387 10 30 DEEERO CC[NH+](CC)CC1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000448827105 405452873 /nfs/dbraw/zinc/45/28/73/405452873.db2.gz XFLSFDZUELDNNQ-UHFFFAOYSA-N 1 0 302.422 2.091 10 30 DEEERO C[C@H](CNC(=O)c1ccc(C#N)n1C)[N@H+](C)Cc1ccccc1 ZINC000448953101 405470593 /nfs/dbraw/zinc/47/05/93/405470593.db2.gz GWPUCSYSPAYXLC-CQSZACIVSA-N 1 0 310.401 2.147 10 30 DEEERO C=CCc1cc(CN2CC[NH2+]C[C@H]2C(F)F)cc(OC)c1O ZINC000580563841 405645868 /nfs/dbraw/zinc/64/58/68/405645868.db2.gz DYBYELJLHPJSCK-ZDUSSCGKSA-N 1 0 312.360 2.168 10 30 DEEERO C=CCC(CC=C)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638782173 405665693 /nfs/dbraw/zinc/66/56/93/405665693.db2.gz OXFVHGQFHOAMGK-QGZVFWFLSA-N 1 0 306.450 2.372 10 30 DEEERO C=CC[C@]1(C(=O)NCc2ccc(C(C)(C)C)[nH]c2=O)CCC[NH2+]1 ZINC000638852677 405715872 /nfs/dbraw/zinc/71/58/72/405715872.db2.gz MHCGDRHSQXANPB-GOSISDBHSA-N 1 0 317.433 2.399 10 30 DEEERO C=CCOc1cccnc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636097635 405737634 /nfs/dbraw/zinc/73/76/34/405737634.db2.gz HHZWUEZRCKWGIM-OKILXGFUSA-N 1 0 301.390 2.003 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000584167324 405838413 /nfs/dbraw/zinc/83/84/13/405838413.db2.gz WIMQNUNOXIIOHV-RCBQFDQVSA-N 1 0 302.353 2.214 10 30 DEEERO C=CC[C@H]1CCN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000636885608 406113314 /nfs/dbraw/zinc/11/33/14/406113314.db2.gz YTIXCEQEDPYGRT-INIZCTEOSA-N 1 0 323.481 2.483 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000633040082 406360568 /nfs/dbraw/zinc/36/05/68/406360568.db2.gz GLPPHPOBVUJEHA-SJORKVTESA-N 1 0 321.465 2.284 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000637620252 406368164 /nfs/dbraw/zinc/36/81/64/406368164.db2.gz AVKGFPIVUFZZBJ-GJZGRUSLSA-N 1 0 311.470 2.075 10 30 DEEERO C=CC[C@]1(C(=O)N2CCO[C@H](c3cccs3)C2)CCC[NH2+]1 ZINC000637961419 406497159 /nfs/dbraw/zinc/49/71/59/406497159.db2.gz YZHRNOANWOYJQD-XJKSGUPXSA-N 1 0 306.431 2.346 10 30 DEEERO N#CCCN(C(=O)c1ccc(C#CC[NH3+])c(Cl)c1)C1CC1 ZINC000129086685 196018414 /nfs/dbraw/zinc/01/84/14/196018414.db2.gz FOLPKUDSFMYWIJ-UHFFFAOYSA-N 1 0 301.777 2.168 10 30 DEEERO CCN(C(=O)c1ccc(C#CC[NH3+])c(Cl)c1)[C@H](C)COC ZINC000129092210 196018443 /nfs/dbraw/zinc/01/84/43/196018443.db2.gz XIAONKHRUKCEON-GFCCVEGCSA-N 1 0 308.809 2.147 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NCCc2cscn2)cc1Cl ZINC000129156701 196025101 /nfs/dbraw/zinc/02/51/01/196025101.db2.gz KKAKCNODFHYVAE-UHFFFAOYSA-N 1 0 319.817 2.079 10 30 DEEERO N#Cc1cc(Cl)ccc1N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC000130865974 196117436 /nfs/dbraw/zinc/11/74/36/196117436.db2.gz NKKDRPFLZBRFDQ-HNNXBMFYSA-N 1 0 304.825 2.213 10 30 DEEERO CC[C@H](CSC)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000132617160 196270545 /nfs/dbraw/zinc/27/05/45/196270545.db2.gz XUFHNDORVBGAMA-CYBMUJFWSA-N 1 0 312.460 2.063 10 30 DEEERO C[C@H](C[C@H]1COCC[NH2+]1)Nc1ccc(Br)cc1C#N ZINC000134162448 196366961 /nfs/dbraw/zinc/36/69/61/196366961.db2.gz KEHSIVUUHBAJGC-MFKMUULPSA-N 1 0 324.222 2.500 10 30 DEEERO C=CCCCN(C)S(=O)(=O)c1ccc(Cl)c(C[NH3+])c1 ZINC000136052816 196517809 /nfs/dbraw/zinc/51/78/09/196517809.db2.gz DZWGWLPIDBHWRX-UHFFFAOYSA-N 1 0 302.827 2.385 10 30 DEEERO N#CCCCOc1cccc(C[NH2+]CCCN2CCCC2=O)c1 ZINC000238050297 225213210 /nfs/dbraw/zinc/21/32/10/225213210.db2.gz UFXDTEYLPVJWHS-UHFFFAOYSA-N 1 0 315.417 2.471 10 30 DEEERO [NH2+]=C(NC[C@H](O)c1cc2ccccc2s1)NC[C@@H]1CCCO1 ZINC000262397765 225270705 /nfs/dbraw/zinc/27/07/05/225270705.db2.gz NFCOLAUKNDKWBN-STQMWFEESA-N 1 0 319.430 2.018 10 30 DEEERO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000262855856 225287570 /nfs/dbraw/zinc/28/75/70/225287570.db2.gz YBHXABPPTLWSFS-GZBFAFLISA-N 1 0 317.389 2.142 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000333739556 226109891 /nfs/dbraw/zinc/10/98/91/226109891.db2.gz IRAATVPBVQGDEI-BPUTZDHNSA-N 1 0 304.438 2.242 10 30 DEEERO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccn1C ZINC000195149705 424880800 /nfs/dbraw/zinc/88/08/00/424880800.db2.gz BWBWTBHBTXOXIY-UHFFFAOYSA-N 1 0 324.428 2.409 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(NCC3CC3)nc2)C1 ZINC000328731589 424901411 /nfs/dbraw/zinc/90/14/11/424901411.db2.gz WZHZRPJCZLHTQU-HNNXBMFYSA-N 1 0 302.422 2.692 10 30 DEEERO C[N@@H+]1CCC[C@H](CNc2cc(C#N)ncn2)[C@H]1c1cccs1 ZINC000584328953 424989477 /nfs/dbraw/zinc/98/94/77/424989477.db2.gz YVBPLSLQLOFKKP-WBMJQRKESA-N 1 0 313.430 2.905 10 30 DEEERO C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328617590 274310207 /nfs/dbraw/zinc/31/02/07/274310207.db2.gz CWDBMHONGHIPJS-OEAJRASXSA-N 1 0 303.406 2.456 10 30 DEEERO CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1CCC[C@@H]1C#N ZINC000262463100 276095804 /nfs/dbraw/zinc/09/58/04/276095804.db2.gz XWSIFYSLEUYYEI-AIANPOQGSA-N 1 0 306.454 2.175 10 30 DEEERO CC(C)CN(C(=O)c1ccc(C#N)n1C)C1CC[NH+](C)CC1 ZINC000448976865 278822940 /nfs/dbraw/zinc/82/29/40/278822940.db2.gz PKDQEDFWUNXPLG-UHFFFAOYSA-N 1 0 302.422 2.089 10 30 DEEERO C=CCCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000569329740 331703166 /nfs/dbraw/zinc/70/31/66/331703166.db2.gz MVDYNEFTZGATNA-CVEARBPZSA-N 1 0 309.454 2.020 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000563064009 333245076 /nfs/dbraw/zinc/24/50/76/333245076.db2.gz KNRQJGZOGCVPDI-WFASDCNBSA-N 1 0 303.362 2.107 10 30 DEEERO C=CCOC[C@H](O)C[NH2+]CCOc1ccc2ccccc2c1 ZINC000584627867 337376249 /nfs/dbraw/zinc/37/62/49/337376249.db2.gz MZKXPNZNXFYZTE-QGZVFWFLSA-N 1 0 301.386 2.372 10 30 DEEERO CSCc1cc(F)ccc1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262465916 533832536 /nfs/dbraw/zinc/83/25/36/533832536.db2.gz NPOQQCWQJGCGRK-NSHDSACASA-N 1 0 311.426 2.224 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCc2sccc2Br)CCO1 ZINC000262437207 534271891 /nfs/dbraw/zinc/27/18/91/534271891.db2.gz GPTALLBBJATUGN-MRVPVSSYSA-N 1 0 318.240 2.046 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCc2ccsc2Br)CCO1 ZINC000261682730 534271953 /nfs/dbraw/zinc/27/19/53/534271953.db2.gz HBJXJWODJGJWKA-MRVPVSSYSA-N 1 0 318.240 2.046 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000459047384 534565973 /nfs/dbraw/zinc/56/59/73/534565973.db2.gz SYZHJCIKUJLBPX-SJORKVTESA-N 1 0 321.465 2.237 10 30 DEEERO N#CC1CCC(CNC(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000333838107 534579291 /nfs/dbraw/zinc/57/92/91/534579291.db2.gz UORZRDFUYYDKDF-UHFFFAOYSA-N 1 0 318.465 2.490 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000246470533 521718127 /nfs/dbraw/zinc/71/81/27/521718127.db2.gz PXYZELVKIIQBNN-YOEHRIQHSA-N 1 0 314.433 2.430 10 30 DEEERO CC(C)(C)NC(=[NH2+])NCc1cn2cc(Br)ccc2n1 ZINC000261980755 526282767 /nfs/dbraw/zinc/28/27/67/526282767.db2.gz HXFSTKSTCZJFSM-UHFFFAOYSA-N 1 0 324.226 2.300 10 30 DEEERO C=CCN(CCc1ccccc1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418583238 526311249 /nfs/dbraw/zinc/31/12/49/526311249.db2.gz AUIRYOAYKMFJDK-WBVHZDCISA-N 1 0 301.434 2.425 10 30 DEEERO C[NH+]=C(NCCN(C)CC(F)(F)F)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261616631 526354105 /nfs/dbraw/zinc/35/41/05/526354105.db2.gz AWWRQWBFJCIATO-STQMWFEESA-N 1 0 320.403 2.178 10 30 DEEERO C[NH+]=C(NCc1cc(F)cc2c1OCOC2)NC1CCCC1 ZINC000263272861 526381375 /nfs/dbraw/zinc/38/13/75/526381375.db2.gz XMSZTNTUAMBVFP-UHFFFAOYSA-N 1 0 307.369 2.300 10 30 DEEERO C[NH+]=C(NCc1nc(C)no1)N[C@H](C)c1ccc(C)c(F)c1 ZINC000261950697 526389918 /nfs/dbraw/zinc/38/99/18/526389918.db2.gz HHKZTYZYVIFOKK-SNVBAGLBSA-N 1 0 305.357 2.252 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368427599 526693906 /nfs/dbraw/zinc/69/39/06/526693906.db2.gz XKYXKTHROOEJNG-QGZVFWFLSA-N 1 0 321.509 2.465 10 30 DEEERO C#CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000372203523 526713497 /nfs/dbraw/zinc/71/34/97/526713497.db2.gz CGNSTSXNMAEMMT-HOTGVXAUSA-N 1 0 303.381 2.284 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000361665405 526872062 /nfs/dbraw/zinc/87/20/62/526872062.db2.gz WRRZPFMPQVNROK-INIZCTEOSA-N 1 0 300.402 2.448 10 30 DEEERO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000418169473 526880054 /nfs/dbraw/zinc/88/00/54/526880054.db2.gz PYQVMQSUFXNIII-XJKSGUPXSA-N 1 0 303.406 2.049 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000417596192 526944761 /nfs/dbraw/zinc/94/47/61/526944761.db2.gz KWFQBPREYRBLRS-HIFRSBDPSA-N 1 0 303.406 2.049 10 30 DEEERO C#CCOc1ccc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1 ZINC000246779630 527100539 /nfs/dbraw/zinc/10/05/39/527100539.db2.gz QDLVHRSHHNRXCC-CEXWTWQISA-N 1 0 315.413 2.467 10 30 DEEERO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415197350 527144228 /nfs/dbraw/zinc/14/42/28/527144228.db2.gz CSVKLLOULQMKBU-AWEZNQCLSA-N 1 0 303.406 2.206 10 30 DEEERO C=CCCCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000448031507 527217586 /nfs/dbraw/zinc/21/75/86/527217586.db2.gz QWBCMXAAYSSXNO-UHFFFAOYSA-N 1 0 323.481 2.487 10 30 DEEERO C=CCCCNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000448393288 527217746 /nfs/dbraw/zinc/21/77/46/527217746.db2.gz YNOGSTGZFYJSEX-UHFFFAOYSA-N 1 0 322.497 2.153 10 30 DEEERO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](CCC)CC1 ZINC000337913027 527280330 /nfs/dbraw/zinc/28/03/30/527280330.db2.gz QZBZEEYLCNPWEJ-UHFFFAOYSA-N 1 0 301.394 2.256 10 30 DEEERO C#Cc1ccc(C[NH+]2CCC(COC)(C(=O)OCC)CC2)cc1 ZINC000368039127 527433715 /nfs/dbraw/zinc/43/37/15/527433715.db2.gz FHHKMYHZGAPINW-UHFFFAOYSA-N 1 0 315.413 2.460 10 30 DEEERO C=C[C@H]1CCCCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000428048033 527603993 /nfs/dbraw/zinc/60/39/93/527603993.db2.gz HQOOSZDGPSAJCU-HNNXBMFYSA-N 1 0 314.433 2.014 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441280842 527634284 /nfs/dbraw/zinc/63/42/84/527634284.db2.gz DFPDKJZDESEYGB-ULQDDVLXSA-N 1 0 306.450 2.324 10 30 DEEERO CCO[C@@H]1C[C@H](NC(N[C@@H]2CCC[C@@H]2C#N)=[NH+]C)C12CCC2 ZINC000262459304 527905332 /nfs/dbraw/zinc/90/53/32/527905332.db2.gz XEYMUCSQHUFHKN-APIJFGDWSA-N 1 0 304.438 2.191 10 30 DEEERO CC[NH+]=C(NC1CCC1)N[C@@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000262826305 528802583 /nfs/dbraw/zinc/80/25/83/528802583.db2.gz ZULFONKYFCOOFB-DZGCQCFKSA-N 1 0 308.470 2.177 10 30 DEEERO CC[C@@H](C)NC(=[NH2+])NCc1cn2cc(Br)ccc2n1 ZINC000261879589 529349958 /nfs/dbraw/zinc/34/99/58/529349958.db2.gz QPSJIDGRWAIISU-SECBINFHSA-N 1 0 324.226 2.300 10 30 DEEERO C=C(Br)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000175957908 623980855 /nfs/dbraw/zinc/98/08/55/623980855.db2.gz SNCYBLZKRCSDLY-YOGCLGLASA-N 1 0 316.243 2.210 10 30 DEEERO CCN(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)c1ccsc1 ZINC000161500818 625100646 /nfs/dbraw/zinc/10/06/46/625100646.db2.gz OLNNQMHIMCULGA-GJZGRUSLSA-N 1 0 324.494 2.214 10 30 DEEERO C#Cc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)nc1 ZINC000734444663 633371831 /nfs/dbraw/zinc/37/18/31/633371831.db2.gz REWDXEPCMQLHRY-UHFFFAOYSA-N 1 0 311.360 2.194 10 30 DEEERO C=CCCC[N@@H+](CC)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000735491965 633512980 /nfs/dbraw/zinc/51/29/80/633512980.db2.gz RFEWCAOPZULECF-UHFFFAOYSA-N 1 0 303.406 2.402 10 30 DEEERO C#CC[N@H+]1CCC[C@H]1COC(=O)CCc1cccc(N(C)C)c1 ZINC000805876928 643649803 /nfs/dbraw/zinc/64/98/03/643649803.db2.gz URJJUSOEARJHSD-SFHVURJKSA-N 1 0 314.429 2.326 10 30 DEEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000151323914 646335914 /nfs/dbraw/zinc/33/59/14/646335914.db2.gz LFHVCFLPFBIYDY-SFHVURJKSA-N 1 0 323.400 2.195 10 30 DEEERO C[NH+]=C(NCCC1CCCC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000175576737 648353771 /nfs/dbraw/zinc/35/37/71/648353771.db2.gz PFEUMLOZOLTVPM-HNNXBMFYSA-N 1 0 303.454 2.365 10 30 DEEERO CCc1cccc(CC)c1NC(=[NH2+])NCCCn1ccnn1 ZINC000181493369 648675019 /nfs/dbraw/zinc/67/50/19/648675019.db2.gz WTWCSYLVYHBUCO-UHFFFAOYSA-N 1 0 300.410 2.220 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(C(=O)OC)cc1 ZINC000121386071 649336976 /nfs/dbraw/zinc/33/69/76/649336976.db2.gz ONOXGROZHODZCR-AWEZNQCLSA-N 1 0 317.385 2.364 10 30 DEEERO CC1CCN(C(=[NH2+])NCc2cccc3c2OCCCO3)CC1 ZINC000305107754 685275085 /nfs/dbraw/zinc/27/50/85/685275085.db2.gz FRXSAZGMVXRZHX-UHFFFAOYSA-N 1 0 303.406 2.395 10 30 DEEERO CC(C)[C@H](C)CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120933 684019111 /nfs/dbraw/zinc/01/91/11/684019111.db2.gz JEANGJREVBHPRK-KGLIPLIRSA-N 1 0 324.469 2.159 10 30 DEEERO C=CCC[C@@H](O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119036319 684076305 /nfs/dbraw/zinc/07/63/05/684076305.db2.gz RVENQJDYFUWQBN-IUODEOHRSA-N 1 0 312.435 2.036 10 30 DEEERO C[NH+](C)Cc1cc(O[C@H]2CCN(c3ncccc3C#N)C2)ccn1 ZINC000886028014 691987419 /nfs/dbraw/zinc/98/74/19/691987419.db2.gz PCCATUYLDHPVHP-KRWDZBQOSA-N 1 0 323.400 2.068 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000716828702 793008716 /nfs/dbraw/zinc/00/87/16/793008716.db2.gz MOJPJBPVNDSITJ-ZNMIVQPWSA-N 1 0 310.438 2.260 10 30 DEEERO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCCC[NH+]1CCCC1 ZINC000800196122 799337978 /nfs/dbraw/zinc/33/79/78/799337978.db2.gz ATDKEPOBUSBROD-QGZVFWFLSA-N 1 0 324.421 2.277 10 30 DEEERO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCC#N)CC2(CCOCC2)C1 ZINC000708048043 1086675937 /nfs/dbraw/zinc/67/59/37/1086675937.db2.gz DACQEKMRUYIEHB-CQSZACIVSA-N 1 0 323.437 2.296 10 30 DEEERO C=CCN(C)S(=O)(=O)c1cc(C)c(F)c(C[NH2+]CC)c1 ZINC000162555373 197574173 /nfs/dbraw/zinc/57/41/73/197574173.db2.gz NDTLUVAWWOJAHX-UHFFFAOYSA-N 1 0 300.399 2.050 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000612597245 361869133 /nfs/dbraw/zinc/86/91/33/361869133.db2.gz JIGZXDOCKDAITP-GFCCVEGCSA-N 1 0 319.357 2.255 10 30 DEEERO CCc1ncc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)o1 ZINC000263133641 529751937 /nfs/dbraw/zinc/75/19/37/529751937.db2.gz NISKDGSBHAWLIA-CYBMUJFWSA-N 1 0 300.362 2.165 10 30 DEEERO C=CCOCCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000371636982 404468076 /nfs/dbraw/zinc/46/80/76/404468076.db2.gz FLWCASAXGQJWHG-QGZVFWFLSA-N 1 0 317.433 2.153 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000625701930 365875471 /nfs/dbraw/zinc/87/54/71/365875471.db2.gz UTWJGRBEDSYRFG-UONOGXRCSA-N 1 0 305.374 2.053 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000625702122 365874488 /nfs/dbraw/zinc/87/44/88/365874488.db2.gz DFDXSPWINJAJIW-RDJZCZTQSA-N 1 0 305.418 2.471 10 30 DEEERO C=CCOc1ccc(CC(=O)N(CC)[C@H]2CC[N@H+](C)C2)cc1 ZINC000617549972 363176346 /nfs/dbraw/zinc/17/63/46/363176346.db2.gz CSRJAUVKSXAVLQ-INIZCTEOSA-N 1 0 302.418 2.347 10 30 DEEERO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)NC1CCCC1 ZINC000329372064 539919633 /nfs/dbraw/zinc/91/96/33/539919633.db2.gz MLGNXWDUIZMRCQ-CQSZACIVSA-N 1 0 307.438 2.220 10 30 DEEERO C=CCN(C(=O)CC[N@@H+]1CCc2ccccc2C1)[C@H](C)COC ZINC000617582680 363196191 /nfs/dbraw/zinc/19/61/91/363196191.db2.gz RZWOQLFNMQOKIS-MRXNPFEDSA-N 1 0 316.445 2.484 10 30 DEEERO COc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1C#N ZINC000174361221 198324151 /nfs/dbraw/zinc/32/41/51/198324151.db2.gz DNAQZHBYQJJOFW-INIZCTEOSA-N 1 0 323.400 2.115 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccccc2OC)CC1 ZINC000057127654 354557287 /nfs/dbraw/zinc/55/72/87/354557287.db2.gz QHUQTCQESRSPNK-AWEZNQCLSA-N 1 0 300.402 2.218 10 30 DEEERO C=CCNC(=O)CN1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC000057861121 354582739 /nfs/dbraw/zinc/58/27/39/354582739.db2.gz LHTIXOYJNKJEJO-QGZVFWFLSA-N 1 0 301.434 2.058 10 30 DEEERO C=CCOc1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000093817331 355689179 /nfs/dbraw/zinc/68/91/79/355689179.db2.gz OPYHPCBXISCLIJ-GOSISDBHSA-N 1 0 316.445 2.406 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185263726 356204207 /nfs/dbraw/zinc/20/42/07/356204207.db2.gz LMTIGOYKCGFKEI-QGZVFWFLSA-N 1 0 317.433 2.019 10 30 DEEERO N#Cc1ccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000261588091 283171522 /nfs/dbraw/zinc/17/15/22/283171522.db2.gz VMDCOVLYPMQXJM-DMDPSCGWSA-N 1 0 306.207 2.494 10 30 DEEERO [NH2+]=C(NC[C@@H]1CC12CCOCC2)N[C@@H]1CCOc2ccccc21 ZINC000262687805 283260622 /nfs/dbraw/zinc/26/06/22/283260622.db2.gz BERMXNSBVYMPDV-DZGCQCFKSA-N 1 0 315.417 2.231 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)C1 ZINC000594232891 358228584 /nfs/dbraw/zinc/22/85/84/358228584.db2.gz XPLRGJBJTVMUEC-DYVFJYSZSA-N 1 0 312.417 2.312 10 30 DEEERO CC(=O)N(C)c1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594442920 358273049 /nfs/dbraw/zinc/27/30/49/358273049.db2.gz CXHPFOYVDHDPDY-OAHLLOKOSA-N 1 0 302.378 2.019 10 30 DEEERO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2cccc(C#N)n2)C1 ZINC000596552184 358711468 /nfs/dbraw/zinc/71/14/68/358711468.db2.gz SOEYGBKXJVQAJE-SFHVURJKSA-N 1 0 321.428 2.181 10 30 DEEERO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC1(CO)CC1 ZINC000186786418 200010182 /nfs/dbraw/zinc/01/01/82/200010182.db2.gz DMMLBOLAJKZBPY-UHFFFAOYSA-N 1 0 321.808 2.245 10 30 DEEERO Cc1oc(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)c(C#N)c1C ZINC000187943079 200180980 /nfs/dbraw/zinc/18/09/80/200180980.db2.gz DYVYNCFBCVAABG-GTNSWQLSSA-N 1 0 319.405 2.190 10 30 DEEERO CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)c2ccccc21 ZINC000600733495 359814274 /nfs/dbraw/zinc/81/42/74/359814274.db2.gz ZNLCVFXQENJBIR-GDBMZVCRSA-N 1 0 313.401 2.129 10 30 DEEERO C=C(C)[C@@H](CC(=O)N1CCC([N@@H+]2CCCOCC2)CC1)OCC ZINC000627740984 366608364 /nfs/dbraw/zinc/60/83/64/366608364.db2.gz MTIZMPFJVFYQKR-QGZVFWFLSA-N 1 0 324.465 2.071 10 30 DEEERO C[C@@H](CO)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619295461 363758735 /nfs/dbraw/zinc/75/87/35/363758735.db2.gz HUZOTJKHZMRYMG-CZUORRHYSA-N 1 0 307.825 2.151 10 30 DEEERO C=CC(C)(C)CCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000628314998 366806006 /nfs/dbraw/zinc/80/60/06/366806006.db2.gz VJQYPPGMOLLVSB-UHFFFAOYSA-N 1 0 316.449 2.166 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000611395760 361591162 /nfs/dbraw/zinc/59/11/62/361591162.db2.gz SUQBFHGAUDFMCC-HNNXBMFYSA-N 1 0 301.390 2.129 10 30 DEEERO C[NH+]1CCC(C)(CNC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000611562305 361632023 /nfs/dbraw/zinc/63/20/23/361632023.db2.gz DUFKKSKDSIYDCU-UHFFFAOYSA-N 1 0 318.396 2.228 10 30 DEEERO C=CCOc1ccc(C(=O)N2C[C@@H](CC)[NH2+][C@@H](C)C2)cc1OC ZINC000620906009 364197847 /nfs/dbraw/zinc/19/78/47/364197847.db2.gz LIWOVEBQDRAQME-DZGCQCFKSA-N 1 0 318.417 2.473 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)COCc2cccc(C)c2)CC1 ZINC000621858940 364563098 /nfs/dbraw/zinc/56/30/98/364563098.db2.gz LPWZRCFBKXGGBV-UHFFFAOYSA-N 1 0 302.418 2.278 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000623628340 365107674 /nfs/dbraw/zinc/10/76/74/365107674.db2.gz IJBUZPSLUDZSEL-HZPDHXFCSA-N 1 0 321.465 2.095 10 30 DEEERO C=CCCN(C)C(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1 ZINC000624587717 365482132 /nfs/dbraw/zinc/48/21/32/365482132.db2.gz TVYSMXYPWWOCAL-MRXNPFEDSA-N 1 0 317.433 2.487 10 30 DEEERO C=C1CC(C)(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000631910401 368455243 /nfs/dbraw/zinc/45/52/43/368455243.db2.gz DMRJJCZJJZMESS-HOTGVXAUSA-N 1 0 306.450 2.227 10 30 DEEERO C#CCOc1ccccc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000093150677 193208433 /nfs/dbraw/zinc/20/84/33/193208433.db2.gz OZLWNLMXPROHGP-UHFFFAOYSA-N 1 0 322.412 2.201 10 30 DEEERO [NH3+]CC#Cc1cccc(O[C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000094408531 193368108 /nfs/dbraw/zinc/36/81/08/193368108.db2.gz WFGXVHRLOXLTNJ-DLBZAZTESA-N 1 0 303.427 2.430 10 30 DEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)c1ccccc1F ZINC000042364922 183258985 /nfs/dbraw/zinc/25/89/85/183258985.db2.gz YEIAIPWNWVCMMV-UHFFFAOYSA-N 1 0 302.374 2.470 10 30 DEEERO CC(C)C[C@@H](C)N(C)S(=O)(=O)c1ccc(C#CC[NH3+])cc1 ZINC000042598209 183289775 /nfs/dbraw/zinc/28/97/75/183289775.db2.gz LCIZURFIGXZYLF-CQSZACIVSA-N 1 0 308.447 2.052 10 30 DEEERO CC[C@H]1CN(Cc2ccc(F)c(C#N)c2)CC[N@@H+]1CCOC ZINC000120028851 195084168 /nfs/dbraw/zinc/08/41/68/195084168.db2.gz WVFYUTGTYUQVFV-INIZCTEOSA-N 1 0 305.397 2.240 10 30 DEEERO Cc1cc(C(=O)N2CCSC(C)(C)C2)ccc1C#CC[NH3+] ZINC000159027818 197320031 /nfs/dbraw/zinc/32/00/31/197320031.db2.gz SGBOPXWAMASJJE-UHFFFAOYSA-N 1 0 302.443 2.273 10 30 DEEERO CN1CCN([C@@H]2CCCC[N@H+](CCCC(C)(C)C#N)C2)CC1 ZINC000158988009 197316928 /nfs/dbraw/zinc/31/69/28/197316928.db2.gz AAQBLOPMNBSAHE-QGZVFWFLSA-N 1 0 306.498 2.418 10 30 DEEERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC000158430065 197272231 /nfs/dbraw/zinc/27/22/31/197272231.db2.gz ACFFGPIUWLXLAY-KURKYZTESA-N 1 0 316.401 2.205 10 30 DEEERO CC[C@@H]1C[N@H+](Cc2cc(C#CCO)ccc2OC)CCS1 ZINC000158029931 197236814 /nfs/dbraw/zinc/23/68/14/197236814.db2.gz BCKCITPOOOUJHN-MRXNPFEDSA-N 1 0 305.443 2.366 10 30 DEEERO CC[C@H]1CN(C(=O)c2ccc(C#CC[NH3+])c(F)c2)CCS1 ZINC000157982121 197233107 /nfs/dbraw/zinc/23/31/07/197233107.db2.gz NTFDRXDBNFEZGO-AWEZNQCLSA-N 1 0 306.406 2.104 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(C#N)cc2)C1 ZINC000157456237 197188991 /nfs/dbraw/zinc/18/89/91/197188991.db2.gz FTITXTWMLREQPB-CJNGLKHVSA-N 1 0 300.406 2.086 10 30 DEEERO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000156742308 197138007 /nfs/dbraw/zinc/13/80/07/197138007.db2.gz UZXHTMKGDWRGGS-OAHLLOKOSA-N 1 0 311.389 2.071 10 30 DEEERO CN(Cc1ccccc1C#CC[NH3+])C(=O)[C@H]1CCCCS1 ZINC000156280014 197100744 /nfs/dbraw/zinc/10/07/44/197100744.db2.gz TZSGPVUZAXMBLP-MRXNPFEDSA-N 1 0 302.443 2.241 10 30 DEEERO C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)Oc1cccc(Cl)c1 ZINC000262428486 533360103 /nfs/dbraw/zinc/36/01/03/533360103.db2.gz DFXKZWHNDPRZSY-RYUDHWBXSA-N 1 0 311.813 2.143 10 30 DEEERO C[C@H]([NH2+]CCN1CCOCC1(C)C)c1ccc(C#N)cc1F ZINC000358564885 147157436 /nfs/dbraw/zinc/15/74/36/147157436.db2.gz XXEAVAHSZXFVNG-ZDUSSCGKSA-N 1 0 305.397 2.459 10 30 DEEERO C#CCCN1CCN(Cc2nc(-c3cccc(C)c3)no2)CC1 ZINC000127413176 401734157 /nfs/dbraw/zinc/73/41/57/401734157.db2.gz DGPVEOCXXDVBEF-UHFFFAOYSA-N 1 0 310.401 2.186 10 30 DEEERO C=CCCC[N@@H+](C)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000076737692 401799724 /nfs/dbraw/zinc/79/97/24/401799724.db2.gz RQEHTMNDCORGDW-UHFFFAOYSA-N 1 0 318.377 2.010 10 30 DEEERO N#Cc1cccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128673930 401787478 /nfs/dbraw/zinc/78/74/78/401787478.db2.gz XOEPLQLSZDEDSC-SJORKVTESA-N 1 0 323.400 2.467 10 30 DEEERO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)C[C@@H]1CCCO1 ZINC000076298090 401789221 /nfs/dbraw/zinc/78/92/21/401789221.db2.gz ASQKNQVHEUOIMI-NDUQDZPOSA-N 1 0 321.465 2.417 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115443353 401828311 /nfs/dbraw/zinc/82/83/11/401828311.db2.gz PVTYBLXAESPGGX-HUUCEWRRSA-N 1 0 315.417 2.126 10 30 DEEERO Cc1ccc(OCC[N@@H+](C)CCC(=O)N(C)CCC#N)cc1 ZINC000131000633 401842301 /nfs/dbraw/zinc/84/23/01/401842301.db2.gz PRWITJQHMZOUCI-UHFFFAOYSA-N 1 0 303.406 2.068 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152252168 402084850 /nfs/dbraw/zinc/08/48/50/402084850.db2.gz GPGXHEHYRNBTEP-RDJZCZTQSA-N 1 0 315.417 2.124 10 30 DEEERO CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000329904375 404490098 /nfs/dbraw/zinc/49/00/98/404490098.db2.gz QZGZXAFJKYOTOF-QWHCGFSZSA-N 1 0 313.467 2.127 10 30 DEEERO CCCC(=O)N[C@H]1CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000101563247 402148858 /nfs/dbraw/zinc/14/88/58/402148858.db2.gz RCSWAFWCPVQESR-INIZCTEOSA-N 1 0 315.417 2.318 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000124713447 402193549 /nfs/dbraw/zinc/19/35/49/402193549.db2.gz GAQDRLPAZOKGCL-ZJUUUORDSA-N 1 0 311.332 2.016 10 30 DEEERO CC(C)[N@H+]1C[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000155579247 402261676 /nfs/dbraw/zinc/26/16/76/402261676.db2.gz YIUMOACQUBHIBY-BBRMVZONSA-N 1 0 317.458 2.495 10 30 DEEERO C=CCOc1cccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000106380858 402213101 /nfs/dbraw/zinc/21/31/01/402213101.db2.gz PQPQPCHXUCEZGX-GOSISDBHSA-N 1 0 302.418 2.204 10 30 DEEERO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1ccc(C#N)s1)CC2 ZINC000176959502 402354765 /nfs/dbraw/zinc/35/47/65/402354765.db2.gz MOAVNCNKPYJSLK-NSHDSACASA-N 1 0 301.419 2.439 10 30 DEEERO CCOCC[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177130640 402372957 /nfs/dbraw/zinc/37/29/57/402372957.db2.gz QWRCBCXDPDQNPP-UHFFFAOYSA-N 1 0 306.837 2.346 10 30 DEEERO NC(=O)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177227803 402383529 /nfs/dbraw/zinc/38/35/29/402383529.db2.gz VRSKOKLHDAVHKV-UHFFFAOYSA-N 1 0 310.319 2.254 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000185154642 402328838 /nfs/dbraw/zinc/32/88/38/402328838.db2.gz JYVQGZUCWBPJMM-HNNXBMFYSA-N 1 0 316.449 2.052 10 30 DEEERO N#Cc1cnc(NC2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000185173634 402330794 /nfs/dbraw/zinc/33/07/94/402330794.db2.gz UNBOAVWKRMARAS-UHFFFAOYSA-N 1 0 307.401 2.467 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(C#N)cc1 ZINC000177371690 402395660 /nfs/dbraw/zinc/39/56/60/402395660.db2.gz CJIKYBWNVIMNDW-MRXNPFEDSA-N 1 0 300.406 2.184 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245419080 402458496 /nfs/dbraw/zinc/45/84/96/402458496.db2.gz GVNPVVKNSYWIOP-YOEHRIQHSA-N 1 0 314.433 2.159 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2cc(F)ccc2C#N)C[C@H]1C ZINC000247383598 402565731 /nfs/dbraw/zinc/56/57/31/402565731.db2.gz ICPHZJUHTIGORA-CQSZACIVSA-N 1 0 305.397 2.240 10 30 DEEERO C=CCc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000170857384 402533577 /nfs/dbraw/zinc/53/35/77/402533577.db2.gz YALZIEHNUVLIBC-HNNXBMFYSA-N 1 0 318.417 2.208 10 30 DEEERO C#CCSCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179176214 402578372 /nfs/dbraw/zinc/57/83/72/402578372.db2.gz ZLFWVORUZKHSKZ-HOTGVXAUSA-N 1 0 317.458 2.097 10 30 DEEERO C#CCOc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000172114250 402641019 /nfs/dbraw/zinc/64/10/19/402641019.db2.gz WTKKPDJEJPWPFA-QGZVFWFLSA-N 1 0 322.412 2.247 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000182832761 402720291 /nfs/dbraw/zinc/72/02/91/402720291.db2.gz QPEOYFAHFWDSHW-DLBZAZTESA-N 1 0 319.449 2.306 10 30 DEEERO COc1ccc(C[NH2+]Cc2cccnc2-n2ccnc2)cc1C#N ZINC000174263884 402734405 /nfs/dbraw/zinc/73/44/05/402734405.db2.gz DBYWATWOZDHGEC-UHFFFAOYSA-N 1 0 319.368 2.437 10 30 DEEERO CCC[N@H+](CC)CCNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000174653659 402750668 /nfs/dbraw/zinc/75/06/68/402750668.db2.gz NKDKZIFJQPRNFU-CQSZACIVSA-N 1 0 303.406 2.174 10 30 DEEERO CCC[N@H+](CC)CCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000174653674 402750725 /nfs/dbraw/zinc/75/07/25/402750725.db2.gz NKDKZIFJQPRNFU-AWEZNQCLSA-N 1 0 303.406 2.174 10 30 DEEERO C[N@@H+]1CCC[C@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000194697497 402811150 /nfs/dbraw/zinc/81/11/50/402811150.db2.gz PXDREIKXRGDXBZ-HNNXBMFYSA-N 1 0 303.431 2.002 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000273479452 403008623 /nfs/dbraw/zinc/00/86/23/403008623.db2.gz UARIUEWHVQFUGX-UKRRQHHQSA-N 1 0 300.406 2.472 10 30 DEEERO C=C(C)CC[N@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000274816189 403091088 /nfs/dbraw/zinc/09/10/88/403091088.db2.gz WTARWIDCNNLGFO-AWEZNQCLSA-N 1 0 308.426 2.251 10 30 DEEERO C=CCCS(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268809080 403116022 /nfs/dbraw/zinc/11/60/22/403116022.db2.gz SPFSAMYVRWMXEG-MRXNPFEDSA-N 1 0 308.447 2.099 10 30 DEEERO C#CCC(CC#C)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000277476543 403221408 /nfs/dbraw/zinc/22/14/08/403221408.db2.gz PZLWSFXWWRBNGJ-UHFFFAOYSA-N 1 0 308.425 2.384 10 30 DEEERO N#Cc1ccnc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000283778369 403222784 /nfs/dbraw/zinc/22/27/84/403222784.db2.gz SLRZZBZZUIMNAO-YOEHRIQHSA-N 1 0 310.401 2.042 10 30 DEEERO C=CCOc1cccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1 ZINC000284209194 403254242 /nfs/dbraw/zinc/25/42/42/403254242.db2.gz ZKCGMJSVSAXKFP-NVXWUHKLSA-N 1 0 307.434 2.499 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](CC)CC1 ZINC000286773698 403544750 /nfs/dbraw/zinc/54/47/50/403544750.db2.gz SYMZNWPELARWTK-GOSISDBHSA-N 1 0 313.445 2.405 10 30 DEEERO C=CC[C@@H](CO)C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000346625563 403595843 /nfs/dbraw/zinc/59/58/43/403595843.db2.gz PYCOLUJWBGCBCX-DYVFJYSZSA-N 1 0 301.365 2.479 10 30 DEEERO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000347254489 403638780 /nfs/dbraw/zinc/63/87/80/403638780.db2.gz IBTGXKDSXMEPIT-UAGQMJEPSA-N 1 0 300.402 2.337 10 30 DEEERO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(-n3ccnc3)cs2)C1=O ZINC000343624562 403667548 /nfs/dbraw/zinc/66/75/48/403667548.db2.gz QDMIANABQLLYBR-OAHLLOKOSA-N 1 0 316.430 2.153 10 30 DEEERO C[C@H]1CCC[N@@H+]1C1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000301808613 403682611 /nfs/dbraw/zinc/68/26/11/403682611.db2.gz YOZVEVZZAJZNSS-LBPRGKRZSA-N 1 0 315.377 2.315 10 30 DEEERO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)c1ccco1 ZINC000302740959 403719089 /nfs/dbraw/zinc/71/90/89/403719089.db2.gz RBGUGLVYCLRJMS-GFCCVEGCSA-N 1 0 301.306 2.169 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@]2(CC(=O)OC)CCOC2)cc1 ZINC000361740800 403835908 /nfs/dbraw/zinc/83/59/08/403835908.db2.gz LWEQJIBWGGERLM-KRWDZBQOSA-N 1 0 305.374 2.063 10 30 DEEERO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000347746106 403840925 /nfs/dbraw/zinc/84/09/25/403840925.db2.gz DUBPYUISXCKLPK-USXIJHARSA-N 1 0 317.433 2.058 10 30 DEEERO CC(=O)Nc1ccn([C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)n1 ZINC000328626160 404116904 /nfs/dbraw/zinc/11/69/04/404116904.db2.gz LKVRMAGNXILXNT-HZPDHXFCSA-N 1 0 314.389 2.471 10 30 DEEERO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H](n2cccn2)C1 ZINC000328787838 404151596 /nfs/dbraw/zinc/15/15/96/404151596.db2.gz XHIGMXNHJPMUKD-ILXRZTDVSA-N 1 0 306.410 2.044 10 30 DEEERO C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000328968623 404184431 /nfs/dbraw/zinc/18/44/31/404184431.db2.gz NUNGVKVHDPJWEO-LXTVHRRPSA-N 1 0 301.390 2.047 10 30 DEEERO C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000352251790 404246442 /nfs/dbraw/zinc/24/64/42/404246442.db2.gz RAECWLUHJCTFTR-HRCADAONSA-N 1 0 323.481 2.036 10 30 DEEERO C=CCC[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)C(=O)OCC ZINC000412401243 404284609 /nfs/dbraw/zinc/28/46/09/404284609.db2.gz XJJSDEFMIASBDL-CABCVRRESA-N 1 0 310.438 2.265 10 30 DEEERO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCCCO1 ZINC000329442864 404338746 /nfs/dbraw/zinc/33/87/46/404338746.db2.gz KJUWWPUEGXJWAC-IXIBIKRGSA-N 1 0 309.454 2.463 10 30 DEEERO C#CCCOc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1 ZINC000296556459 404303703 /nfs/dbraw/zinc/30/37/03/404303703.db2.gz PEEUXMMTUGQBNR-GASCZTMLSA-N 1 0 300.402 2.253 10 30 DEEERO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)CC[N@@H+]1C ZINC000329591289 404386009 /nfs/dbraw/zinc/38/60/09/404386009.db2.gz UAWVXBUAEAULRU-SLEUVZQESA-N 1 0 319.380 2.228 10 30 DEEERO Cn1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C2CC2)n1 ZINC000329627784 404401035 /nfs/dbraw/zinc/40/10/35/404401035.db2.gz PMIBPOHWKHHOBI-HIFRSBDPSA-N 1 0 317.437 2.259 10 30 DEEERO CC[C@@]1(CO)CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000330275638 404611932 /nfs/dbraw/zinc/61/19/32/404611932.db2.gz LUARUVFYVMWPAD-YCXXCVGLSA-N 1 0 323.481 2.400 10 30 DEEERO C=C(CC)CSCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000358633811 404770027 /nfs/dbraw/zinc/77/00/27/404770027.db2.gz FEOLCOFFHPLVTH-HNNXBMFYSA-N 1 0 314.495 2.159 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCC[NH2+]C ZINC000415309130 404843995 /nfs/dbraw/zinc/84/39/95/404843995.db2.gz QWEAYHXBRFSOBY-UHFFFAOYSA-N 1 0 317.433 2.203 10 30 DEEERO C=CCCS(=O)(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000366794769 404848915 /nfs/dbraw/zinc/84/89/15/404848915.db2.gz MNPUETGQNASWJS-CABCVRRESA-N 1 0 312.410 2.066 10 30 DEEERO C#CCCC[NH2+][C@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000367596009 405098622 /nfs/dbraw/zinc/09/86/22/405098622.db2.gz OQRDOXPYGHFGGA-HZPDHXFCSA-N 1 0 322.449 2.404 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000424297308 405061308 /nfs/dbraw/zinc/06/13/08/405061308.db2.gz QESFHQRJYUONIF-AJNGGQMLSA-N 1 0 320.393 2.456 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416246996 405072491 /nfs/dbraw/zinc/07/24/91/405072491.db2.gz OBDWJJCOYLOUJF-MSOLQXFVSA-N 1 0 314.429 2.285 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000425400524 405285477 /nfs/dbraw/zinc/28/54/77/405285477.db2.gz YDFOLKRMVOTMTH-CFVMTHIKSA-N 1 0 323.462 2.241 10 30 DEEERO CCc1ccc([C@H](CNC(=O)c2ccc(C#N)n2C)[NH+](C)C)cc1 ZINC000448608335 405427144 /nfs/dbraw/zinc/42/71/44/405427144.db2.gz VVILCBLPLJFROJ-SFHVURJKSA-N 1 0 324.428 2.492 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638573138 405552760 /nfs/dbraw/zinc/55/27/60/405552760.db2.gz QYDVEQVFFCWNRQ-LSDHHAIUSA-N 1 0 304.390 2.130 10 30 DEEERO C=CCOCC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000494183700 405658569 /nfs/dbraw/zinc/65/85/69/405658569.db2.gz VEKKEJDJBMZCKI-GOSISDBHSA-N 1 0 302.418 2.360 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000583504477 405750264 /nfs/dbraw/zinc/75/02/64/405750264.db2.gz SFSDMTNUBFNERJ-RDJZCZTQSA-N 1 0 307.434 2.499 10 30 DEEERO C=CC[C@@]1(C(=O)NCc2cccc3c2CCOC3)CCC[NH2+]1 ZINC000638990049 405801857 /nfs/dbraw/zinc/80/18/57/405801857.db2.gz UTVTYQFNJKGWSK-SFHVURJKSA-N 1 0 300.402 2.074 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000564880242 406067494 /nfs/dbraw/zinc/06/74/94/406067494.db2.gz JGNVASUWHCEHGB-WCVJEAGWSA-N 1 0 309.454 2.140 10 30 DEEERO C=CCCC(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000639382297 406073746 /nfs/dbraw/zinc/07/37/46/406073746.db2.gz VXMXCSSAAXEWNT-UHFFFAOYSA-N 1 0 302.465 2.478 10 30 DEEERO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000518076808 406128993 /nfs/dbraw/zinc/12/89/93/406128993.db2.gz KVDYTVAEQMYXLC-CQSZACIVSA-N 1 0 306.454 2.442 10 30 DEEERO C[NH+]1CCC([C@H]2CCN(C(=O)Cc3cccc(C#N)c3)C2)CC1 ZINC000534411130 406188045 /nfs/dbraw/zinc/18/80/45/406188045.db2.gz LURSETYEPVAJSS-SFHVURJKSA-N 1 0 311.429 2.291 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000632638452 406207964 /nfs/dbraw/zinc/20/79/64/406207964.db2.gz LQIXQSSIRPWCLO-UHFFFAOYSA-N 1 0 323.481 2.084 10 30 DEEERO C=CCCCCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000568193608 406209321 /nfs/dbraw/zinc/20/93/21/406209321.db2.gz OEUPEWSFORNQCV-IAGOWNOFSA-N 1 0 323.481 2.410 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)cc1 ZINC000634714284 406241450 /nfs/dbraw/zinc/24/14/50/406241450.db2.gz JCSDMCKNKCLETO-AEFFLSMTSA-N 1 0 305.418 2.253 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000633015790 406354204 /nfs/dbraw/zinc/35/42/04/406354204.db2.gz HQCDIRFNHRETQX-UHFFFAOYSA-N 1 0 315.417 2.337 10 30 DEEERO C=CCN(CC(F)(F)F)C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000637948203 406491555 /nfs/dbraw/zinc/49/15/55/406491555.db2.gz IOCOTKKOGOXYEH-UHFFFAOYSA-N 1 0 312.335 2.452 10 30 DEEERO C#C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000491623497 406637128 /nfs/dbraw/zinc/63/71/28/406637128.db2.gz GBRCKRRPJFBDFH-LSDHHAIUSA-N 1 0 305.809 2.408 10 30 DEEERO C[NH+]1CCC(C#N)(NC(=O)c2cc(O)c3ccccc3c2)CC1 ZINC000527451944 406632957 /nfs/dbraw/zinc/63/29/57/406632957.db2.gz VFCIYEYHJJGHRR-UHFFFAOYSA-N 1 0 309.369 2.263 10 30 DEEERO N#Cc1csc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000548989109 406570834 /nfs/dbraw/zinc/57/08/34/406570834.db2.gz KILCTYHELNYYEQ-UKRRQHHQSA-N 1 0 306.431 2.277 10 30 DEEERO C=CCCC(C)(C)NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638432876 406769252 /nfs/dbraw/zinc/76/92/52/406769252.db2.gz SJTBXEAPGJFTLW-MRXNPFEDSA-N 1 0 303.450 2.307 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000575895069 406827137 /nfs/dbraw/zinc/82/71/37/406827137.db2.gz AUWHRXPJDLHIOA-UHFFFAOYSA-N 1 0 317.433 2.284 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000576339462 406830507 /nfs/dbraw/zinc/83/05/07/406830507.db2.gz PSOOPAMOBKEVKE-QZWWFDLISA-N 1 0 321.465 2.141 10 30 DEEERO C=CCNC(=O)[C@@H](C)[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000128972184 196008433 /nfs/dbraw/zinc/00/84/33/196008433.db2.gz IAQXYPKLNDTDIW-CYBMUJFWSA-N 1 0 305.397 2.393 10 30 DEEERO CN(CC(F)(F)F)C(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129052804 196014673 /nfs/dbraw/zinc/01/46/73/196014673.db2.gz JUJCQNHMKVWXIN-UHFFFAOYSA-N 1 0 304.699 2.285 10 30 DEEERO CCN(C(=O)c1ccc(C#CC[NH3+])c(Cl)c1)[C@@H](C)COC ZINC000129091977 196018369 /nfs/dbraw/zinc/01/83/69/196018369.db2.gz XIAONKHRUKCEON-LBPRGKRZSA-N 1 0 308.809 2.147 10 30 DEEERO Cc1cc(C(=O)NCCCC(F)(F)F)sc1C#CC[NH3+] ZINC000131052048 196136042 /nfs/dbraw/zinc/13/60/42/196136042.db2.gz JFUQTITVCZVUSM-UHFFFAOYSA-N 1 0 304.337 2.439 10 30 DEEERO CCCCS(=O)(=O)Nc1ccc(Cl)cc1C#CC[NH3+] ZINC000132016957 196218721 /nfs/dbraw/zinc/21/87/21/196218721.db2.gz GKYYBKBPOCAPPS-UHFFFAOYSA-N 1 0 300.811 2.192 10 30 DEEERO C[C@@H]1C[NH2+]C[C@H](COc2ccc(C(F)(F)F)cc2C#N)O1 ZINC000133816567 196337866 /nfs/dbraw/zinc/33/78/66/196337866.db2.gz XXLCXCHJJOGPBJ-BXKDBHETSA-N 1 0 300.280 2.333 10 30 DEEERO C=CCCCN(C)S(=O)(=O)c1ccc(CC[NH2+]CC)cc1 ZINC000136050373 196517432 /nfs/dbraw/zinc/51/74/32/196517432.db2.gz ZUKXWAOOAPKNNH-UHFFFAOYSA-N 1 0 310.463 2.425 10 30 DEEERO Cc1[nH]c2ccc(CNC(=[NH2+])N3CCO[C@@H](C)C3)cc2c1C ZINC000262503979 225276304 /nfs/dbraw/zinc/27/63/04/225276304.db2.gz ZGBHEJVLQKOWFO-NSHDSACASA-N 1 0 300.406 2.320 10 30 DEEERO [NH2+]=C(NCCc1cccs1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000261613122 225252189 /nfs/dbraw/zinc/25/21/89/225252189.db2.gz GDMWCZUTLBNUOL-MGPQQGTHSA-N 1 0 305.447 2.153 10 30 DEEERO [NH2+]=C(NCc1ccc(F)cc1C(F)(F)F)NC[C@@H]1CCCO1 ZINC000261772838 225255918 /nfs/dbraw/zinc/25/59/18/225255918.db2.gz MWPXAPOVJYQMBY-NSHDSACASA-N 1 0 319.302 2.428 10 30 DEEERO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CC)CC1 ZINC000291072081 222115723 /nfs/dbraw/zinc/11/57/23/222115723.db2.gz QRXOUSFJUYJFEW-UHFFFAOYSA-N 1 0 312.421 2.058 10 30 DEEERO C=CC[NH+]1CCC(Nc2nccn3c2nnc3C(C)C)CC1 ZINC000489737711 421172583 /nfs/dbraw/zinc/17/25/83/421172583.db2.gz CWYNEKFBNFUCFZ-UHFFFAOYSA-N 1 0 300.410 2.310 10 30 DEEERO C=CCNc1ncc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000530276789 421590926 /nfs/dbraw/zinc/59/09/26/421590926.db2.gz NYXPAZDVFZGLBQ-ZDUSSCGKSA-N 1 0 320.462 2.488 10 30 DEEERO Cc1cc(C#N)nc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000396371625 269102743 /nfs/dbraw/zinc/10/27/43/269102743.db2.gz DTVVMMKNAIDUOX-OAHLLOKOSA-N 1 0 307.401 2.367 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000448747618 273804793 /nfs/dbraw/zinc/80/47/93/273804793.db2.gz KAMGSCYMYOQYKZ-INIZCTEOSA-N 1 0 314.364 2.069 10 30 DEEERO C[NH+]=C(NCCc1c(C)nn(C)c1C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261664995 276842500 /nfs/dbraw/zinc/84/25/00/276842500.db2.gz GGCJKLCQAHGSER-IYBDPMFKSA-N 1 0 317.481 2.277 10 30 DEEERO C[N@@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccccc1 ZINC000178945083 290221660 /nfs/dbraw/zinc/22/16/60/290221660.db2.gz QFFSIGDUQWXJKP-HOTGVXAUSA-N 1 0 321.446 2.045 10 30 DEEERO N#C[C@H]1CC[C@@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000333401102 294842197 /nfs/dbraw/zinc/84/21/97/294842197.db2.gz NXLYKUSVUNWKBX-XHSDSOJGSA-N 1 0 304.438 2.339 10 30 DEEERO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccsc2)cc1 ZINC000163078021 325703946 /nfs/dbraw/zinc/70/39/46/325703946.db2.gz NOSMXRMNDFMATA-UHFFFAOYSA-N 1 0 320.439 2.226 10 30 DEEERO C=CCc1cc(CNC(=O)[C@@]2(C)CCC[NH2+]2)cc(OC)c1OC ZINC000583929037 331472885 /nfs/dbraw/zinc/47/28/85/331472885.db2.gz VAWHIFCBZZKPFJ-GOSISDBHSA-N 1 0 318.417 2.191 10 30 DEEERO C#CCCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1 ZINC000363414453 331901156 /nfs/dbraw/zinc/90/11/56/331901156.db2.gz NLCXBULVGCEFHY-QGPMSJSTSA-N 1 0 312.413 2.188 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@]2(C)Br)CC1 ZINC000528450442 332753921 /nfs/dbraw/zinc/75/39/21/332753921.db2.gz SGENSVLUEUWGPG-JSGCOSHPSA-N 1 0 315.255 2.317 10 30 DEEERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000563000427 333031435 /nfs/dbraw/zinc/03/14/35/333031435.db2.gz LXEZRKXFCOXEBR-XIRDDKMYSA-N 1 0 316.401 2.301 10 30 DEEERO CC[NH+]=C(NCCc1cc(F)cc2c1OCOC2)NC(C)C ZINC000072623490 334885929 /nfs/dbraw/zinc/88/59/29/334885929.db2.gz CLKGOOUCIVCEDU-UHFFFAOYSA-N 1 0 309.385 2.198 10 30 DEEERO N#Cc1cccnc1OC[C@@H](O)C[NH2+]C1CCCCCCC1 ZINC000584633504 337377459 /nfs/dbraw/zinc/37/74/59/337377459.db2.gz OEXGLUGZTDOVPV-INIZCTEOSA-N 1 0 303.406 2.395 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000580445157 337677662 /nfs/dbraw/zinc/67/76/62/337677662.db2.gz LEDCGWAXCGTOAF-KGLIPLIRSA-N 1 0 303.324 2.135 10 30 DEEERO C=CCOc1ccc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000529333304 340753135 /nfs/dbraw/zinc/75/31/35/340753135.db2.gz YIHWRCZDTQFRGY-INIZCTEOSA-N 1 0 315.417 2.335 10 30 DEEERO CCN(CCC#N)C(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000075831520 341184943 /nfs/dbraw/zinc/18/49/43/341184943.db2.gz RJYZYJNUQGPMLB-INIZCTEOSA-N 1 0 307.438 2.172 10 30 DEEERO C=CC[NH+]1CCC(N[C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000548056453 341245014 /nfs/dbraw/zinc/24/50/14/341245014.db2.gz VJPMOHYOUNSWDJ-QGZVFWFLSA-N 1 0 315.396 2.273 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(OCC)cc1 ZINC000575116813 341778986 /nfs/dbraw/zinc/77/89/86/341778986.db2.gz OVQFOFKOQBYYJQ-MPGHIAIKSA-N 1 0 321.417 2.006 10 30 DEEERO C[C@H]1C[NH+]=C(NCc2cc(Oc3ccc(F)cc3)ccn2)N1 ZINC000262676719 533990056 /nfs/dbraw/zinc/99/00/56/533990056.db2.gz UHGKXQXDOAZANW-NSHDSACASA-N 1 0 300.337 2.450 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCc2cc(F)c(Cl)cc2F)CCO1 ZINC000262468547 534272117 /nfs/dbraw/zinc/27/21/17/534272117.db2.gz OELQRRVJTNAAFC-MRVPVSSYSA-N 1 0 303.740 2.154 10 30 DEEERO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1C#N ZINC000128477236 524028184 /nfs/dbraw/zinc/02/81/84/524028184.db2.gz RDKUIYREKVCSNY-OAHLLOKOSA-N 1 0 311.389 2.071 10 30 DEEERO C[NH+]=C(NCc1nccc2ccccc21)N1CC[C@]2(CCOC2)C1 ZINC000261934342 526390054 /nfs/dbraw/zinc/39/00/54/526390054.db2.gz CDTUGWGLPUYGKQ-IBGZPJMESA-N 1 0 324.428 2.423 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1=O ZINC000337193584 526512752 /nfs/dbraw/zinc/51/27/52/526512752.db2.gz VOGKBCFGNSCSPU-GJZGRUSLSA-N 1 0 303.362 2.422 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418135786 526797436 /nfs/dbraw/zinc/79/74/36/526797436.db2.gz PRWYXZICFFRETQ-JQFCIGGWSA-N 1 0 317.433 2.487 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000341278960 526890982 /nfs/dbraw/zinc/89/09/82/526890982.db2.gz VFXBFMMCXKOPIS-DOTOQJQBSA-N 1 0 307.434 2.499 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000262037215 526950808 /nfs/dbraw/zinc/95/08/08/526950808.db2.gz YBYFJMZCTKTEJE-KSZLIROESA-N 1 0 316.445 2.498 10 30 DEEERO C=CCOc1cccnc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341981870 526953639 /nfs/dbraw/zinc/95/36/39/526953639.db2.gz FBPQFBVNBYYBOU-KGLIPLIRSA-N 1 0 303.406 2.201 10 30 DEEERO C#CCOc1ccc(C[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000174518878 527104642 /nfs/dbraw/zinc/10/46/42/527104642.db2.gz UJNZSOSRDAPMQQ-QGZVFWFLSA-N 1 0 324.428 2.191 10 30 DEEERO C=CCCCC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412782868 527106833 /nfs/dbraw/zinc/10/68/33/527106833.db2.gz XUIICKYKYCMPPH-UHFFFAOYSA-N 1 0 316.445 2.486 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@@H](C(CC)CC)[NH+]1CCCC1 ZINC000346939379 527196083 /nfs/dbraw/zinc/19/60/83/527196083.db2.gz ILSJMEUXBYIIQU-CVEARBPZSA-N 1 0 311.470 2.123 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000346939381 527196804 /nfs/dbraw/zinc/19/68/04/527196804.db2.gz ILSJMEUXBYIIQU-HZPDHXFCSA-N 1 0 311.470 2.123 10 30 DEEERO C=CCC[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccccc1 ZINC000188965286 527444445 /nfs/dbraw/zinc/44/44/45/527444445.db2.gz GICFUVAYPGKXKB-OAHLLOKOSA-N 1 0 310.401 2.493 10 30 DEEERO C=CCC[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccccc1 ZINC000188965266 527482049 /nfs/dbraw/zinc/48/20/49/527482049.db2.gz GICFUVAYPGKXKB-HNNXBMFYSA-N 1 0 310.401 2.493 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000247379706 527626435 /nfs/dbraw/zinc/62/64/35/527626435.db2.gz VSNMGECVSBKPFR-SJORKVTESA-N 1 0 316.449 2.418 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(C)nnn1CC)C(C)C ZINC000294997235 527649653 /nfs/dbraw/zinc/64/96/53/527649653.db2.gz VIPGMFZBBZMMHK-OAHLLOKOSA-N 1 0 319.453 2.035 10 30 DEEERO CC[NH+]=C(NCCc1ccsc1)N1CC[C@@]2(CCOC2)C1 ZINC000261955243 528808003 /nfs/dbraw/zinc/80/80/03/528808003.db2.gz IOKZOPLXETVCMD-MRXNPFEDSA-N 1 0 307.463 2.369 10 30 DEEERO CC[NH+]1CCN([C@H](C)CNC(=O)C[C@H]2CCCCNC2=O)CC1 ZINC000329858198 529151772 /nfs/dbraw/zinc/15/17/72/529151772.db2.gz ZXIXQSOBSBMTTC-HUUCEWRRSA-N 1 0 324.469 2.116 10 30 DEEERO C#CC[N@H+]1CCC[C@H]1COC(=O)Cc1ccc(OCC)cc1 ZINC000729809718 640843409 /nfs/dbraw/zinc/84/34/09/640843409.db2.gz OJMOQRXPOKRISC-INIZCTEOSA-N 1 0 301.386 2.269 10 30 DEEERO Cc1ccc(C[NH+]=C(N(C)C)N(C)C)c(OC[C@@H]2CCOC2)c1 ZINC000087002014 641273284 /nfs/dbraw/zinc/27/32/84/641273284.db2.gz OJKGQEMQFJKNFN-OAHLLOKOSA-N 1 0 319.449 2.390 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)OC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000803857421 645707505 /nfs/dbraw/zinc/70/75/05/645707505.db2.gz FNCKSLKRVORORW-HOTGVXAUSA-N 1 0 322.449 2.383 10 30 DEEERO Cc1nn(C)c(Cl)c1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000174560518 646814315 /nfs/dbraw/zinc/81/43/15/646814315.db2.gz ZWXMTOZUWPNLMA-UHFFFAOYSA-N 1 0 304.781 2.422 10 30 DEEERO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(OCC#N)cc1 ZINC000181904469 648783578 /nfs/dbraw/zinc/78/35/78/648783578.db2.gz AYUAXVJYRTUJAI-WMLDXEAASA-N 1 0 304.390 2.029 10 30 DEEERO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCC[C@@H]2O)c1 ZINC000304740026 685258648 /nfs/dbraw/zinc/25/86/48/685258648.db2.gz BLNKJRDVBJXDRA-DOMZBBRYSA-N 1 0 321.421 2.372 10 30 DEEERO CCOc1cccnc1C(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC000091700027 684038288 /nfs/dbraw/zinc/03/82/88/684038288.db2.gz HBLAYBLDWXMABQ-CQSZACIVSA-N 1 0 304.390 2.371 10 30 DEEERO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000245507005 685113540 /nfs/dbraw/zinc/11/35/40/685113540.db2.gz PACIGCKHJZLYQG-DZGCQCFKSA-N 1 0 302.374 2.362 10 30 DEEERO [NH2+]=C(NCc1ccc(Cn2ccccc2=O)cc1)NCC1CCC1 ZINC000303905863 685240003 /nfs/dbraw/zinc/24/00/03/685240003.db2.gz ZPSSYNMUEUQDEA-UHFFFAOYSA-N 1 0 324.428 2.101 10 30 DEEERO N#Cc1sc(N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)nc1Cl ZINC000716990772 798347394 /nfs/dbraw/zinc/34/73/94/798347394.db2.gz WYQTVJSTYJAATB-WDSKDSINSA-N 1 0 310.732 2.384 10 30 DEEERO CC#CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000717749423 799430528 /nfs/dbraw/zinc/43/05/28/799430528.db2.gz NIDPVYDKLNWMOA-ARFHVFGLSA-N 1 0 324.465 2.386 10 30 DEEERO C#CCC[C@H](O)C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000717857046 1091325452 /nfs/dbraw/zinc/32/54/52/1091325452.db2.gz YXASJWHLUGYMML-AWEZNQCLSA-N 1 0 312.454 2.386 10 30 DEEERO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1COCCN1C ZINC000624738875 365530384 /nfs/dbraw/zinc/53/03/84/365530384.db2.gz PLRRIOPYSGLPBQ-QGZVFWFLSA-N 1 0 317.433 2.105 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)Nc1ccccc1SCC(N)=O ZINC000076734057 185036873 /nfs/dbraw/zinc/03/68/73/185036873.db2.gz OFBTUXQVBDFYMT-UHFFFAOYSA-N 1 0 321.446 2.101 10 30 DEEERO C#CC[C@@H]([NH3+])C(=O)N(CC)Cc1ccc(Br)s1 ZINC000162337915 197560362 /nfs/dbraw/zinc/56/03/62/197560362.db2.gz DANSIWZVKBLFHW-SNVBAGLBSA-N 1 0 315.236 2.210 10 30 DEEERO Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000092341637 185313202 /nfs/dbraw/zinc/31/32/02/185313202.db2.gz UCPLSTYPCRAXMD-VIFPVBQESA-N 1 0 303.387 2.154 10 30 DEEERO CCc1nc(CNC(=[NH+]C)N2CCC3(C2)CCOCC3)cs1 ZINC000262796649 529735616 /nfs/dbraw/zinc/73/56/16/529735616.db2.gz PTMFOJXFZHXYHD-UHFFFAOYSA-N 1 0 322.478 2.283 10 30 DEEERO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc(C#N)cn1 ZINC000328632710 529955242 /nfs/dbraw/zinc/95/52/42/529955242.db2.gz SAKONDSBACCFQG-WMZOPIPTSA-N 1 0 307.401 2.477 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1coc(OC)n1)C(C)C ZINC000625558460 365829209 /nfs/dbraw/zinc/82/92/09/365829209.db2.gz VNXZKECASMHYOI-CQSZACIVSA-N 1 0 307.394 2.112 10 30 DEEERO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000625702167 365874694 /nfs/dbraw/zinc/87/46/94/365874694.db2.gz UIVPTHAMZZOZGT-ZDUSSCGKSA-N 1 0 302.374 2.294 10 30 DEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)N1CCS[C@@H](C)[C@H]1C ZINC000133667698 186005039 /nfs/dbraw/zinc/00/50/39/186005039.db2.gz UVNIVIZVSQDQCO-KGLIPLIRSA-N 1 0 302.443 2.271 10 30 DEEERO C[C@H]1SCCN(C(=O)c2ccc(F)cc2C#CC[NH3+])[C@H]1C ZINC000133677524 186005771 /nfs/dbraw/zinc/00/57/71/186005771.db2.gz XYMPCSCSYRVMFJ-NWDGAFQWSA-N 1 0 306.406 2.102 10 30 DEEERO CN(c1ncc(Br)cc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261591843 282672724 /nfs/dbraw/zinc/67/27/24/282672724.db2.gz MCOXAKVUYWLXHX-FUNVUKJBSA-N 1 0 321.222 2.435 10 30 DEEERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000171085054 197879015 /nfs/dbraw/zinc/87/90/15/197879015.db2.gz UNGFASNEGKWUGR-LLVKDONJSA-N 1 0 324.331 2.327 10 30 DEEERO C[NH2+]Cc1cn(CC(=O)NCCC#N)c2cc(Cl)ccc12 ZINC000164014941 186145897 /nfs/dbraw/zinc/14/58/97/186145897.db2.gz ANOKGDBSOBAUSW-UHFFFAOYSA-N 1 0 304.781 2.044 10 30 DEEERO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1C ZINC000626137781 366070769 /nfs/dbraw/zinc/07/07/69/366070769.db2.gz WILAAFRYJDIWGH-YXJHDRRASA-N 1 0 302.418 2.319 10 30 DEEERO C=CCCC1(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCCC1 ZINC000617417360 363128113 /nfs/dbraw/zinc/12/81/13/363128113.db2.gz VYEDWXFGSCCZHY-INIZCTEOSA-N 1 0 305.466 2.019 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000321057450 539897840 /nfs/dbraw/zinc/89/78/40/539897840.db2.gz XILZQJRDLMYPLR-QWRGUYRKSA-N 1 0 320.216 2.260 10 30 DEEERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(-n2cncn2)c1 ZINC000329326252 539918278 /nfs/dbraw/zinc/91/82/78/539918278.db2.gz WORDHFJYFXKXSS-HZPDHXFCSA-N 1 0 311.389 2.199 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000174533966 198348927 /nfs/dbraw/zinc/34/89/27/198348927.db2.gz BSDFVENJMAUECW-KRWDZBQOSA-N 1 0 314.433 2.303 10 30 DEEERO C=C[C@H](O)C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000617865819 363293887 /nfs/dbraw/zinc/29/38/87/363293887.db2.gz RLZORQJMSQARSI-ZDUSSCGKSA-N 1 0 317.414 2.376 10 30 DEEERO C=CCCO[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000066320256 354709194 /nfs/dbraw/zinc/70/91/94/354709194.db2.gz PGQCVBNWDCFZTG-RDJZCZTQSA-N 1 0 304.434 2.257 10 30 DEEERO CNC(=[NH+]N)c1cc(Br)ccc1Br ZINC000164756609 355975129 /nfs/dbraw/zinc/97/51/29/355975129.db2.gz ZMSPTKZTQQXTFK-UHFFFAOYSA-N 1 0 306.989 2.051 10 30 DEEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000182004706 356105049 /nfs/dbraw/zinc/10/50/49/356105049.db2.gz KEWFMTUDUFNUEY-OLZOCXBDSA-N 1 0 321.396 2.493 10 30 DEEERO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626893757 366352632 /nfs/dbraw/zinc/35/26/32/366352632.db2.gz QXKUSJSQFLCTQO-UKRRQHHQSA-N 1 0 315.417 2.000 10 30 DEEERO C=C[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000397890206 356719613 /nfs/dbraw/zinc/71/96/13/356719613.db2.gz FWEKQIMGAHXLKM-WMZOPIPTSA-N 1 0 302.418 2.358 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591639927 357747129 /nfs/dbraw/zinc/74/71/29/357747129.db2.gz PQGBGVPSHBZQAQ-FZMZJTMJSA-N 1 0 320.345 2.047 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccccc1F ZINC000594019623 358191272 /nfs/dbraw/zinc/19/12/72/358191272.db2.gz PTTBCCGDVPSMAD-BXUZGUMPSA-N 1 0 307.369 2.267 10 30 DEEERO C=CCCSCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000594717974 358324793 /nfs/dbraw/zinc/32/47/93/358324793.db2.gz JJDGZDQMSDQRKK-UHFFFAOYSA-N 1 0 324.471 2.231 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000595297528 358415483 /nfs/dbraw/zinc/41/54/83/358415483.db2.gz VKQYIWNTJZGVNE-KRWDZBQOSA-N 1 0 321.421 2.284 10 30 DEEERO C=CC[N@@H+]([C@H]1CCN(CC(=O)OC(C)(C)C)C1=O)C(C)(C)C ZINC000595765809 358543547 /nfs/dbraw/zinc/54/35/47/358543547.db2.gz OZDCUDKGQWEJHH-ZDUSSCGKSA-N 1 0 310.438 2.216 10 30 DEEERO C=CCNC(=O)C[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000595718923 358532592 /nfs/dbraw/zinc/53/25/92/358532592.db2.gz XDVMLNQLGZSPMY-UHFFFAOYSA-N 1 0 310.438 2.123 10 30 DEEERO C=CC[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000185811295 199890283 /nfs/dbraw/zinc/89/02/83/199890283.db2.gz MVNDLAIUNHMNSV-SJORKVTESA-N 1 0 302.418 2.094 10 30 DEEERO C=CC[C@H]1CC[N@@H+](Cc2c(C)nn(CCC(=O)OC)c2C)C1 ZINC000600186940 359681184 /nfs/dbraw/zinc/68/11/84/359681184.db2.gz VGCFNGKWFCWHEK-HNNXBMFYSA-N 1 0 305.422 2.461 10 30 DEEERO C[C@@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000187900672 200173383 /nfs/dbraw/zinc/17/33/83/200173383.db2.gz IMETZTOGHTZGBP-KDOFPFPSSA-N 1 0 315.417 2.370 10 30 DEEERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1C ZINC000189309390 200379825 /nfs/dbraw/zinc/37/98/25/200379825.db2.gz QWMVERKQGMWDRJ-BBRMVZONSA-N 1 0 301.390 2.244 10 30 DEEERO C=C(C)CN1CCC([NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)CC1 ZINC000602541761 360423776 /nfs/dbraw/zinc/42/37/76/360423776.db2.gz ZMBOZSUFQFEETK-UHFFFAOYSA-N 1 0 305.422 2.240 10 30 DEEERO N#C[C@@H]1CCCC[C@H]1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602887010 360610447 /nfs/dbraw/zinc/61/04/47/360610447.db2.gz TZKDIMLJQNCNEW-IPMKNSEASA-N 1 0 313.445 2.295 10 30 DEEERO C[C@H](CNC(=O)c1ccnc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000193221813 201008241 /nfs/dbraw/zinc/00/82/41/201008241.db2.gz GEZRAPFPSONANL-CQSZACIVSA-N 1 0 308.385 2.204 10 30 DEEERO C[C@@H]1C[C@@H](NC(=O)c2ccnc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000193513602 201065645 /nfs/dbraw/zinc/06/56/45/201065645.db2.gz XKOTULFZVJADHK-RDTXWAMCSA-N 1 0 320.396 2.346 10 30 DEEERO N#Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000193624312 201089568 /nfs/dbraw/zinc/08/95/68/201089568.db2.gz IKXYPULCRUHTRW-WMLDXEAASA-N 1 0 310.401 2.042 10 30 DEEERO C=C[C@@H](C(=O)OC)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000619718561 363864585 /nfs/dbraw/zinc/86/45/85/363864585.db2.gz PNEOOJREKQPXBW-RDJZCZTQSA-N 1 0 302.418 2.310 10 30 DEEERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C#N)n2C)C1 ZINC000448775538 239631681 /nfs/dbraw/zinc/63/16/81/239631681.db2.gz BTRREGNYZPMEDM-ZDUSSCGKSA-N 1 0 302.422 2.137 10 30 DEEERO C=C(C)C[NH+]1CCC(NCc2c3c(nn2C)CCCC3)CC1 ZINC000631064653 367996363 /nfs/dbraw/zinc/99/63/63/367996363.db2.gz MJNWPBMMHDFYBA-UHFFFAOYSA-N 1 0 302.466 2.429 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(C[C@@H](c2ccccc2)[NH+](C)C)C1=O ZINC000630965037 367939205 /nfs/dbraw/zinc/93/92/05/367939205.db2.gz NHWFNJAVNRLECJ-CABCVRRESA-N 1 0 301.390 2.176 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000630966394 367940425 /nfs/dbraw/zinc/94/04/25/367940425.db2.gz XDINFIJPTJNOKI-HZPDHXFCSA-N 1 0 313.401 2.148 10 30 DEEERO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc(C#N)n1C)c1ccco1 ZINC000451676339 243295569 /nfs/dbraw/zinc/29/55/69/243295569.db2.gz SHLLHMGWIZKOAS-TZMCWYRMSA-N 1 0 314.389 2.349 10 30 DEEERO [NH3+]CC#Cc1cc(C(=O)Nc2nc3c(s2)CCC3)cs1 ZINC000093976098 193332703 /nfs/dbraw/zinc/33/27/03/193332703.db2.gz OSZPPJDWAFYBAY-UHFFFAOYSA-N 1 0 303.412 2.256 10 30 DEEERO Cc1csc([C@H](C)NC(=O)c2csc(C#CC[NH3+])c2)n1 ZINC000093976584 193332928 /nfs/dbraw/zinc/33/29/28/193332928.db2.gz IULOQLBDBZITGE-JTQLQIEISA-N 1 0 305.428 2.314 10 30 DEEERO Cc1cc(C(=O)N[C@@H](C)Cc2ccco2)sc1C#CC[NH3+] ZINC000094536452 193378407 /nfs/dbraw/zinc/37/84/07/193378407.db2.gz GWNBTHCMUMBJKX-LBPRGKRZSA-N 1 0 302.399 2.321 10 30 DEEERO Cc1cc(C(=O)NCc2cccc(F)c2)sc1C#CC[NH3+] ZINC000094536327 193378659 /nfs/dbraw/zinc/37/86/59/193378659.db2.gz BIZKXXAVMGMLFR-UHFFFAOYSA-N 1 0 302.374 2.436 10 30 DEEERO N#Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000042167298 183237911 /nfs/dbraw/zinc/23/79/11/183237911.db2.gz ZIBZUGPQIVTOLF-JTQLQIEISA-N 1 0 308.179 2.401 10 30 DEEERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(CC#N)CC#N ZINC000043020147 183328390 /nfs/dbraw/zinc/32/83/90/183328390.db2.gz DHQZRQAHXFHURG-GXFFZTMASA-N 1 0 307.195 2.187 10 30 DEEERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CC#N)CC#N ZINC000043020145 183329044 /nfs/dbraw/zinc/32/90/44/183329044.db2.gz DHQZRQAHXFHURG-MFKMUULPSA-N 1 0 307.195 2.187 10 30 DEEERO N#Cc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1F ZINC000105036940 194065968 /nfs/dbraw/zinc/06/59/68/194065968.db2.gz OYNNHJXMFKZGRK-CQSZACIVSA-N 1 0 302.353 2.399 10 30 DEEERO Cn1nccc1[C@H]1[C@H](CNc2ccc(C#N)cn2)CCC[N@@H+]1C ZINC000284818816 218191201 /nfs/dbraw/zinc/19/12/01/218191201.db2.gz JLAGKUCGYCJTEL-WMLDXEAASA-N 1 0 310.405 2.182 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)nc1 ZINC000061872147 184190345 /nfs/dbraw/zinc/19/03/45/184190345.db2.gz MNLWUBMRBICCGY-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO CCCCS(=O)(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061692084 184183487 /nfs/dbraw/zinc/18/34/87/184183487.db2.gz MWWQOGYNHFPRIU-UHFFFAOYSA-N 1 0 300.811 2.192 10 30 DEEERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)n1cnc(C#N)n1 ZINC000061842025 184189650 /nfs/dbraw/zinc/18/96/50/184189650.db2.gz FPJJRAPQIJIOEF-WCQYABFASA-N 1 0 320.194 2.239 10 30 DEEERO CC[NH+](CC)[C@H]1CCN(Cc2ccc(C#CCCO)s2)C1 ZINC000062967929 184263887 /nfs/dbraw/zinc/26/38/87/184263887.db2.gz WJHJZIBMMQGORV-HNNXBMFYSA-N 1 0 306.475 2.398 10 30 DEEERO CC[C@H]1C[N@H+](Cc2ccc(OC)c(C#CCO)c2)CCS1 ZINC000158024067 197236624 /nfs/dbraw/zinc/23/66/24/197236624.db2.gz QILPGDMZZLGVOM-INIZCTEOSA-N 1 0 305.443 2.366 10 30 DEEERO N#Cc1cccc(S(=O)(=O)CC[NH+]2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000156831047 197143667 /nfs/dbraw/zinc/14/36/67/197143667.db2.gz DJTRLFIHKJLDKC-HZPDHXFCSA-N 1 0 318.442 2.454 10 30 DEEERO CN(Cc1ccc(C#CC[NH3+])cc1)C(=O)[C@H]1CCCCS1 ZINC000156279259 197100935 /nfs/dbraw/zinc/10/09/35/197100935.db2.gz NFLKUCXRSYUROQ-MRXNPFEDSA-N 1 0 302.443 2.241 10 30 DEEERO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000155320760 197042971 /nfs/dbraw/zinc/04/29/71/197042971.db2.gz YBGNVWKCFHZBRU-DZKIICNBSA-N 1 0 300.402 2.011 10 30 DEEERO C=CCNC(=O)C[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000155183135 197029550 /nfs/dbraw/zinc/02/95/50/197029550.db2.gz BEALHVZKQXRJFA-UHFFFAOYSA-N 1 0 302.418 2.252 10 30 DEEERO CO[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1Cc1cnn(C)c1 ZINC000248159673 257106806 /nfs/dbraw/zinc/10/68/06/257106806.db2.gz WZVLFYWSAYOAGP-MSOLQXFVSA-N 1 0 310.401 2.124 10 30 DEEERO C[NH+]1CCC(C)(CNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000548703147 285781091 /nfs/dbraw/zinc/78/10/91/285781091.db2.gz IFCUBJQZPBCCJC-UHFFFAOYSA-N 1 0 311.429 2.438 10 30 DEEERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)cn1C ZINC000248394102 145152503 /nfs/dbraw/zinc/15/25/03/145152503.db2.gz MUGNOBVPZAQQNO-WMLDXEAASA-N 1 0 322.412 2.147 10 30 DEEERO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(C#N)cc1F ZINC000358573282 147158925 /nfs/dbraw/zinc/15/89/25/147158925.db2.gz RCWGXHJQMAXUJA-CYBMUJFWSA-N 1 0 305.397 2.459 10 30 DEEERO C=CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000111841445 401725882 /nfs/dbraw/zinc/72/58/82/401725882.db2.gz OVBDSPSEBOOZNQ-HNNXBMFYSA-N 1 0 303.406 2.145 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)N[C@H](Cc1ccccc1)C(C)=O ZINC000076735343 401799209 /nfs/dbraw/zinc/79/92/09/401799209.db2.gz IOOGRILVFRKGQA-QGZVFWFLSA-N 1 0 302.418 2.201 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O ZINC000076735351 401799231 /nfs/dbraw/zinc/79/92/31/401799231.db2.gz IOOGRILVFRKGQA-KRWDZBQOSA-N 1 0 302.418 2.201 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000076736616 401799614 /nfs/dbraw/zinc/79/96/14/401799614.db2.gz DSCNEASURMDKHC-UHFFFAOYSA-N 1 0 303.362 2.382 10 30 DEEERO CCN(CC)c1ccc(/C=[NH+]/C[C@H](C)N2CCOCC2)c(O)c1 ZINC000075533295 401761934 /nfs/dbraw/zinc/76/19/34/401761934.db2.gz QJMCCHUYWBRUAT-FHHIAAGZSA-N 1 0 319.449 2.378 10 30 DEEERO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000077397234 401814102 /nfs/dbraw/zinc/81/41/02/401814102.db2.gz FZPYQTRLMBZGBV-HNNXBMFYSA-N 1 0 309.454 2.132 10 30 DEEERO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1nccs1 ZINC000134236071 401900994 /nfs/dbraw/zinc/90/09/94/401900994.db2.gz YITKOBVANQMDSZ-HIFRSBDPSA-N 1 0 317.414 2.495 10 30 DEEERO CN(CCC#N)C(=O)CC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000092797923 402009184 /nfs/dbraw/zinc/00/91/84/402009184.db2.gz RYXGGBVYPJVUIQ-INIZCTEOSA-N 1 0 307.438 2.172 10 30 DEEERO C=CCOc1ccc(CN2CCC[C@H](NC(C)=O)C2)cc1OC ZINC000153886784 402177241 /nfs/dbraw/zinc/17/72/41/402177241.db2.gz FQSNEQFOKMHBAF-INIZCTEOSA-N 1 0 318.417 2.361 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(F)cc(C#N)cc1F ZINC000154661453 402224874 /nfs/dbraw/zinc/22/48/74/402224874.db2.gz ULAUBJLFBOKGNV-LBPRGKRZSA-N 1 0 307.344 2.393 10 30 DEEERO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnc(C#N)cn1 ZINC000125973859 402258788 /nfs/dbraw/zinc/25/87/88/402258788.db2.gz YFXITEVMMRFLQV-INIZCTEOSA-N 1 0 307.401 2.307 10 30 DEEERO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159735662 402329532 /nfs/dbraw/zinc/32/95/32/402329532.db2.gz PUTVIRFTVRRCPW-CQSZACIVSA-N 1 0 322.478 2.404 10 30 DEEERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1C ZINC000178573072 402513194 /nfs/dbraw/zinc/51/31/94/402513194.db2.gz KZISHXVLRVSKEO-OAHLLOKOSA-N 1 0 316.405 2.099 10 30 DEEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000251671534 402648861 /nfs/dbraw/zinc/64/88/61/402648861.db2.gz LZIHAUFGJPJNCH-UXLLHSPISA-N 1 0 317.437 2.011 10 30 DEEERO CN(c1cccnn1)C1CC[NH+](CCCSCC#N)CC1 ZINC000173884133 402716792 /nfs/dbraw/zinc/71/67/92/402716792.db2.gz ORJJRZWALIGYDW-UHFFFAOYSA-N 1 0 305.451 2.024 10 30 DEEERO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(OCC#N)cc1 ZINC000182000079 402663503 /nfs/dbraw/zinc/66/35/03/402663503.db2.gz BCPBAWACDBSRJO-AWEZNQCLSA-N 1 0 301.390 2.252 10 30 DEEERO Cc1nccn1CCCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000174453134 402742001 /nfs/dbraw/zinc/74/20/01/402742001.db2.gz HUPDCVYEXOOHBE-UHFFFAOYSA-N 1 0 308.389 2.281 10 30 DEEERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccnc(C#N)c1 ZINC000192712915 402745424 /nfs/dbraw/zinc/74/54/24/402745424.db2.gz HOSKNMXTUNGZMN-AWEZNQCLSA-N 1 0 300.406 2.338 10 30 DEEERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccnc(C#N)c2)C1 ZINC000192852329 402753878 /nfs/dbraw/zinc/75/38/78/402753878.db2.gz YBDNJICVBKMRQF-KBPBESRZSA-N 1 0 314.433 2.440 10 30 DEEERO C#Cc1ccc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000279137225 402908240 /nfs/dbraw/zinc/90/82/40/402908240.db2.gz YVPLGBGGMHLCAL-HXUWFJFHSA-N 1 0 311.473 2.270 10 30 DEEERO N#Cc1cccc(-c2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)on2)c1 ZINC000279181596 402913086 /nfs/dbraw/zinc/91/30/86/402913086.db2.gz HYOWFRRGIWDVBI-HNNXBMFYSA-N 1 0 322.368 2.133 10 30 DEEERO C=CCN1CC[C@H](N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)C1=O ZINC000281946714 403107022 /nfs/dbraw/zinc/10/70/22/403107022.db2.gz JITDJUMZHMAPON-COXVUDFISA-N 1 0 318.392 2.374 10 30 DEEERO C=CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000292572416 403370151 /nfs/dbraw/zinc/37/01/51/403370151.db2.gz LHAAVAJBKWWDQP-CVEARBPZSA-N 1 0 308.447 2.317 10 30 DEEERO CC(=O)Nc1ccn([C@@H]2CC[N@H+](Cc3nc(C)ccc3O)C2)n1 ZINC000328623390 404117651 /nfs/dbraw/zinc/11/76/51/404117651.db2.gz JAWKAXWQWQUYHA-CYBMUJFWSA-N 1 0 315.377 2.347 10 30 DEEERO CC(=O)Nc1ccn([C@H]2CC[N@H+](C[C@H](O)c3ccccc3)C2)n1 ZINC000328626159 404117689 /nfs/dbraw/zinc/11/76/89/404117689.db2.gz LKVRMAGNXILXNT-HOTGVXAUSA-N 1 0 314.389 2.471 10 30 DEEERO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000352086274 404134206 /nfs/dbraw/zinc/13/42/06/404134206.db2.gz ZWTYKTYPARJESB-VBNZEHGJSA-N 1 0 321.852 2.366 10 30 DEEERO C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CO1 ZINC000329049749 404212030 /nfs/dbraw/zinc/21/20/30/404212030.db2.gz WCXQETZRDDANDF-ORIJERBGSA-N 1 0 320.437 2.185 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1 ZINC000344546129 404219191 /nfs/dbraw/zinc/21/91/91/404219191.db2.gz KNGHKQZETCFUJJ-UNEWFSDZSA-N 1 0 300.402 2.350 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nccc(C)n1)C(C)C ZINC000349875451 404239634 /nfs/dbraw/zinc/23/96/34/404239634.db2.gz GQENMFTUQFIJBI-OAHLLOKOSA-N 1 0 302.422 2.213 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000291641687 404460563 /nfs/dbraw/zinc/46/05/63/404460563.db2.gz BPJMMEZFTWJDDS-FUHWJXTLSA-N 1 0 312.417 2.397 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000297498909 404560179 /nfs/dbraw/zinc/56/01/79/404560179.db2.gz GCXWGERSXCSYMZ-GOSISDBHSA-N 1 0 311.429 2.438 10 30 DEEERO C=CC[NH+]1CCC(NCc2cnnn2Cc2ccccc2)CC1 ZINC000291966029 404602704 /nfs/dbraw/zinc/60/27/04/404602704.db2.gz PXIYTEYXPVTEKN-UHFFFAOYSA-N 1 0 311.433 2.066 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000357002149 404724624 /nfs/dbraw/zinc/72/46/24/404724624.db2.gz URJHDCFIRFXKLH-UHFFFAOYSA-N 1 0 316.401 2.180 10 30 DEEERO C=C(C)Cn1c(CC2CC2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000359248341 404787894 /nfs/dbraw/zinc/78/78/94/404787894.db2.gz BNUAAPPBFYCBCA-GDBMZVCRSA-N 1 0 315.465 2.480 10 30 DEEERO C=CCc1cc(CN(CC)Cc2cn(C)nn2)cc(OC)c1O ZINC000359286867 404789176 /nfs/dbraw/zinc/78/91/76/404789176.db2.gz HUEIRRCDWMJNKZ-UHFFFAOYSA-N 1 0 316.405 2.280 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)C(=O)c2ccc(F)cc2)CC1 ZINC000358774206 404775173 /nfs/dbraw/zinc/77/51/73/404775173.db2.gz MEXIEDQPWCLKCX-UHFFFAOYSA-N 1 0 304.365 2.165 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000424165255 405028341 /nfs/dbraw/zinc/02/83/41/405028341.db2.gz ALJNJFVPYSXTHF-JSGCOSHPSA-N 1 0 307.390 2.393 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451918460 405091936 /nfs/dbraw/zinc/09/19/36/405091936.db2.gz YEWSWTFEBGBRAF-YNEHKIRRSA-N 1 0 322.371 2.045 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000438440331 405246767 /nfs/dbraw/zinc/24/67/67/405246767.db2.gz CQRJYNSLYGSYRX-FZKCQIBNSA-N 1 0 309.454 2.092 10 30 DEEERO C=CCn1c(C)cc(C(=O)CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1C ZINC000420397718 405343229 /nfs/dbraw/zinc/34/32/29/405343229.db2.gz MWERSMNOMWGMSV-IYBDPMFKSA-N 1 0 301.434 2.300 10 30 DEEERO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(C#N)n2C)([NH+](C)C)C1 ZINC000448768899 405446597 /nfs/dbraw/zinc/44/65/97/405446597.db2.gz RPADVCQHFWKNAF-CXAGYDPISA-N 1 0 302.422 2.137 10 30 DEEERO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(C#N)n2C)C1 ZINC000448826386 405452770 /nfs/dbraw/zinc/45/27/70/405452770.db2.gz XHGXVVHXZMBEME-LZWOXQAQSA-N 1 0 314.433 2.374 10 30 DEEERO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633300065 405558675 /nfs/dbraw/zinc/55/86/75/405558675.db2.gz NPJNRTZCEKDMFZ-CVEARBPZSA-N 1 0 321.465 2.380 10 30 DEEERO C=CCOCC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000494183701 405658866 /nfs/dbraw/zinc/65/88/66/405658866.db2.gz VEKKEJDJBMZCKI-SFHVURJKSA-N 1 0 302.418 2.360 10 30 DEEERO C=CC[C@]1(C(=O)N2CCOc3cc(F)ccc3C2)CCC[NH2+]1 ZINC000638794027 405673534 /nfs/dbraw/zinc/67/35/34/405673534.db2.gz MQURIQXPHXVPMY-QGZVFWFLSA-N 1 0 304.365 2.245 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000636457792 405968714 /nfs/dbraw/zinc/96/87/14/405968714.db2.gz LHESVUZQBDAWJL-UHFFFAOYSA-N 1 0 323.481 2.086 10 30 DEEERO C=CCC1(C(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)CCCC1 ZINC000450957235 406001602 /nfs/dbraw/zinc/00/16/02/406001602.db2.gz GWZYTWZBJXQGCH-HNNXBMFYSA-N 1 0 308.466 2.427 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc(CC)c1 ZINC000566119050 406085430 /nfs/dbraw/zinc/08/54/30/406085430.db2.gz PFLSKTDRSWEBPJ-JZXOWHBKSA-N 1 0 305.418 2.169 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000636645311 406041648 /nfs/dbraw/zinc/04/16/48/406041648.db2.gz XVCHLSRHZLLVRU-UHFFFAOYSA-N 1 0 323.481 2.086 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)Nc1cc(N2CCN(C)CC2)cc[nH+]1 ZINC000634194942 406050713 /nfs/dbraw/zinc/05/07/13/406050713.db2.gz ZBUXCNYLLMTYOI-CQSZACIVSA-N 1 0 302.422 2.374 10 30 DEEERO C=CCCC[C@H](C)NC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636726272 406064450 /nfs/dbraw/zinc/06/44/50/406064450.db2.gz MPJJOAGUEUCHTG-HNNXBMFYSA-N 1 0 323.481 2.180 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(SC)cc1 ZINC000564857889 406066514 /nfs/dbraw/zinc/06/65/14/406066514.db2.gz QMHUPNKRYIQWIW-VBQJREDUSA-N 1 0 323.458 2.329 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000569113810 406224446 /nfs/dbraw/zinc/22/44/46/406224446.db2.gz TYIBNDJSBZBVSQ-JSGCOSHPSA-N 1 0 309.454 2.186 10 30 DEEERO C=CCCCS(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000489293718 406389065 /nfs/dbraw/zinc/38/90/65/406389065.db2.gz OGIAGAGVQRIABQ-OAHLLOKOSA-N 1 0 300.468 2.233 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000573477123 406773185 /nfs/dbraw/zinc/77/31/85/406773185.db2.gz DYIILJYIUPGAKM-BJJXKVORSA-N 1 0 311.809 2.260 10 30 DEEERO C=CCCCCCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000574651498 406784876 /nfs/dbraw/zinc/78/48/76/406784876.db2.gz NKIMZPWRBXYQSF-UHFFFAOYSA-N 1 0 323.481 2.228 10 30 DEEERO Cc1n[nH]c(C)c1NC(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129040891 196014080 /nfs/dbraw/zinc/01/40/80/196014080.db2.gz MCHPFULZZSCHFQ-UHFFFAOYSA-N 1 0 302.765 2.242 10 30 DEEERO Cc1nc(CNC(=O)c2ccc(C#CC[NH3+])c(Cl)c2)cs1 ZINC000129080628 196017066 /nfs/dbraw/zinc/01/70/66/196017066.db2.gz MKFOPAJSLFEKLO-UHFFFAOYSA-N 1 0 319.817 2.345 10 30 DEEERO C#CC[C@@H](CC)[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000129791190 196076245 /nfs/dbraw/zinc/07/62/45/196076245.db2.gz ILOPOARBGYAHGJ-SNVBAGLBSA-N 1 0 307.195 2.383 10 30 DEEERO C[C@@]([NH3+])(C(=O)Nc1ccc(Br)cc1C#N)C1CC1 ZINC000132418801 196254016 /nfs/dbraw/zinc/25/40/16/196254016.db2.gz KWSBWKMAMABTLW-ZDUSSCGKSA-N 1 0 308.179 2.387 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)C[NH2+]CC1CC1 ZINC000132436505 196255899 /nfs/dbraw/zinc/25/58/99/196255899.db2.gz HKQQCZQOYMUOJL-UHFFFAOYSA-N 1 0 308.179 2.259 10 30 DEEERO C[C@]1(C(=O)Nc2ccc(Br)cc2C#N)CCC[NH2+]1 ZINC000132438653 196256214 /nfs/dbraw/zinc/25/62/14/196256214.db2.gz PIPQYBHUDDGVGF-CYBMUJFWSA-N 1 0 308.179 2.401 10 30 DEEERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(Br)cc1C#N ZINC000132454478 196256888 /nfs/dbraw/zinc/25/68/88/196256888.db2.gz MOPMTFIEDWNRPF-KWQFWETISA-N 1 0 308.179 2.257 10 30 DEEERO CCC[NH2+][C@H]1CCN(c2ccc(Br)cc2C#N)C1=O ZINC000133029902 196306069 /nfs/dbraw/zinc/30/60/69/196306069.db2.gz DMWUXGCJKAVSEJ-LBPRGKRZSA-N 1 0 322.206 2.426 10 30 DEEERO Cc1nc(Nc2ccc(Br)cc2C#N)cc(NN)[nH+]1 ZINC000133060241 196308321 /nfs/dbraw/zinc/30/83/21/196308321.db2.gz QNVNLRDUDMJCRL-UHFFFAOYSA-N 1 0 319.166 2.448 10 30 DEEERO C#CC[C@H](CC)NS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000133223808 196322350 /nfs/dbraw/zinc/32/23/50/196322350.db2.gz SJGPSCLOOZAGCR-ZDUSSCGKSA-N 1 0 312.435 2.105 10 30 DEEERO [NH2+]=C(NCCc1csc(N2CCCC2)n1)NC1CCCC1 ZINC000262162827 225265103 /nfs/dbraw/zinc/26/51/03/225265103.db2.gz CGOSPOCXTRDXCZ-UHFFFAOYSA-N 1 0 307.467 2.133 10 30 DEEERO O=C(CNC(=O)N1CCC([NH+]2CCCCC2)CC1)NCC1CC1 ZINC000329444381 225880633 /nfs/dbraw/zinc/88/06/33/225880633.db2.gz NMWRTTUCAPBYLR-UHFFFAOYSA-N 1 0 322.453 2.217 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000333165917 226102037 /nfs/dbraw/zinc/10/20/37/226102037.db2.gz IFXLJJQXFBPLNF-HRCADAONSA-N 1 0 304.438 2.339 10 30 DEEERO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000531154297 267302929 /nfs/dbraw/zinc/30/29/29/267302929.db2.gz ATAJWNOXNAOMTL-GOSISDBHSA-N 1 0 311.429 2.291 10 30 DEEERO C=CCN(C(=O)[C@@H](C)C1C[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000262204308 275424541 /nfs/dbraw/zinc/42/45/41/275424541.db2.gz NJGIJALFSHGTDH-NSHDSACASA-N 1 0 305.447 2.396 10 30 DEEERO CN1CC[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)[C@H]1c1ccccc1 ZINC000329774359 277170240 /nfs/dbraw/zinc/17/02/40/277170240.db2.gz INIVUSDPVUXDOA-GOEBONIOSA-N 1 0 316.405 2.054 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCOC[C@@H]1C)C(C)C ZINC000277565831 277851732 /nfs/dbraw/zinc/85/17/32/277851732.db2.gz SDFLWACOGXMXTO-YESZJQIVSA-N 1 0 323.481 2.409 10 30 DEEERO CC[NH+](CC)CCN1CCCN(c2ccccc2C#N)CC1 ZINC000193470949 279103567 /nfs/dbraw/zinc/10/35/67/279103567.db2.gz BKTDMZSIFWGUHZ-UHFFFAOYSA-N 1 0 300.450 2.412 10 30 DEEERO N#CCSCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000363476540 294810424 /nfs/dbraw/zinc/81/04/24/294810424.db2.gz WRMZHHVOFXBJCY-OAHLLOKOSA-N 1 0 309.479 2.358 10 30 DEEERO C=CCN1CC[C@@H]([NH+]2CCC(Oc3ccc(F)cc3)CC2)C1=O ZINC000366893857 335314995 /nfs/dbraw/zinc/31/49/95/335314995.db2.gz IBEHUGWQLCVHBU-QGZVFWFLSA-N 1 0 318.392 2.456 10 30 DEEERO C=CCN1CC[C@@H]([N@H+](C)CCN2CCCc3ccccc32)C1=O ZINC000532485668 336251847 /nfs/dbraw/zinc/25/18/47/336251847.db2.gz QOZZZJAQYHPLFD-GOSISDBHSA-N 1 0 313.445 2.158 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H]2CCCOC2)CC1 ZINC000527729037 337759333 /nfs/dbraw/zinc/75/93/33/337759333.db2.gz JXCFABJRGGJHEZ-HNNXBMFYSA-N 1 0 309.454 2.143 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(OCC)cc1 ZINC000575116812 341778984 /nfs/dbraw/zinc/77/89/84/341778984.db2.gz OVQFOFKOQBYYJQ-DAYGRLMNSA-N 1 0 321.417 2.006 10 30 DEEERO C[C@H]1C[NH+]=C(NCCc2c[nH]c3ccc(Br)cc23)N1 ZINC000262662346 533990518 /nfs/dbraw/zinc/99/05/18/533990518.db2.gz NFDYJODKJJZXBX-VIFPVBQESA-N 1 0 321.222 2.410 10 30 DEEERO C[NH+]=C(NC[C@@H]1CC=CCC1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262018502 526369213 /nfs/dbraw/zinc/36/92/13/526369213.db2.gz YHMOMYSDEQCOHN-HZPDHXFCSA-N 1 0 314.433 2.466 10 30 DEEERO C=CC[N@H+](Cc1cccs1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338264201 526377012 /nfs/dbraw/zinc/37/70/12/526377012.db2.gz PXTYVLODUUJFHS-ZDUSSCGKSA-N 1 0 314.476 2.018 10 30 DEEERO C[NH+]=C(NCc1ccnn1C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000262002140 526387580 /nfs/dbraw/zinc/38/75/80/526387580.db2.gz URJCJDZAEIEBTI-GFCCVEGCSA-N 1 0 303.385 2.294 10 30 DEEERO C=CCNC(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246905210 526530269 /nfs/dbraw/zinc/53/02/69/526530269.db2.gz RSDSDQPLYHMONM-JKSUJKDBSA-N 1 0 306.381 2.016 10 30 DEEERO C=C(C)CS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000253354260 526687105 /nfs/dbraw/zinc/68/71/05/526687105.db2.gz JEGZWUGHKPAMLV-GOEBONIOSA-N 1 0 308.447 2.002 10 30 DEEERO C=CCOCC[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000339027426 526770658 /nfs/dbraw/zinc/77/06/58/526770658.db2.gz ZZXILLWAGPCZRM-HNNXBMFYSA-N 1 0 303.406 2.243 10 30 DEEERO C=CC[C@@H](CO)NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418486306 527094124 /nfs/dbraw/zinc/09/41/24/527094124.db2.gz IUBFBBAJAZKOLZ-DLBZAZTESA-N 1 0 313.401 2.076 10 30 DEEERO C#CCOc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000372980272 527098276 /nfs/dbraw/zinc/09/82/76/527098276.db2.gz JDGGPCIRVPLEJA-UHFFFAOYSA-N 1 0 312.413 2.445 10 30 DEEERO C#CCSCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245702126 527145488 /nfs/dbraw/zinc/14/54/88/527145488.db2.gz ZLFWVORUZKHSKZ-HZPDHXFCSA-N 1 0 317.458 2.097 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247471192 527634249 /nfs/dbraw/zinc/63/42/49/527634249.db2.gz JGISEMAUBVSTPW-HOCLYGCPSA-N 1 0 302.422 2.146 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(=[NH+]C)N(C)Cc2ccc[nH]2)C12CCC2 ZINC000262374274 527805073 /nfs/dbraw/zinc/80/50/73/527805073.db2.gz JCZPHADPPDMYPI-HUUCEWRRSA-N 1 0 304.438 2.370 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=[NH2+])Nc2cccc(C)c2)[C@H]1n1cccn1 ZINC000263183012 527890265 /nfs/dbraw/zinc/89/02/65/527890265.db2.gz ULWPAPAWLJRJAJ-ARFHVFGLSA-N 1 0 313.405 2.337 10 30 DEEERO CCC[NH+]1CCC(CNC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188403447 528186630 /nfs/dbraw/zinc/18/66/30/528186630.db2.gz AZIKHMQNCFMVKB-UHFFFAOYSA-N 1 0 301.390 2.116 10 30 DEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262364568 528819613 /nfs/dbraw/zinc/81/96/13/528819613.db2.gz HMEZLYQAMLOBQZ-BZUAXINKSA-N 1 0 320.481 2.131 10 30 DEEERO CC[NH+]=C(N[C@@H]1CC1(C)C)N[C@@H]1CCC[C@H]([S@](=O)CC)C1 ZINC000261613051 528820064 /nfs/dbraw/zinc/82/00/64/528820064.db2.gz AJNNDGXXTWOVLQ-VJAMOUOBSA-N 1 0 313.511 2.420 10 30 DEEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CCC[C@@H]1C#N ZINC000261651017 528821717 /nfs/dbraw/zinc/82/17/17/528821717.db2.gz MPUPVJRAVSRUCL-YIDVYQOGSA-N 1 0 316.449 2.191 10 30 DEEERO CCNC(=[NH2+])N[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000262529997 528941545 /nfs/dbraw/zinc/94/15/45/528941545.db2.gz NBIOISOYIRJJEH-MPKXVKKWSA-N 1 0 303.406 2.189 10 30 DEEERO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc(C#N)n1C)c1ccco1 ZINC000451676336 536173006 /nfs/dbraw/zinc/17/30/06/536173006.db2.gz SHLLHMGWIZKOAS-JSGCOSHPSA-N 1 0 314.389 2.349 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000251997930 536884039 /nfs/dbraw/zinc/88/40/39/536884039.db2.gz WJFGXSVZLWTAJX-CXAGYDPISA-N 1 0 304.390 2.302 10 30 DEEERO COC(=O)[C@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000066832943 625348627 /nfs/dbraw/zinc/34/86/27/625348627.db2.gz HYEMEJDNWWSEMS-HNNXBMFYSA-N 1 0 302.374 2.212 10 30 DEEERO CN(C)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)c1ccccc1Cl ZINC000195522079 633130145 /nfs/dbraw/zinc/13/01/45/633130145.db2.gz GWLOXOLIXMIJRD-WFASDCNBSA-N 1 0 324.856 2.026 10 30 DEEERO CCCOc1cccc(CCNC(=[NH2+])NC[C@@H]2CCCO2)c1 ZINC000178779135 636248499 /nfs/dbraw/zinc/24/84/99/636248499.db2.gz XJORDWPEHSOEPU-INIZCTEOSA-N 1 0 305.422 2.101 10 30 DEEERO COC(=O)C1CCC([NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000742370519 638064901 /nfs/dbraw/zinc/06/49/01/638064901.db2.gz YRDLTFIIOOPMCR-UHFFFAOYSA-N 1 0 302.374 2.388 10 30 DEEERO COc1ccc(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1C#N ZINC000747613835 638454225 /nfs/dbraw/zinc/45/42/25/638454225.db2.gz HNFZSOLYPXAQRN-HZSPNIEDSA-N 1 0 315.417 2.444 10 30 DEEERO C#Cc1ccc(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)cn1 ZINC000803122818 645610090 /nfs/dbraw/zinc/61/00/90/645610090.db2.gz ZLVFUTGXODZLNN-UHFFFAOYSA-N 1 0 311.429 2.471 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000806855459 645879615 /nfs/dbraw/zinc/87/96/15/645879615.db2.gz MQODIPFOLYGZBG-MSOLQXFVSA-N 1 0 313.445 2.405 10 30 DEEERO C#CCN1CCC[C@H]1C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000730283984 646890971 /nfs/dbraw/zinc/89/09/71/646890971.db2.gz AGXKUVHIVMDDCX-KRWDZBQOSA-N 1 0 309.413 2.233 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cnn(CC(C)C)c1 ZINC000181752407 648742417 /nfs/dbraw/zinc/74/24/17/648742417.db2.gz OJNWKXDSDPOUCT-HNNXBMFYSA-N 1 0 305.422 2.430 10 30 DEEERO Cc1ccc(CNC(=[NH2+])NC2CC2)c(OC[C@H]2CCCO2)c1 ZINC000305008019 685264223 /nfs/dbraw/zinc/26/42/23/685264223.db2.gz QBPKXKZQNUWEEB-OAHLLOKOSA-N 1 0 303.406 2.120 10 30 DEEERO CCN(CC)c1ccc(/C=[NH+]/CCCN2CCOC2=O)c(O)c1 ZINC000077165993 683949663 /nfs/dbraw/zinc/94/96/63/683949663.db2.gz WOKMOSXTYAYEFC-QGOAFFKASA-N 1 0 319.405 2.500 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc(C(=O)OC)c1 ZINC000119440627 684081827 /nfs/dbraw/zinc/08/18/27/684081827.db2.gz AMHBNMQOPXAHLM-CQSZACIVSA-N 1 0 317.385 2.364 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(C(C)C)nn1C ZINC000121613493 684107401 /nfs/dbraw/zinc/10/74/01/684107401.db2.gz XWYJDQCTGQLYLD-AWEZNQCLSA-N 1 0 305.422 2.434 10 30 DEEERO [NH2+]=C(NC[C@]1(CCO)CCOC1)Nc1cccc2c1CCCC2 ZINC000126141020 684151755 /nfs/dbraw/zinc/15/17/55/684151755.db2.gz RAFCTOLCXGEGNF-SFHVURJKSA-N 1 0 317.433 2.081 10 30 DEEERO Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@H]([NH+](C)C)C1 ZINC000131195939 684197637 /nfs/dbraw/zinc/19/76/37/684197637.db2.gz VSXRVCXXFMMQBE-KRWDZBQOSA-N 1 0 324.432 2.109 10 30 DEEERO CCCCNC(=[NH2+])NCc1ccc(Cn2ccccc2=O)cc1 ZINC000303890094 685237231 /nfs/dbraw/zinc/23/72/31/685237231.db2.gz PXEZDCPUFHUHOB-UHFFFAOYSA-N 1 0 312.417 2.101 10 30 DEEERO C[C@H](NC(=O)C[N+]12CCN(CC1)CC2)c1ccc2ccccc2c1 ZINC000029221652 717116769 /nfs/dbraw/zinc/11/67/69/717116769.db2.gz VSYNLYAKZPQOHH-INIZCTEOSA-O 1 0 324.448 2.163 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=S)NCC[NH+](C)C ZINC000745018732 784656591 /nfs/dbraw/zinc/65/65/91/784656591.db2.gz FIJORFURRJDBAP-UHFFFAOYSA-N 1 0 322.434 2.019 10 30 DEEERO C=CCOc1cccc(C[NH2+][C@H]2CCN(C(=O)NCC)C2)c1 ZINC000152782063 795818247 /nfs/dbraw/zinc/81/82/47/795818247.db2.gz LFMCKMRPTNQRKN-HNNXBMFYSA-N 1 0 303.406 2.145 10 30 DEEERO CC1CCN(C(=[NH2+])NCc2cc(F)cc3c2OCOC3)CC1 ZINC000076105808 1080280782 /nfs/dbraw/zinc/28/07/82/1080280782.db2.gz JYYYMOAQUZEUKC-UHFFFAOYSA-N 1 0 307.369 2.239 10 30 DEEERO O[C@H](C[NH2+]CCOC(F)(F)C(F)(F)F)CC(F)(F)F ZINC000720263170 1089547883 /nfs/dbraw/zinc/54/78/83/1089547883.db2.gz ZSIRLZVLVBURCP-YFKPBYRVSA-N 1 0 305.165 2.061 10 30 DEEERO C=CCN(C(C)(C)C)S(=O)(=O)c1c[nH]c(C[NH2+]C(C)C)c1 ZINC000162670737 197583869 /nfs/dbraw/zinc/58/38/69/197583869.db2.gz PPCNPODITWXGQF-UHFFFAOYSA-N 1 0 313.467 2.488 10 30 DEEERO COc1ccc(C#CCCO)c(C[N@@H+]2CCSC[C@@H]2C)c1 ZINC000087787297 185231926 /nfs/dbraw/zinc/23/19/26/185231926.db2.gz WOTHBZHNHISFTE-AWEZNQCLSA-N 1 0 305.443 2.366 10 30 DEEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090590651 185305653 /nfs/dbraw/zinc/30/56/53/185305653.db2.gz LWTKGJFJCHZYEK-SMDDNHRTSA-N 1 0 314.838 2.280 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1cccc(Br)c1COC ZINC000092475347 185321117 /nfs/dbraw/zinc/32/11/17/185321117.db2.gz DRHGKALHNMOBFJ-UHFFFAOYSA-N 1 0 313.195 2.310 10 30 DEEERO CCOC(=O)[C@]1(Cc2ccccc2)CCCN1CC#CCOC ZINC000616797426 362935750 /nfs/dbraw/zinc/93/57/50/362935750.db2.gz WMIDDOIXOMOGTP-LJQANCHMSA-N 1 0 315.413 2.277 10 30 DEEERO C[NH+](C)Cc1ccc2c(c1)C(C#N)N(C1CCC(O)CC1)C2=O ZINC000071680492 191006014 /nfs/dbraw/zinc/00/60/14/191006014.db2.gz NHNNUDXJIHNDGG-KVULBXGLSA-N 1 0 313.401 2.072 10 30 DEEERO Cc1cc(C#CC[NH3+])cc(C(=O)N2CCS[C@H](C)[C@@H]2C)c1 ZINC000133678592 186005707 /nfs/dbraw/zinc/00/57/07/186005707.db2.gz FJQZVJBWRTYYGJ-UONOGXRCSA-N 1 0 302.443 2.271 10 30 DEEERO C[C@@H]1SCCN(C(=O)c2cc(C#CC[NH3+])ccc2F)[C@H]1C ZINC000133676321 186006028 /nfs/dbraw/zinc/00/60/28/186006028.db2.gz JCBJTLYAHLKEHU-RYUDHWBXSA-N 1 0 306.406 2.102 10 30 DEEERO C[C@@H]1C[NH2+]C[C@H](COc2ccc(C(F)(F)F)c(C#N)c2)O1 ZINC000133839433 186013346 /nfs/dbraw/zinc/01/33/46/186013346.db2.gz KMLLVDOOVUFTGQ-BXKDBHETSA-N 1 0 300.280 2.333 10 30 DEEERO CCC1(CC)CC(=O)N(Cc2sccc2C#CC[NH3+])C1=O ZINC000148752736 186045775 /nfs/dbraw/zinc/04/57/75/186045775.db2.gz HHWIAKUMJWEOHZ-UHFFFAOYSA-N 1 0 304.415 2.124 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCC2(C#N)CCCCC2)CC1 ZINC000595516285 358471915 /nfs/dbraw/zinc/47/19/15/358471915.db2.gz RYWSJWZYWNVJBB-UHFFFAOYSA-N 1 0 304.438 2.410 10 30 DEEERO C=C[C@@](C)(CC)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617704044 363228177 /nfs/dbraw/zinc/22/81/77/363228177.db2.gz URBMMYYDEHULAN-MJGOQNOKSA-N 1 0 316.445 2.472 10 30 DEEERO N#Cc1cccc(SCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000158749663 355959472 /nfs/dbraw/zinc/95/94/72/355959472.db2.gz HSTDDSNQFWGQQA-UHFFFAOYSA-N 1 0 315.442 2.393 10 30 DEEERO COC(=O)c1cc(C[NH2+]CCOc2ccc(C#N)cc2)oc1C ZINC000182480987 356128045 /nfs/dbraw/zinc/12/80/45/356128045.db2.gz OBLKCRUYRDHBPP-UHFFFAOYSA-N 1 0 314.341 2.415 10 30 DEEERO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000181996454 356103890 /nfs/dbraw/zinc/10/38/90/356103890.db2.gz NUMDJDOJJWYABA-LBPRGKRZSA-N 1 0 307.369 2.247 10 30 DEEERO C=CCSCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194627925 356242132 /nfs/dbraw/zinc/24/21/32/356242132.db2.gz VCMBXBIOOUEPNW-UHFFFAOYSA-N 1 0 311.495 2.423 10 30 DEEERO Cc1cc(C#N)cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000588003165 357387253 /nfs/dbraw/zinc/38/72/53/357387253.db2.gz IHEIEVZVVDWEQN-KRWDZBQOSA-N 1 0 314.433 2.343 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)C1 ZINC000594232888 358228678 /nfs/dbraw/zinc/22/86/78/358228678.db2.gz XPLRGJBJTVMUEC-CXAGYDPISA-N 1 0 312.417 2.312 10 30 DEEERO C=CC[C@@H]1CCC[N@@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595659892 358515226 /nfs/dbraw/zinc/51/52/26/358515226.db2.gz QTUJRHWDVLILGS-CABCVRRESA-N 1 0 322.449 2.217 10 30 DEEERO C=CC[C@@]1(C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C)CCC[NH2+]1 ZINC000595935800 358583116 /nfs/dbraw/zinc/58/31/16/358583116.db2.gz VMOBTGQFDSDVBA-YOEHRIQHSA-N 1 0 310.438 2.167 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000599526052 359516261 /nfs/dbraw/zinc/51/62/61/359516261.db2.gz CNDXKHHKWMJMST-ZDUSSCGKSA-N 1 0 302.374 2.310 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2C(=O)OC)C1 ZINC000599526141 359516705 /nfs/dbraw/zinc/51/67/05/359516705.db2.gz FVKVVHUBVGCQQH-CQSZACIVSA-N 1 0 316.401 2.334 10 30 DEEERO C=CCSCCNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000602244960 360321900 /nfs/dbraw/zinc/32/19/00/360321900.db2.gz HTFJXEPGQSYJQD-UHFFFAOYSA-N 1 0 323.466 2.191 10 30 DEEERO C=CCNC(=O)[C@H](C)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602895192 360615697 /nfs/dbraw/zinc/61/56/97/360615697.db2.gz GFYMVRXHAOVAFD-AWEZNQCLSA-N 1 0 312.417 2.125 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)C(C)(C)O)C(C)C ZINC000606641499 361028068 /nfs/dbraw/zinc/02/80/68/361028068.db2.gz DOPRIRZZLSYPFW-HUUCEWRRSA-N 1 0 311.470 2.144 10 30 DEEERO C[NH+](C)CC1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000609253920 361292215 /nfs/dbraw/zinc/29/22/15/361292215.db2.gz POLPJNPPBKBNGW-UHFFFAOYSA-N 1 0 318.396 2.181 10 30 DEEERO C=C(C)[C@H](CO)[NH+]1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000623128230 364892842 /nfs/dbraw/zinc/89/28/42/364892842.db2.gz RJMITRSUJAVYDE-HNNXBMFYSA-N 1 0 306.406 2.028 10 30 DEEERO C=CC(C)(C)CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000623404241 365017566 /nfs/dbraw/zinc/01/75/66/365017566.db2.gz VKJTZZGAPABOLJ-HUUCEWRRSA-N 1 0 311.470 2.387 10 30 DEEERO C=CC[C@H]1CCN(C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000623631980 365109603 /nfs/dbraw/zinc/10/96/03/365109603.db2.gz DMHWYOUFRHZTKS-HNNXBMFYSA-N 1 0 309.454 2.095 10 30 DEEERO [NH3+]CC#Cc1cnccc1C(=O)Nc1ccc(F)cc1Cl ZINC000091461482 193059372 /nfs/dbraw/zinc/05/93/72/193059372.db2.gz MBEMUJZMEBKOPK-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO C=CCCCC[C@H](C)[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624117855 365294977 /nfs/dbraw/zinc/29/49/77/365294977.db2.gz XHDHQGNATUJSEC-GJZGRUSLSA-N 1 0 314.437 2.428 10 30 DEEERO CN(Cc1cc(C#CC[NH3+])cs1)C(=O)N1CCCCCC1 ZINC000091971837 193134130 /nfs/dbraw/zinc/13/41/30/193134130.db2.gz TUURUNBBKHMHTK-UHFFFAOYSA-N 1 0 305.447 2.486 10 30 DEEERO C[C@H]1CCCN(C(=O)N(C)Cc2csc(C#CC[NH3+])c2)C1 ZINC000091992510 193138545 /nfs/dbraw/zinc/13/85/45/193138545.db2.gz WHTABTUEDVVEPP-ZDUSSCGKSA-N 1 0 305.447 2.342 10 30 DEEERO C[N@@H+]1CCC[C@@H]2CN(Cc3cnc4ccc(C#N)cn34)CC[C@@H]21 ZINC000092043271 193145324 /nfs/dbraw/zinc/14/53/24/193145324.db2.gz FOPOLLCFXDBKBA-WBVHZDCISA-N 1 0 309.417 2.122 10 30 DEEERO C=CC[C@@H](Cc1ccccc1)n1cc(C[C@@H]([NH3+])COC)nn1 ZINC000630591702 367744558 /nfs/dbraw/zinc/74/45/58/367744558.db2.gz FILIVWTWANWJOR-WBVHZDCISA-N 1 0 300.406 2.154 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(CC[N@@H+](C)Cc2ccc(F)cc2)C1=O ZINC000630975744 367946405 /nfs/dbraw/zinc/94/64/05/367946405.db2.gz NQYLMYORPFHXBO-HNNXBMFYSA-N 1 0 319.380 2.144 10 30 DEEERO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H](C)N1CCOCC1 ZINC000358561424 296149913 /nfs/dbraw/zinc/14/99/13/296149913.db2.gz SEVGAKXKRTUERM-HZSPNIEDSA-N 1 0 305.397 2.457 10 30 DEEERO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(C#N)cc1F ZINC000453285951 245057680 /nfs/dbraw/zinc/05/76/80/245057680.db2.gz IFFCSSMZONBNFK-HIFRSBDPSA-N 1 0 305.397 2.195 10 30 DEEERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CCC#N)C(C)C)cc1 ZINC000042530097 183280903 /nfs/dbraw/zinc/28/09/03/183280903.db2.gz MZWUWOAOSAUHRP-CYBMUJFWSA-N 1 0 309.435 2.280 10 30 DEEERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N(CCC#N)C2CC2)c1 ZINC000042549792 183283915 /nfs/dbraw/zinc/28/39/15/183283915.db2.gz FCMKSRZYIPGNNP-OAHLLOKOSA-N 1 0 307.419 2.163 10 30 DEEERO CC(C)C[C@H](C)N(C)S(=O)(=O)c1ccc(C#CC[NH3+])cc1 ZINC000042598213 183289612 /nfs/dbraw/zinc/28/96/12/183289612.db2.gz LCIZURFIGXZYLF-AWEZNQCLSA-N 1 0 308.447 2.052 10 30 DEEERO C#CCOc1ccccc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000105905338 194167124 /nfs/dbraw/zinc/16/71/24/194167124.db2.gz MXXZDRYSEKZHHZ-QGZVFWFLSA-N 1 0 322.412 2.247 10 30 DEEERO CC[C@@H]1CN(Cc2ccc(F)cc2C#N)CC[N@@H+]1CCOC ZINC000106113080 194186623 /nfs/dbraw/zinc/18/66/23/194186623.db2.gz MTTWEJZHZQAPIO-QGZVFWFLSA-N 1 0 305.397 2.240 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000057879207 184060517 /nfs/dbraw/zinc/06/05/17/184060517.db2.gz TYLOTPFGLHMTDM-ZDUSSCGKSA-N 1 0 303.406 2.472 10 30 DEEERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)n1cnc(C#N)n1 ZINC000061841945 184189687 /nfs/dbraw/zinc/18/96/87/184189687.db2.gz WOUOFSZCDXHLTM-WCQYABFASA-N 1 0 320.194 2.239 10 30 DEEERO CC[C@@H]1CN(C(=O)c2ccc(C)cc2C#CC[NH3+])CCS1 ZINC000157981103 197233238 /nfs/dbraw/zinc/23/32/38/197233238.db2.gz BEJXODXQMYXDIE-OAHLLOKOSA-N 1 0 302.443 2.273 10 30 DEEERO Cc1cccc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c1C#N ZINC000156500684 197117570 /nfs/dbraw/zinc/11/75/70/197117570.db2.gz LDLSLJRNFJQRED-CQSZACIVSA-N 1 0 321.446 2.019 10 30 DEEERO N#Cc1c(NC(=O)[C@@H]2CCCCS2)sc2c1CC[NH2+]C2 ZINC000156257900 197099825 /nfs/dbraw/zinc/09/98/25/197099825.db2.gz SDMKJHUBVBPNKR-NSHDSACASA-N 1 0 307.444 2.490 10 30 DEEERO C[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)N1CCC[C@H](C)C1 ZINC000246760013 145113414 /nfs/dbraw/zinc/11/34/14/145113414.db2.gz MWROTCXDSONHJC-LSDHHAIUSA-N 1 0 311.433 2.416 10 30 DEEERO N#Cc1ccc(-c2nnc(CN3CC[N@@H+]4CCCC[C@H]4C3)o2)cc1 ZINC000248370385 145151862 /nfs/dbraw/zinc/15/18/62/145151862.db2.gz XLEXEFMOVPYHGY-INIZCTEOSA-N 1 0 323.400 2.278 10 30 DEEERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccnc(C#N)c1 ZINC000249159225 145180154 /nfs/dbraw/zinc/18/01/54/145180154.db2.gz YAJCNPIZGYSICH-RDTXWAMCSA-N 1 0 320.396 2.204 10 30 DEEERO N#Cc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000374724205 148283015 /nfs/dbraw/zinc/28/30/15/148283015.db2.gz VBLIKGHQTFGZJD-IAGOWNOFSA-N 1 0 300.402 2.216 10 30 DEEERO C=CCC[C@@H](C[N@@H+]1CCCOCC1)Oc1cccc(C#N)n1 ZINC000072473927 401709557 /nfs/dbraw/zinc/70/95/57/401709557.db2.gz RLALCOLNXWHYEN-INIZCTEOSA-N 1 0 301.390 2.389 10 30 DEEERO C[C@@H]1C[C@H](C)CN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000128122098 401763211 /nfs/dbraw/zinc/76/32/11/401763211.db2.gz KPQPPSJUEMGUAA-OKILXGFUSA-N 1 0 306.431 2.310 10 30 DEEERO CC(C)[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCOCC1 ZINC000077323554 401810158 /nfs/dbraw/zinc/81/01/58/401810158.db2.gz NYTYMRHTCYVORM-KRWDZBQOSA-N 1 0 318.417 2.187 10 30 DEEERO CC[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)CC[N@@H+]1CCOC ZINC000135050598 401925694 /nfs/dbraw/zinc/92/56/94/401925694.db2.gz LDFUXVKDBHPAQX-QGZVFWFLSA-N 1 0 317.433 2.109 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000124713897 402193347 /nfs/dbraw/zinc/19/33/47/402193347.db2.gz GAQDRLPAZOKGCL-NXEZZACHSA-N 1 0 311.332 2.016 10 30 DEEERO COc1ccc([C@H](C)C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000107569968 402235297 /nfs/dbraw/zinc/23/52/97/402235297.db2.gz VADWOSIMFMORKM-HNNXBMFYSA-N 1 0 317.433 2.493 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)CCc2ccccc2O)CC1 ZINC000106036906 402212249 /nfs/dbraw/zinc/21/22/49/402212249.db2.gz ZUTZSMJLRNGVIV-UHFFFAOYSA-N 1 0 302.418 2.482 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=[NH2+])NC2CCCCC2)C12CCOCC2 ZINC000184646531 402288048 /nfs/dbraw/zinc/28/80/48/402288048.db2.gz HQHXKNWKXPGLEL-LSDHHAIUSA-N 1 0 309.454 2.198 10 30 DEEERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000185322908 402343370 /nfs/dbraw/zinc/34/33/70/402343370.db2.gz FNWBEWHAKNRGMG-CQSZACIVSA-N 1 0 323.824 2.489 10 30 DEEERO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000177243272 402384998 /nfs/dbraw/zinc/38/49/98/402384998.db2.gz CKXFKFOHVATOON-QAPCUYQASA-N 1 0 318.848 2.344 10 30 DEEERO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@](C)(C#N)C(C)C ZINC000159734304 402329423 /nfs/dbraw/zinc/32/94/23/402329423.db2.gz XWZIOKKHKATXJB-MRXNPFEDSA-N 1 0 322.478 2.450 10 30 DEEERO Cc1cnn([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)c1 ZINC000246106041 402510673 /nfs/dbraw/zinc/51/06/73/402510673.db2.gz WYEWOHQOVPKMPT-ZWKOTPCHSA-N 1 0 310.401 2.434 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccccc1C#N ZINC000247411124 402566233 /nfs/dbraw/zinc/56/62/33/402566233.db2.gz QCAZNYMJQMFSOH-ZBFHGGJFSA-N 1 0 312.417 2.055 10 30 DEEERO N#Cc1ccc2nc(NC[C@H](O)C[NH+]3CCCCC3)ccc2c1 ZINC000179886940 402602906 /nfs/dbraw/zinc/60/29/06/402602906.db2.gz GWVHWDKPCAXCTG-INIZCTEOSA-N 1 0 310.401 2.365 10 30 DEEERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000180125259 402608259 /nfs/dbraw/zinc/60/82/59/402608259.db2.gz KUYLTOWNTMYKAL-MRXNPFEDSA-N 1 0 320.400 2.376 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000249050837 402618312 /nfs/dbraw/zinc/61/83/12/402618312.db2.gz ATGMJBCNNXDEGG-YOEHRIQHSA-N 1 0 309.413 2.285 10 30 DEEERO Cc1oc(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c(C#N)c1C ZINC000249541112 402634082 /nfs/dbraw/zinc/63/40/82/402634082.db2.gz DYVYNCFBCVAABG-DIFFPNOSSA-N 1 0 319.405 2.190 10 30 DEEERO N#Cc1ccc2ncc(CNC3CC[NH+](CC4CC4)CC3)n2c1 ZINC000172338845 402650920 /nfs/dbraw/zinc/65/09/20/402650920.db2.gz QAJJDRAAZGAKBA-UHFFFAOYSA-N 1 0 309.417 2.170 10 30 DEEERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(C#N)cn1 ZINC000182069089 402666064 /nfs/dbraw/zinc/66/60/64/402666064.db2.gz SZXRKBJAPQEVIL-AWEZNQCLSA-N 1 0 308.385 2.204 10 30 DEEERO C[C@@H]([NH2+]CCCSCC#N)c1ccc(S(C)(=O)=O)cc1 ZINC000182198866 402671275 /nfs/dbraw/zinc/67/12/75/402671275.db2.gz ACHXAMDXWAYUQA-GFCCVEGCSA-N 1 0 312.460 2.388 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000182832782 402720443 /nfs/dbraw/zinc/72/04/43/402720443.db2.gz QPEOYFAHFWDSHW-SJORKVTESA-N 1 0 319.449 2.306 10 30 DEEERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000182900135 402725549 /nfs/dbraw/zinc/72/55/49/402725549.db2.gz TYWSBHXYDHORFG-HOCLYGCPSA-N 1 0 315.417 2.041 10 30 DEEERO N#Cc1cc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)ccn1 ZINC000192626477 402740932 /nfs/dbraw/zinc/74/09/32/402740932.db2.gz WBBXSCVVULHRTR-UHFFFAOYSA-N 1 0 320.396 2.131 10 30 DEEERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccnc(C#N)c1 ZINC000192712904 402745750 /nfs/dbraw/zinc/74/57/50/402745750.db2.gz HOSKNMXTUNGZMN-CQSZACIVSA-N 1 0 300.406 2.338 10 30 DEEERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000173965815 402721996 /nfs/dbraw/zinc/72/19/96/402721996.db2.gz CXQCUOZYAVULGS-LBPRGKRZSA-N 1 0 305.344 2.413 10 30 DEEERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(C#N)cc1 ZINC000194869750 402820094 /nfs/dbraw/zinc/82/00/94/402820094.db2.gz OGOGWWCMSADOAZ-IBGZPJMESA-N 1 0 321.424 2.390 10 30 DEEERO C[NH+](C)[C@@H](CNC(=O)c1ccnc(C#N)c1)c1cccc(F)c1 ZINC000195078728 402830199 /nfs/dbraw/zinc/83/01/99/402830199.db2.gz WFALBPZYCQPHNP-INIZCTEOSA-N 1 0 312.348 2.125 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000175853566 402837717 /nfs/dbraw/zinc/83/77/17/402837717.db2.gz BLJPQLIZNFYQJG-UHFFFAOYSA-N 1 0 316.449 2.481 10 30 DEEERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271985845 402887707 /nfs/dbraw/zinc/88/77/07/402887707.db2.gz XVKAILQOBMYSQF-GUYCJALGSA-N 1 0 309.413 2.454 10 30 DEEERO N#Cc1cc2c(nc1NCCCC[NH+]1CCOCC1)CCCC2 ZINC000271018545 403253987 /nfs/dbraw/zinc/25/39/87/403253987.db2.gz YWWAUOGXFKLICU-UHFFFAOYSA-N 1 0 314.433 2.356 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000277780143 403255770 /nfs/dbraw/zinc/25/57/70/403255770.db2.gz UEMGUWJDAQKNLP-INIZCTEOSA-N 1 0 300.402 2.442 10 30 DEEERO C=C(C)CCN1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284811376 403272248 /nfs/dbraw/zinc/27/22/48/403272248.db2.gz PGUUDQGVOJYUHF-UHFFFAOYSA-N 1 0 308.447 2.261 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000287012506 403553007 /nfs/dbraw/zinc/55/30/07/403553007.db2.gz HUNXKQUMCUSLMO-KRWDZBQOSA-N 1 0 313.445 2.405 10 30 DEEERO C=CCN(CCC#N)C(=O)c1ccccc1OCC[NH+](C)C ZINC000293615155 403519109 /nfs/dbraw/zinc/51/91/09/403519109.db2.gz BSRZUGWTSKHSHU-UHFFFAOYSA-N 1 0 301.390 2.169 10 30 DEEERO C=CC[C@@H](CO)C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000346625562 403595907 /nfs/dbraw/zinc/59/59/07/403595907.db2.gz PYCOLUJWBGCBCX-CXAGYDPISA-N 1 0 301.365 2.479 10 30 DEEERO C=CCNC(=O)CNc1cc(C)[nH+]c2ccc(OC(F)F)cc12 ZINC000346253324 403581976 /nfs/dbraw/zinc/58/19/76/403581976.db2.gz ARDJTDADYDGDKI-UHFFFAOYSA-N 1 0 321.327 2.281 10 30 DEEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000305073612 403819342 /nfs/dbraw/zinc/81/93/42/403819342.db2.gz KFCQCOAHOUVEAZ-WBVHZDCISA-N 1 0 318.417 2.425 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000362807411 403989421 /nfs/dbraw/zinc/98/94/21/403989421.db2.gz HDCSKOSINCGBQD-YDHLFZDLSA-N 1 0 308.447 2.448 10 30 DEEERO C#Cc1ccccc1CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000289472979 403979900 /nfs/dbraw/zinc/97/99/00/403979900.db2.gz DQHSZCKCHVZXLY-FQEVSTJZSA-N 1 0 320.436 2.500 10 30 DEEERO C[C@H]1CN(c2cnc(C#N)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000324159429 404098435 /nfs/dbraw/zinc/09/84/35/404098435.db2.gz PLDCHMWJFZJPOQ-OAHLLOKOSA-N 1 0 307.401 2.307 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000320254208 404062873 /nfs/dbraw/zinc/06/28/73/404062873.db2.gz IQWAEBYWPSOQKP-JTQLQIEISA-N 1 0 314.179 2.204 10 30 DEEERO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1ccccc1OC ZINC000296145004 404115306 /nfs/dbraw/zinc/11/53/06/404115306.db2.gz JGNXKQYSFSJKKG-CQSZACIVSA-N 1 0 303.406 2.011 10 30 DEEERO C=CCc1cc(C[NH2+]C2CCC(C(N)=O)CC2)cc(OC)c1O ZINC000344416560 404121879 /nfs/dbraw/zinc/12/18/79/404121879.db2.gz ICOSYZJPNVEQMN-UHFFFAOYSA-N 1 0 318.417 2.263 10 30 DEEERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328667923 404127301 /nfs/dbraw/zinc/12/73/01/404127301.db2.gz LETOHHBAGAMJNH-CABCVRRESA-N 1 0 324.469 2.258 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000363735916 404219753 /nfs/dbraw/zinc/21/97/53/404219753.db2.gz LQMSZBBVJKBZCM-WBVHZDCISA-N 1 0 315.373 2.109 10 30 DEEERO C=CCOc1cccc(NS(=O)(=O)CC[NH+](CC)CC)c1 ZINC000352242318 404240973 /nfs/dbraw/zinc/24/09/73/404240973.db2.gz TVHROUJLZVOITQ-UHFFFAOYSA-N 1 0 312.435 2.335 10 30 DEEERO C=CCC[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)C(=O)OCC ZINC000412401248 404284817 /nfs/dbraw/zinc/28/48/17/404284817.db2.gz XJJSDEFMIASBDL-HUUCEWRRSA-N 1 0 310.438 2.265 10 30 DEEERO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)C[NH+]1CCCCC1 ZINC000329499597 404357471 /nfs/dbraw/zinc/35/74/71/404357471.db2.gz HBXBXONSPMJSKC-QKPAOTATSA-N 1 0 310.438 2.116 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1COCCN1CC1CCC1 ZINC000329534006 404368048 /nfs/dbraw/zinc/36/80/48/404368048.db2.gz YKRMRNWKXJHHTH-IKGGRYGDSA-N 1 0 322.449 2.425 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000329957561 404507711 /nfs/dbraw/zinc/50/77/11/404507711.db2.gz MALCPNPFWCFYHR-CJNGLKHVSA-N 1 0 310.442 2.268 10 30 DEEERO C[C@@H](C(=O)Nc1nccs1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330115579 404556805 /nfs/dbraw/zinc/55/68/05/404556805.db2.gz FSZUPLDNNIMRTG-VHSXEESVSA-N 1 0 306.395 2.117 10 30 DEEERO C=CCCN(C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000342536688 404638222 /nfs/dbraw/zinc/63/82/22/404638222.db2.gz MMHSCCBLESVIQB-UHFFFAOYSA-N 1 0 322.497 2.154 10 30 DEEERO C=C(C)CN(CC)C(=O)CN1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000373966499 404658368 /nfs/dbraw/zinc/65/83/68/404658368.db2.gz BMSUBFKJPIOHJD-RYRKJORJSA-N 1 0 324.465 2.069 10 30 DEEERO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+](CC)CC1 ZINC000359112864 404784161 /nfs/dbraw/zinc/78/41/61/404784161.db2.gz ZXFSWVNDDWNHIJ-UHFFFAOYSA-N 1 0 301.394 2.256 10 30 DEEERO C=CCNC(=O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360983581 404869063 /nfs/dbraw/zinc/86/90/63/404869063.db2.gz OPSLNAQOPFBJMJ-UHFFFAOYSA-N 1 0 304.390 2.034 10 30 DEEERO C=CCC[C@@H](NC(=O)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000435721627 405006930 /nfs/dbraw/zinc/00/69/30/405006930.db2.gz DSXHWOCMMGXYND-GOSISDBHSA-N 1 0 315.461 2.448 10 30 DEEERO C=CCN(CCOC)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415968220 404987282 /nfs/dbraw/zinc/98/72/82/404987282.db2.gz DSUBSTXHFYODAB-UHFFFAOYSA-N 1 0 307.369 2.138 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)c2cc3nc[nH]c3cc2F)CC1 ZINC000425163264 405252502 /nfs/dbraw/zinc/25/25/02/405252502.db2.gz CFAGYSLADRETOK-UHFFFAOYSA-N 1 0 302.353 2.082 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000454532419 405359172 /nfs/dbraw/zinc/35/91/72/405359172.db2.gz CDRXKLYXSGJDOQ-WBVHZDCISA-N 1 0 323.481 2.387 10 30 DEEERO C=CC(C)(C)CCNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638455541 405479917 /nfs/dbraw/zinc/47/99/17/405479917.db2.gz XDCCHFXIAVPEBO-MRXNPFEDSA-N 1 0 303.450 2.164 10 30 DEEERO C=CCOc1cccc(C[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000449394594 405543684 /nfs/dbraw/zinc/54/36/84/405543684.db2.gz OBCURGUUVXGIOT-QGZVFWFLSA-N 1 0 304.434 2.188 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000459041121 405709726 /nfs/dbraw/zinc/70/97/26/405709726.db2.gz MABUKLPZNQXELP-WCVJEAGWSA-N 1 0 309.454 2.092 10 30 DEEERO C=CCC1(CNC(=O)NCCNc2cc[nH+]cc2)CCCC1 ZINC000459053245 405717273 /nfs/dbraw/zinc/71/72/73/405717273.db2.gz QTNCMYNQVSWHPQ-UHFFFAOYSA-N 1 0 302.422 2.351 10 30 DEEERO C=C1CC(C)(C(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)C1 ZINC000633694051 405794804 /nfs/dbraw/zinc/79/48/04/405794804.db2.gz HNDILKVBKTUZAZ-UHFFFAOYSA-N 1 0 306.450 2.446 10 30 DEEERO C=CCc1ccc(OCC(=O)N(C)CCC[NH+](C)C)c(OC)c1 ZINC000561311008 405919894 /nfs/dbraw/zinc/91/98/94/405919894.db2.gz YOXGHLZMFSWRCM-UHFFFAOYSA-N 1 0 320.433 2.213 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1cnc(C)o1)C(C)C ZINC000639518032 406124590 /nfs/dbraw/zinc/12/45/90/406124590.db2.gz WPDYHJBIPFXSBX-INIZCTEOSA-N 1 0 305.422 2.340 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000570079491 406342088 /nfs/dbraw/zinc/34/20/88/406342088.db2.gz LNUNCZKXZYRGNG-HOCLYGCPSA-N 1 0 303.406 2.461 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000632867674 406299358 /nfs/dbraw/zinc/29/93/58/406299358.db2.gz FKQBRBXMXQWQHE-UHFFFAOYSA-N 1 0 324.513 2.306 10 30 DEEERO C=CCNC(=O)Nc1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000635176462 406449757 /nfs/dbraw/zinc/44/97/57/406449757.db2.gz PMTOWDMYTWNONX-ZDUSSCGKSA-N 1 0 316.405 2.274 10 30 DEEERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000188593334 304463309 /nfs/dbraw/zinc/46/33/09/304463309.db2.gz LQERLZHGLLFFCF-NKWVEPMBSA-N 1 0 322.224 2.030 10 30 DEEERO CCCCOCCNC(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129108151 196020466 /nfs/dbraw/zinc/02/04/66/196020466.db2.gz UMCHHGIKPPTVCQ-UHFFFAOYSA-N 1 0 308.809 2.197 10 30 DEEERO [NH3+]CC#Cc1ccc(F)cc1C(=O)NCCCC(F)(F)F ZINC000131052539 196135950 /nfs/dbraw/zinc/13/59/50/196135950.db2.gz BRUKNDGMARRSOJ-UHFFFAOYSA-N 1 0 302.271 2.208 10 30 DEEERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c(O)c1 ZINC000188346556 225016934 /nfs/dbraw/zinc/01/69/34/225016934.db2.gz QLOBZFIBSVKKDM-KRWDZBQOSA-N 1 0 323.396 2.167 10 30 DEEERO CO[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1C ZINC000189255579 225047031 /nfs/dbraw/zinc/04/70/31/225047031.db2.gz RFZGSPPQUPVDAM-BBRMVZONSA-N 1 0 301.390 2.244 10 30 DEEERO CN(C)C(=[NH+]CCN1CCc2c(Cl)cccc2C1)N(C)C ZINC000189387222 225050380 /nfs/dbraw/zinc/05/03/80/225050380.db2.gz CMFOCILGPNKZCY-UHFFFAOYSA-N 1 0 308.857 2.177 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NC[C@H]1COc2ccccc21 ZINC000262328368 225269007 /nfs/dbraw/zinc/26/90/07/225269007.db2.gz XJUGWEMWAWXCMF-LBPRGKRZSA-N 1 0 301.415 2.371 10 30 DEEERO [NH2+]=C(NCC1(CO)CC(c2ccccc2)C1)NC1CCCC1 ZINC000262906890 225288768 /nfs/dbraw/zinc/28/87/68/225288768.db2.gz YEIXGJOZXGJIIF-UHFFFAOYSA-N 1 0 301.434 2.390 10 30 DEEERO [NH2+]=C(NCCc1cccs1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000261613119 225252603 /nfs/dbraw/zinc/25/26/03/225252603.db2.gz GDMWCZUTLBNUOL-MCIONIFRSA-N 1 0 305.447 2.153 10 30 DEEERO CN(C(=O)CNC(=O)CC1CCCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000329430094 225878004 /nfs/dbraw/zinc/87/80/04/225878004.db2.gz HLVQZSAPFHNMIR-INIZCTEOSA-N 1 0 321.465 2.466 10 30 DEEERO N#C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000333650622 226109122 /nfs/dbraw/zinc/10/91/22/226109122.db2.gz JTVVMIIOGFIGBG-IKGGRYGDSA-N 1 0 312.417 2.077 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000333828130 226110862 /nfs/dbraw/zinc/11/08/62/226110862.db2.gz LACXOLDUAJQBNV-BBRMVZONSA-N 1 0 304.438 2.242 10 30 DEEERO Cc1ccc(NCc2cccnc2N2CC[NH+](C)CC2)nc1C#N ZINC000302682324 230347442 /nfs/dbraw/zinc/34/74/42/230347442.db2.gz XHCWOWIPMYBJEY-UHFFFAOYSA-N 1 0 322.416 2.021 10 30 DEEERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnc(C#N)c2)C1 ZINC000192855614 267014368 /nfs/dbraw/zinc/01/43/68/267014368.db2.gz IDKLVNZVWNGJEP-CYBMUJFWSA-N 1 0 300.406 2.194 10 30 DEEERO N#Cc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000128420899 274925308 /nfs/dbraw/zinc/92/53/08/274925308.db2.gz WSMACQMFDKGKBJ-IRXDYDNUSA-N 1 0 323.400 2.467 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn(C(C)C)nn1)C(C)C ZINC000340303220 276892084 /nfs/dbraw/zinc/89/20/84/276892084.db2.gz VIXLEUNOXKOOTE-MRXNPFEDSA-N 1 0 319.453 2.287 10 30 DEEERO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000329611694 277320494 /nfs/dbraw/zinc/32/04/94/277320494.db2.gz JUIHNUMWPGCVEP-OCCSQVGLSA-N 1 0 316.467 2.077 10 30 DEEERO C=C(C)C[NH+]1CCC(Nc2nccc(-c3cnccn3)n2)CC1 ZINC000560201679 332318647 /nfs/dbraw/zinc/31/86/47/332318647.db2.gz TXQXNZNEBYQPBJ-UHFFFAOYSA-N 1 0 310.405 2.386 10 30 DEEERO C#Cc1ccc(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000295594274 335136267 /nfs/dbraw/zinc/13/62/67/335136267.db2.gz WQQBSDAUVBRKSQ-SFHVURJKSA-N 1 0 314.429 2.077 10 30 DEEERO C=CCC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000357087578 336573229 /nfs/dbraw/zinc/57/32/29/336573229.db2.gz RARRBFNDUITCKB-IAGOWNOFSA-N 1 0 320.477 2.428 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)Nc2cnc(CC3CC3)nc2)CC1 ZINC000572265100 337600731 /nfs/dbraw/zinc/60/07/31/337600731.db2.gz GVKWGIOAYKBVSI-UHFFFAOYSA-N 1 0 315.421 2.201 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000076733799 341213106 /nfs/dbraw/zinc/21/31/06/341213106.db2.gz AVZSAFLVQIVXLK-UHFFFAOYSA-N 1 0 319.424 2.372 10 30 DEEERO C=CCCC[N@@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000076734473 341213194 /nfs/dbraw/zinc/21/31/94/341213194.db2.gz KUCFSOOXQNALOS-UHFFFAOYSA-N 1 0 303.406 2.301 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@@H](C)C2CCCCC2)CC1 ZINC000549342727 341291716 /nfs/dbraw/zinc/29/17/16/341291716.db2.gz PFYAJDABYHFIID-MRXNPFEDSA-N 1 0 307.482 2.123 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCOC[C@@H]1C)C(C)C ZINC000248842304 341388346 /nfs/dbraw/zinc/38/83/46/341388346.db2.gz RIPFZEMKXWPNEQ-GVDBMIGSSA-N 1 0 308.466 2.474 10 30 DEEERO C#CCOC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)[C@H](C)CC ZINC000036098389 518304862 /nfs/dbraw/zinc/30/48/62/518304862.db2.gz LXKXABYXWRFLLG-WBVHZDCISA-N 1 0 305.418 2.306 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)CCOc1ccc(C#N)cc1OC ZINC000175359317 521652290 /nfs/dbraw/zinc/65/22/90/521652290.db2.gz IFPDLKDLWHPJRG-INIZCTEOSA-N 1 0 317.433 2.362 10 30 DEEERO CNC(NCc1nc(COC)sc1-c1ccccc1)=[NH+]C ZINC000262782751 526344399 /nfs/dbraw/zinc/34/43/99/526344399.db2.gz LKKSCSBLCYMXQT-UHFFFAOYSA-N 1 0 304.419 2.251 10 30 DEEERO C[NH+]=C(NCC(=O)NC1CCCCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261838072 526347538 /nfs/dbraw/zinc/34/75/38/526347538.db2.gz WAFDQMNXLFPPDX-GJZGRUSLSA-N 1 0 320.481 2.133 10 30 DEEERO C[NH+]=C(NCC1CCCCC1)NCC1(C(=O)N(C)C)CCCC1 ZINC000262371031 526351355 /nfs/dbraw/zinc/35/13/55/526351355.db2.gz IOPBGYCAVNKYOM-UHFFFAOYSA-N 1 0 322.497 2.380 10 30 DEEERO C[NH+]=C(NCc1ccnc(OC)c1)N(C)Cc1csc(C)n1 ZINC000261836304 526386737 /nfs/dbraw/zinc/38/67/37/526386737.db2.gz VTRUHSKPHLPKRC-UHFFFAOYSA-N 1 0 319.434 2.063 10 30 DEEERO C[NH+]=C(NCc1ccsc1)NC[C@](C)(O)c1ccc(C)o1 ZINC000262373556 526387412 /nfs/dbraw/zinc/38/74/12/526387412.db2.gz KHQSZEYBHDEFGO-HNNXBMFYSA-N 1 0 307.419 2.222 10 30 DEEERO C=CCOCCN1CC[N@H+](CCOCC=C)[C@@H]2CCCC[C@H]21 ZINC000339734992 526773387 /nfs/dbraw/zinc/77/33/87/526773387.db2.gz VACQWMUJEQYGNF-QZTJIDSGSA-N 1 0 308.466 2.320 10 30 DEEERO C=CCOCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000378588312 526773999 /nfs/dbraw/zinc/77/39/99/526773999.db2.gz LSWGAZXTESOJSB-UHFFFAOYSA-N 1 0 302.418 2.217 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418133276 526846170 /nfs/dbraw/zinc/84/61/70/526846170.db2.gz KEGRUXUUHRXPLY-LSDHHAIUSA-N 1 0 309.454 2.319 10 30 DEEERO C=CC[C@@H](CO)NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418486308 527092711 /nfs/dbraw/zinc/09/27/11/527092711.db2.gz IUBFBBAJAZKOLZ-IRXDYDNUSA-N 1 0 313.401 2.076 10 30 DEEERO C#CCOc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)cc1 ZINC000246879447 527096670 /nfs/dbraw/zinc/09/66/70/527096670.db2.gz FUJORKISGAIOFR-IRXDYDNUSA-N 1 0 312.413 2.397 10 30 DEEERO C=CC[C@@H]1N(C(=O)CN2CC[NH+](CC)CC2)CCCC1(C)C ZINC000444631421 527115441 /nfs/dbraw/zinc/11/54/41/527115441.db2.gz LQVYSGJZVFXNCK-INIZCTEOSA-N 1 0 307.482 2.217 10 30 DEEERO C#CCOc1ccccc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000360052358 527128900 /nfs/dbraw/zinc/12/89/00/527128900.db2.gz BBGRCFUGXBHJLX-FUHWJXTLSA-N 1 0 301.386 2.126 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000339734347 527175811 /nfs/dbraw/zinc/17/58/11/527175811.db2.gz QVKMCDJOWVEERG-UHFFFAOYSA-N 1 0 323.481 2.182 10 30 DEEERO C=CC[C@H](CO)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000189092261 527193215 /nfs/dbraw/zinc/19/32/15/527193215.db2.gz BWDSWDVWTQILCB-QGZVFWFLSA-N 1 0 316.445 2.342 10 30 DEEERO C=CCCCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000448382797 527217568 /nfs/dbraw/zinc/21/75/68/527217568.db2.gz AFQPOPKZQHKWEM-IAGOWNOFSA-N 1 0 322.497 2.153 10 30 DEEERO C=CCCC[NH2+][C@H](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000448029993 527235343 /nfs/dbraw/zinc/23/53/43/527235343.db2.gz RJFRZQHXNZTOLM-CQSZACIVSA-N 1 0 310.438 2.123 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458210907 535870609 /nfs/dbraw/zinc/87/06/09/535870609.db2.gz FRCSXIZZSMPRMK-UHFFFAOYSA-N 1 0 316.430 2.162 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc2c1OCCO2 ZINC000121428677 649979080 /nfs/dbraw/zinc/97/90/80/649979080.db2.gz ZSDXSTFJTJSICN-AWEZNQCLSA-N 1 0 317.385 2.348 10 30 DEEERO COCC1(CNc2nc(Cl)c(C#N)s2)CC[NH2+]CC1 ZINC000311559377 625404745 /nfs/dbraw/zinc/40/47/45/625404745.db2.gz MTTUUDXPCDJDJK-UHFFFAOYSA-N 1 0 300.815 2.096 10 30 DEEERO C[NH+]=C(NCc1nc(C)no1)N(C)Cc1ccc(Cl)cc1 ZINC000073761984 636459733 /nfs/dbraw/zinc/45/97/33/636459733.db2.gz WTPGGUHOBQVBCH-UHFFFAOYSA-N 1 0 307.785 2.239 10 30 DEEERO C#CCOc1cc(F)ccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000743198165 638123850 /nfs/dbraw/zinc/12/38/50/638123850.db2.gz NAFGEGYZTBYEGO-UHFFFAOYSA-N 1 0 319.380 2.396 10 30 DEEERO COc1cccc(/C(C)=C\C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000751377018 639075987 /nfs/dbraw/zinc/07/59/87/639075987.db2.gz PLZCAHSKGNYIKB-KAMYIIQDSA-N 1 0 313.401 2.203 10 30 DEEERO C[C@H](CNC(=O)NCc1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000729878355 640849366 /nfs/dbraw/zinc/84/93/66/640849366.db2.gz QRWKXRPDYACUBA-CYBMUJFWSA-N 1 0 318.396 2.371 10 30 DEEERO C#CCCCC[NH2+]Cc1cc2c(cc1OCCOC)OCO2 ZINC000150733322 646075387 /nfs/dbraw/zinc/07/53/87/646075387.db2.gz CLSWJOMPTWJGOY-UHFFFAOYSA-N 1 0 305.374 2.334 10 30 DEEERO [NH2+]=C(NCc1ccccc1OC1CCC1)NC[C@H]1CCCO1 ZINC000172487776 646738624 /nfs/dbraw/zinc/73/86/24/646738624.db2.gz UHIVJLRWEUZZNA-OAHLLOKOSA-N 1 0 303.406 2.201 10 30 DEEERO C[NH+]=C(NCCC1CCCC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000175576754 648354199 /nfs/dbraw/zinc/35/41/99/648354199.db2.gz PFEUMLOZOLTVPM-OAHLLOKOSA-N 1 0 303.454 2.365 10 30 DEEERO C[C@@H]1CCCN(C(=[NH2+])NCCc2csc(N3CCCC3)n2)C1 ZINC000304761671 685260096 /nfs/dbraw/zinc/26/00/96/685260096.db2.gz USSAYVKFCGMDKD-CYBMUJFWSA-N 1 0 321.494 2.332 10 30 DEEERO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000353098002 685343373 /nfs/dbraw/zinc/34/33/73/685343373.db2.gz OHPILFSUFNEBMX-ZFWWWQNUSA-N 1 0 315.417 2.271 10 30 DEEERO C=CCOc1ccccc1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000120807785 684101117 /nfs/dbraw/zinc/10/11/17/684101117.db2.gz PZJQSQBNQAVWEE-UHFFFAOYSA-N 1 0 309.431 2.166 10 30 DEEERO N#CCOc1cc(F)ccc1NC(=O)N1CCN(C2CC2)CC1 ZINC000135282935 684233670 /nfs/dbraw/zinc/23/36/70/684233670.db2.gz CPELQDLJLCQLDL-UHFFFAOYSA-N 1 0 318.352 2.040 10 30 DEEERO [NH2+]=C(NCCCCOc1ccc(F)cc1)NC[C@@H]1CCCO1 ZINC000195522287 685101188 /nfs/dbraw/zinc/10/11/88/685101188.db2.gz SOLLYRROFTVMCW-HNNXBMFYSA-N 1 0 309.385 2.068 10 30 DEEERO COCCOc1cccc(CNC(=[NH2+])NC2CCCCC2)c1 ZINC000303905334 685240497 /nfs/dbraw/zinc/24/04/97/685240497.db2.gz VLTVIKPTRIRFRS-UHFFFAOYSA-N 1 0 305.422 2.449 10 30 DEEERO N#Cc1ccc(NCCN2CCC([NH3+])CC2)c(Br)c1 ZINC000721965274 782285717 /nfs/dbraw/zinc/28/57/17/782285717.db2.gz ZCRASSQRLSWFHR-UHFFFAOYSA-N 1 0 323.238 2.156 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724067476 777234506 /nfs/dbraw/zinc/23/45/06/777234506.db2.gz IDVANPZDRQGWJD-QLFBSQMISA-N 1 0 310.438 2.308 10 30 DEEERO CN(c1ccc(C#N)cc1Br)C1(C[NH3+])CCOCC1 ZINC000725008310 777555715 /nfs/dbraw/zinc/55/57/15/777555715.db2.gz QPVIONFMFILVFQ-UHFFFAOYSA-N 1 0 324.222 2.265 10 30 DEEERO C#CC[NH+]1CCC(NC(=O)c2ccccc2Br)CC1 ZINC000586045647 791867304 /nfs/dbraw/zinc/86/73/04/791867304.db2.gz BKSUCSLGEXUKPU-UHFFFAOYSA-N 1 0 321.218 2.277 10 30 DEEERO C#CC[C@H](COC)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000716858047 793000706 /nfs/dbraw/zinc/00/07/06/793000706.db2.gz WRPQUKOKIIEEME-YMAMQOFZSA-N 1 0 310.438 2.450 10 30 DEEERO CCC[NH2+]Cc1cccc(Cl)c1OCC(=O)NCCC#N ZINC000165275925 197673139 /nfs/dbraw/zinc/67/31/39/197673139.db2.gz HECZPLIGZLSTSG-UHFFFAOYSA-N 1 0 309.797 2.248 10 30 DEEERO COc1ccc(C#CCO)c(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000087787316 185231718 /nfs/dbraw/zinc/23/17/18/185231718.db2.gz KDUNHOUMFYHIFJ-OKILXGFUSA-N 1 0 305.443 2.365 10 30 DEEERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(Cl)ccc1C#N ZINC000090540869 185301819 /nfs/dbraw/zinc/30/18/19/185301819.db2.gz SNTABWJGLLNOEH-TZMCWYRMSA-N 1 0 307.781 2.165 10 30 DEEERO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(C#N)o2)CC1 ZINC000092665092 185332499 /nfs/dbraw/zinc/33/24/99/185332499.db2.gz FNOGBGXITDXGRU-IYBDPMFKSA-N 1 0 316.449 2.142 10 30 DEEERO C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CCC(=O)N3)cn2)CC1 ZINC000328695582 530050955 /nfs/dbraw/zinc/05/09/55/530050955.db2.gz TWFNCOCKMQJCSA-ZDUSSCGKSA-N 1 0 318.377 2.262 10 30 DEEERO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC#CCN1C(=O)c2ccccc2C1=O ZINC000625556646 365828419 /nfs/dbraw/zinc/82/84/19/365828419.db2.gz BBCRGFZVSDZKDI-IYBDPMFKSA-N 1 0 320.392 2.469 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(COC)c2)C1 ZINC000625701456 365875449 /nfs/dbraw/zinc/87/54/49/365875449.db2.gz RSBWVNSSBITEMG-OAHLLOKOSA-N 1 0 302.418 2.347 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000625704941 365876903 /nfs/dbraw/zinc/87/69/03/365876903.db2.gz VYLZRWYXGSOIKE-DOTOQJQBSA-N 1 0 318.417 2.283 10 30 DEEERO C=CCOc1ccc(C[NH2+]CCc2cnn(C)c2)cc1OC ZINC000069786570 190818094 /nfs/dbraw/zinc/81/80/94/190818094.db2.gz ZYNKLIZTILSKIZ-UHFFFAOYSA-N 1 0 301.390 2.326 10 30 DEEERO CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000164063645 186147552 /nfs/dbraw/zinc/14/75/52/186147552.db2.gz DSBUFKGLDVYELQ-OAHLLOKOSA-N 1 0 315.417 2.316 10 30 DEEERO C=CCC1([NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)CCCCC1 ZINC000625935195 365961646 /nfs/dbraw/zinc/96/16/46/365961646.db2.gz QOHQYFNRILXCIJ-MRXNPFEDSA-N 1 0 306.450 2.492 10 30 DEEERO COc1ccsc1C(=O)Nc1ccc(F)c(C#CC[NH3+])c1 ZINC000164361654 186157514 /nfs/dbraw/zinc/15/75/14/186157514.db2.gz BMRDZYBMXSJMDM-UHFFFAOYSA-N 1 0 304.346 2.458 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@@H](C)COCc2ccccc2)CC1 ZINC000172957590 198170503 /nfs/dbraw/zinc/17/05/03/198170503.db2.gz YWFXXTGAAIDPOJ-INIZCTEOSA-N 1 0 314.429 2.053 10 30 DEEERO C#CCOc1ccc(F)cc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173470577 198218184 /nfs/dbraw/zinc/21/81/84/198218184.db2.gz POMOACXNAWBNCQ-CQSZACIVSA-N 1 0 317.364 2.150 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173650839 198236121 /nfs/dbraw/zinc/23/61/21/198236121.db2.gz JGISEMAUBVSTPW-GOEBONIOSA-N 1 0 302.422 2.146 10 30 DEEERO CC#CCCCC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617704231 363228311 /nfs/dbraw/zinc/22/83/11/363228311.db2.gz ZDSZJOBNYSONMS-SFHVURJKSA-N 1 0 314.429 2.063 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCCCC[C@@H]2CCO)CC1 ZINC000352822780 540065773 /nfs/dbraw/zinc/06/57/73/540065773.db2.gz ZJDAHWBIPRQDIW-QGZVFWFLSA-N 1 0 323.481 2.364 10 30 DEEERO CNC(=[NH+]N)c1cc(Br)cc(Br)c1 ZINC000234514052 356287659 /nfs/dbraw/zinc/28/76/59/356287659.db2.gz KNRAYOZNDDGACO-UHFFFAOYSA-N 1 0 306.989 2.051 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000626844033 366343657 /nfs/dbraw/zinc/34/36/57/366343657.db2.gz FJUUZRDIGJAFSV-CHWSQXEVSA-N 1 0 301.390 2.069 10 30 DEEERO C=C[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000397890204 356719708 /nfs/dbraw/zinc/71/97/08/356719708.db2.gz FWEKQIMGAHXLKM-FUHWJXTLSA-N 1 0 302.418 2.358 10 30 DEEERO CCC[C@@H]1CN(c2cc(C#N)cc(C)n2)CC[N@@H+]1CCOC ZINC000588009576 357388301 /nfs/dbraw/zinc/38/83/01/357388301.db2.gz VJBHGEXHLKITBA-MRXNPFEDSA-N 1 0 302.422 2.199 10 30 DEEERO N#Cc1cc(Br)cnc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000591439696 357722553 /nfs/dbraw/zinc/72/25/53/357722553.db2.gz WXFWBMVUOXOIKZ-AWEZNQCLSA-N 1 0 321.222 2.296 10 30 DEEERO C=CCCCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000594577419 358296192 /nfs/dbraw/zinc/29/61/92/358296192.db2.gz PWSFGJZJEBXRDY-UHFFFAOYSA-N 1 0 307.419 2.063 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2cc(C(=O)OC)ccc2F)CCC[NH2+]1 ZINC000595924382 358581894 /nfs/dbraw/zinc/58/18/94/358581894.db2.gz IZKQOEVZIRMUDB-INIZCTEOSA-N 1 0 306.337 2.249 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@@H]21 ZINC000599653441 359558894 /nfs/dbraw/zinc/55/88/94/359558894.db2.gz NYLGWIDAELKIBU-JYJNAYRXSA-N 1 0 322.449 2.075 10 30 DEEERO C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@H]1C[NH3+] ZINC000600884840 359851113 /nfs/dbraw/zinc/85/11/13/359851113.db2.gz GBMPBUONMFDNME-PSASIEDQSA-N 1 0 312.186 2.491 10 30 DEEERO N#Cc1cc(Br)cnc1N1CC([NH+]2CCCC2)C1 ZINC000601193932 359959368 /nfs/dbraw/zinc/95/93/68/359959368.db2.gz SKROIOURRSOAAZ-UHFFFAOYSA-N 1 0 307.195 2.000 10 30 DEEERO C=C(C)C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)C(=O)OC ZINC000601788104 360150594 /nfs/dbraw/zinc/15/05/94/360150594.db2.gz QMLZRQOHVDZSCS-JKSUJKDBSA-N 1 0 318.417 2.303 10 30 DEEERO N#C[C@@H]1CCCC[C@H]1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602887011 360609765 /nfs/dbraw/zinc/60/97/65/360609765.db2.gz TZKDIMLJQNCNEW-OTWHNJEPSA-N 1 0 313.445 2.295 10 30 DEEERO Cc1cc(C[NH2+]Cc2cccc(N3CCOCC3)n2)ccc1C#N ZINC000444000824 238135378 /nfs/dbraw/zinc/13/53/78/238135378.db2.gz FXPDBPOBJGVEJO-UHFFFAOYSA-N 1 0 322.412 2.388 10 30 DEEERO COCC[N@@H+]1CCN(c2cc(C#N)c3ccccc3n2)C[C@H]1C ZINC000610276612 361378288 /nfs/dbraw/zinc/37/82/88/361378288.db2.gz UNMWIUYWECFODH-CQSZACIVSA-N 1 0 310.401 2.263 10 30 DEEERO COCCCn1nccc1CNCc1ccc(C#N)cc1F ZINC000619798733 363877985 /nfs/dbraw/zinc/87/79/85/363877985.db2.gz XMHVCUCGAFLXAN-UHFFFAOYSA-N 1 0 302.353 2.220 10 30 DEEERO C=CCOCCCC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620916462 364201236 /nfs/dbraw/zinc/20/12/36/364201236.db2.gz WNGWHOJIYKLCEF-MRXNPFEDSA-N 1 0 324.465 2.071 10 30 DEEERO N#Cc1c2c(sc1NC(=O)c1csc(CC[NH3+])n1)CCC2 ZINC000090952254 192964135 /nfs/dbraw/zinc/96/41/35/192964135.db2.gz XZGCOTPVFSIGPG-UHFFFAOYSA-N 1 0 318.427 2.318 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623554285 365076000 /nfs/dbraw/zinc/07/60/00/365076000.db2.gz YSXZADOIXJIPJL-LRDDRELGSA-N 1 0 302.353 2.087 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000624464404 365430026 /nfs/dbraw/zinc/43/00/26/365430026.db2.gz YKFMTKDPEHGBSA-HNNXBMFYSA-N 1 0 323.481 2.483 10 30 DEEERO C=CC[C@@H]1[N@@H+](C[C@H](O)CC2(O)CCOCC2)CCCC1(C)C ZINC000630040761 367449352 /nfs/dbraw/zinc/44/93/52/367449352.db2.gz JJJUAXVORLCEMC-CVEARBPZSA-N 1 0 311.466 2.346 10 30 DEEERO N#CCc1ccc(S(=O)(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000092132049 193166619 /nfs/dbraw/zinc/16/66/19/193166619.db2.gz CEVTVQGPYXFPAG-UHFFFAOYSA-N 1 0 301.371 2.012 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(CC[N@@H+](C)Cc2ccccc2)C1=O ZINC000630967676 367941692 /nfs/dbraw/zinc/94/16/92/367941692.db2.gz NGNCQKDYISUIGQ-OAHLLOKOSA-N 1 0 301.390 2.005 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(C[C@H](C)[N@H+](C)Cc2ccccc2)C1=O ZINC000630971397 367943911 /nfs/dbraw/zinc/94/39/11/367943911.db2.gz APJXHZHEOAQORB-HOCLYGCPSA-N 1 0 315.417 2.394 10 30 DEEERO N#Cc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c(Br)c1 ZINC000092203379 193173005 /nfs/dbraw/zinc/17/30/05/193173005.db2.gz FSENQCAVARVWLK-VHSXEESVSA-N 1 0 306.163 2.163 10 30 DEEERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N1CCO[C@H](C#N)C1 ZINC000093930924 193329281 /nfs/dbraw/zinc/32/92/81/193329281.db2.gz TWXPLEMCWYASRT-MISXGVKJSA-N 1 0 324.222 2.062 10 30 DEEERO COc1cccc(N(C)C(=O)c2csc(C#CC[NH3+])c2)c1 ZINC000093976314 193332481 /nfs/dbraw/zinc/33/24/81/193332481.db2.gz BJSUFYYEJIUWIE-UHFFFAOYSA-N 1 0 300.383 2.344 10 30 DEEERO [NH3+]CC#Cc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000093976647 193333158 /nfs/dbraw/zinc/33/31/58/193333158.db2.gz WFEDCGROYLQFFA-NSHDSACASA-N 1 0 316.348 2.473 10 30 DEEERO C#CCNC(=O)CC[NH2+][C@@H](C)c1ccccc1Br ZINC000264844700 204202975 /nfs/dbraw/zinc/20/29/75/204202975.db2.gz HVRVUFGOXUZDPC-NSHDSACASA-N 1 0 309.207 2.239 10 30 DEEERO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)o1 ZINC000023408618 182360222 /nfs/dbraw/zinc/36/02/22/182360222.db2.gz XEMGVAFUHPCIRY-OAHLLOKOSA-N 1 0 300.358 2.331 10 30 DEEERO C#CCSc1nc(=O)n(CC[NH+](CC)CC)c2c1CCCC2 ZINC000038786689 183010561 /nfs/dbraw/zinc/01/05/61/183010561.db2.gz FDIVWOYBNWCWOH-UHFFFAOYSA-N 1 0 319.474 2.189 10 30 DEEERO CCN(CC(F)(F)F)C(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000042797835 183310682 /nfs/dbraw/zinc/31/06/82/183310682.db2.gz DQZPPRJLJIOSIB-UHFFFAOYSA-N 1 0 302.271 2.160 10 30 DEEERO CC(C)(C)[NH+]1CCN(Cc2sccc2C#CCCO)CC1 ZINC000043678484 183378984 /nfs/dbraw/zinc/37/89/84/183378984.db2.gz BDDOHPIEMJAOAY-UHFFFAOYSA-N 1 0 306.475 2.398 10 30 DEEERO CC[NH+]1CCC(N(C)Cc2cc(C#CCCO)cs2)CC1 ZINC000043698759 183382051 /nfs/dbraw/zinc/38/20/51/183382051.db2.gz UCEZTAIMRFVFRQ-UHFFFAOYSA-N 1 0 306.475 2.398 10 30 DEEERO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802741 194132086 /nfs/dbraw/zinc/13/20/86/194132086.db2.gz QMUQYIQELUDSHP-QGZVFWFLSA-N 1 0 307.401 2.449 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875972 194153856 /nfs/dbraw/zinc/15/38/56/194153856.db2.gz ISHSPKNYJGRJGK-UHFFFAOYSA-N 1 0 318.465 2.099 10 30 DEEERO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000285023509 218260683 /nfs/dbraw/zinc/26/06/83/218260683.db2.gz ZGHNTXGQFWJHME-NJAFHUGGSA-N 1 0 318.392 2.449 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)Nc2cc(Cl)ccc2F)nc1 ZINC000061872004 184190354 /nfs/dbraw/zinc/19/03/54/184190354.db2.gz JABSCFOEJMUBBK-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)[C@@H](C)CC#N)c1 ZINC000063096531 184270795 /nfs/dbraw/zinc/27/07/95/184270795.db2.gz GYVYRPSLRSWZOL-STQMWFEESA-N 1 0 309.435 2.280 10 30 DEEERO CC[C@H]1CN(C(=O)c2ccc(C)cc2C#CC[NH3+])CCS1 ZINC000157981250 197232664 /nfs/dbraw/zinc/23/26/64/197232664.db2.gz BEJXODXQMYXDIE-HNNXBMFYSA-N 1 0 302.443 2.273 10 30 DEEERO CC[C@@H]1CN(C(=O)c2cc(C#CC[NH3+])ccc2C)CCS1 ZINC000157978936 197232227 /nfs/dbraw/zinc/23/22/27/197232227.db2.gz NIOSTHBHGBXEPF-OAHLLOKOSA-N 1 0 302.443 2.273 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000245471253 285275641 /nfs/dbraw/zinc/27/56/41/285275641.db2.gz NTWMZFBSWWQVDN-CVEARBPZSA-N 1 0 320.481 2.134 10 30 DEEERO C=C(C)COCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000151479128 196686659 /nfs/dbraw/zinc/68/66/59/196686659.db2.gz CUBSPBVQDJZVKJ-INIZCTEOSA-N 1 0 309.454 2.239 10 30 DEEERO N#Cc1cccc(CNc2nc(NN)[nH+]cc2Br)c1 ZINC000123483776 195587579 /nfs/dbraw/zinc/58/75/79/195587579.db2.gz DPTSIFRHEHKVHA-UHFFFAOYSA-N 1 0 319.166 2.008 10 30 DEEERO C[C@@H]1CCCN(C(=[NH2+])NC[C@@H](O)c2ccc(Cl)s2)C1 ZINC000262524452 533635358 /nfs/dbraw/zinc/63/53/58/533635358.db2.gz KEVITJLUHFKJFJ-NXEZZACHSA-N 1 0 301.843 2.482 10 30 DEEERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191097027 145053170 /nfs/dbraw/zinc/05/31/70/145053170.db2.gz QSEWQCCYIXALMP-BEFAXECRSA-N 1 0 323.444 2.292 10 30 DEEERO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(C#N)cc1F ZINC000358565540 147157467 /nfs/dbraw/zinc/15/74/67/147157467.db2.gz ZXRBLEVYDPYFNY-NSHDSACASA-N 1 0 301.321 2.371 10 30 DEEERO C=CCC[C@H](C[N@@H+]1CCCOCC1)Oc1cccc(C#N)n1 ZINC000072473928 401709872 /nfs/dbraw/zinc/70/98/72/401709872.db2.gz RLALCOLNXWHYEN-MRXNPFEDSA-N 1 0 301.390 2.389 10 30 DEEERO COc1cc(C#N)ccc1OCCN1CCC[N@@H+](C2CC2)CC1 ZINC000077316118 401810042 /nfs/dbraw/zinc/81/00/42/401810042.db2.gz QCFJICVVYDHILY-UHFFFAOYSA-N 1 0 315.417 2.116 10 30 DEEERO COc1ccc(C[NH2+][C@H](C)[C@H](C)CO)cc1OCCCC#N ZINC000077423882 401815525 /nfs/dbraw/zinc/81/55/25/401815525.db2.gz DXTSGPOMRZNJIO-ZIAGYGMSSA-N 1 0 306.406 2.484 10 30 DEEERO Cc1ccc([C@@H](CNC(=O)c2cc(C#N)cn2C)[NH+](C)C)cc1 ZINC000081726145 401898419 /nfs/dbraw/zinc/89/84/19/401898419.db2.gz DGCVNQNUJWBVLA-QGZVFWFLSA-N 1 0 310.401 2.238 10 30 DEEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COC(C)C ZINC000119992798 401973966 /nfs/dbraw/zinc/97/39/66/401973966.db2.gz MHPNSJJZMYBUSB-MRXNPFEDSA-N 1 0 308.378 2.369 10 30 DEEERO N#Cc1cccnc1N1CCN(CCc2ccccc2F)CC1 ZINC000137559002 401984277 /nfs/dbraw/zinc/98/42/77/401984277.db2.gz RUMYEVMRPRIJIR-UHFFFAOYSA-N 1 0 310.376 2.457 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1OC ZINC000092588743 402006768 /nfs/dbraw/zinc/00/67/68/402006768.db2.gz FXJLBRICYFCGHM-HNNXBMFYSA-N 1 0 318.417 2.490 10 30 DEEERO N#CC1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000057872369 402097390 /nfs/dbraw/zinc/09/73/90/402097390.db2.gz OGJVQYJXYTWVQQ-INIZCTEOSA-N 1 0 308.809 2.453 10 30 DEEERO CC(C)[C@H](CNCc1cnc2ccc(C#N)cn12)[NH+]1CCCC1 ZINC000123261802 402118439 /nfs/dbraw/zinc/11/84/39/402118439.db2.gz AXKYJJGZRPRITL-KRWDZBQOSA-N 1 0 311.433 2.416 10 30 DEEERO C[C@@H]1CCN(c2cnc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000125995773 402259435 /nfs/dbraw/zinc/25/94/35/402259435.db2.gz YKOZQAYSZZMGTR-OAHLLOKOSA-N 1 0 307.401 2.449 10 30 DEEERO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108834394 402262456 /nfs/dbraw/zinc/26/24/56/402262456.db2.gz CVXCMYIPBLHOKW-QGZVFWFLSA-N 1 0 315.417 2.439 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000185063292 402321613 /nfs/dbraw/zinc/32/16/13/402321613.db2.gz GENFZQGEXRZAIT-CYBMUJFWSA-N 1 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C#CC[NH+]1CCC(C(=O)N2CCC[C@H](c3nccs3)C2)CC1 ZINC000171640714 402604947 /nfs/dbraw/zinc/60/49/47/402604947.db2.gz RNDKFYFMLLOOFO-HNNXBMFYSA-N 1 0 317.458 2.194 10 30 DEEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000180125241 402608360 /nfs/dbraw/zinc/60/83/60/402608360.db2.gz KUYLTOWNTMYKAL-INIZCTEOSA-N 1 0 320.400 2.376 10 30 DEEERO CCOc1ccnc(N2CC[NH+](CCCC(C)(C)C#N)CC2)n1 ZINC000174850157 402760581 /nfs/dbraw/zinc/76/05/81/402760581.db2.gz YHOAFHDOFWCFKK-UHFFFAOYSA-N 1 0 317.437 2.327 10 30 DEEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000273454630 403006396 /nfs/dbraw/zinc/00/63/96/403006396.db2.gz PLDGWPFWQABITI-JQWIXIFHSA-N 1 0 319.373 2.271 10 30 DEEERO C=C(C)C[NH+]1CCC(Nc2ccc(C(=O)OC)c(OC)n2)CC1 ZINC000274846460 403093611 /nfs/dbraw/zinc/09/36/11/403093611.db2.gz WXJDXNCVPKZYTQ-UHFFFAOYSA-N 1 0 319.405 2.329 10 30 DEEERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3ccc(C#N)[nH]3)C1)CCCC2 ZINC000275761631 403121351 /nfs/dbraw/zinc/12/13/51/403121351.db2.gz VGOTZEKGTGBIRL-CQSZACIVSA-N 1 0 323.400 2.357 10 30 DEEERO C=CCn1c(=O)[nH]nc1S[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282981394 403164173 /nfs/dbraw/zinc/16/41/73/403164173.db2.gz JPRMAVQOZPDMOH-CQSZACIVSA-N 1 0 316.430 2.124 10 30 DEEERO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000283464687 403199569 /nfs/dbraw/zinc/19/95/69/403199569.db2.gz AUINVYOZGODBGO-UHFFFAOYSA-N 1 0 312.421 2.134 10 30 DEEERO C=C(C)CS(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276570870 403187407 /nfs/dbraw/zinc/18/74/07/403187407.db2.gz NAPOMOHCRYHZOR-MRXNPFEDSA-N 1 0 308.447 2.099 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000284351917 403265590 /nfs/dbraw/zinc/26/55/90/403265590.db2.gz SDPYSZACEKABAL-MJGOQNOKSA-N 1 0 315.461 2.446 10 30 DEEERO N#Cc1ccnc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000289063171 403821379 /nfs/dbraw/zinc/82/13/79/403821379.db2.gz CQVJNJWZSQIWLF-UHFFFAOYSA-N 1 0 312.417 2.480 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000295386748 403894716 /nfs/dbraw/zinc/89/47/16/403894716.db2.gz KXLRQENHPUOODG-MRXNPFEDSA-N 1 0 314.385 2.398 10 30 DEEERO C=CCCC[C@H](C)[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411833976 403985400 /nfs/dbraw/zinc/98/54/00/403985400.db2.gz LWNYSPQBLSNQCR-AWEZNQCLSA-N 1 0 300.468 2.231 10 30 DEEERO CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)n1 ZINC000328618135 404115556 /nfs/dbraw/zinc/11/55/56/404115556.db2.gz DJZHXYMLJBETJO-INIZCTEOSA-N 1 0 314.389 2.430 10 30 DEEERO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccnc2)[C@@H]1c1cccnc1 ZINC000328620901 404117638 /nfs/dbraw/zinc/11/76/38/404117638.db2.gz HJVQHMVHOVFXMS-HOCLYGCPSA-N 1 0 311.389 2.496 10 30 DEEERO C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccco2)[C@@H]1c1cccnc1 ZINC000328633603 404120549 /nfs/dbraw/zinc/12/05/49/404120549.db2.gz SQARXZBMGIFNSX-HOCLYGCPSA-N 1 0 314.389 2.371 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@H](CC)c2ccccc2)CC1 ZINC000349766097 404191593 /nfs/dbraw/zinc/19/15/93/404191593.db2.gz AWIHDTNCOHOFBS-KRWDZBQOSA-N 1 0 315.461 2.100 10 30 DEEERO C[N@@H+]1CCO[C@H]2CCN(c3cc(C#N)c4ccccc4n3)C[C@@H]21 ZINC000329000927 404195671 /nfs/dbraw/zinc/19/56/71/404195671.db2.gz VVOKPCOTSYQMGH-IRXDYDNUSA-N 1 0 308.385 2.016 10 30 DEEERO Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@]2(C)CCCO2)CCC[N@@H+]1C ZINC000329168242 404252274 /nfs/dbraw/zinc/25/22/74/404252274.db2.gz IRMALUKWNBMTGC-YSVLISHTSA-N 1 0 320.437 2.329 10 30 DEEERO C=CCCC[C@H](C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349903751 404252740 /nfs/dbraw/zinc/25/27/40/404252740.db2.gz AVAJHPGQOYKQBY-AWEZNQCLSA-N 1 0 301.438 2.467 10 30 DEEERO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)NCC1CCC1 ZINC000329432289 404334958 /nfs/dbraw/zinc/33/49/58/404334958.db2.gz IRYCHZJZBYNXLM-OAHLLOKOSA-N 1 0 307.438 2.077 10 30 DEEERO N#Cc1cc(Br)cnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000296540102 404296280 /nfs/dbraw/zinc/29/62/80/404296280.db2.gz NTDHGWQJLVUWCJ-CYBMUJFWSA-N 1 0 321.222 2.390 10 30 DEEERO C[C@H](NC(=O)N(C)[C@@H]1CCNC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329305633 404296594 /nfs/dbraw/zinc/29/65/94/404296594.db2.gz OXAKQFRLVWLHDK-GZBFAFLISA-N 1 0 322.453 2.214 10 30 DEEERO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000352466723 404390763 /nfs/dbraw/zinc/39/07/63/404390763.db2.gz FAMZSTDVNDWATB-STQMWFEESA-N 1 0 322.371 2.094 10 30 DEEERO C=CCn1c(CC2CC2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000351072351 404510964 /nfs/dbraw/zinc/51/09/64/404510964.db2.gz GUBCDBUEIIKOMQ-ZFWWWQNUSA-N 1 0 301.438 2.090 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnnc(C)c1)C(C)C ZINC000342344753 404523609 /nfs/dbraw/zinc/52/36/09/404523609.db2.gz JBRZYFGZKYWTKF-INIZCTEOSA-N 1 0 302.422 2.213 10 30 DEEERO Cc1nnsc1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000330204841 404586220 /nfs/dbraw/zinc/58/62/20/404586220.db2.gz BZVLUCQLMIYCFS-ZDUSSCGKSA-N 1 0 323.466 2.211 10 30 DEEERO C=C(CC)CSCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000358633813 404770418 /nfs/dbraw/zinc/77/04/18/404770418.db2.gz FEOLCOFFHPLVTH-OAHLLOKOSA-N 1 0 314.495 2.159 10 30 DEEERO C=C(C)Cn1c(COCC)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000359220384 404787206 /nfs/dbraw/zinc/78/72/06/404787206.db2.gz GJPNSBRGMABYRS-CABCVRRESA-N 1 0 319.453 2.064 10 30 DEEERO C=C[C@H](CC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)c1ccccc1 ZINC000416302665 405094586 /nfs/dbraw/zinc/09/45/86/405094586.db2.gz GHGZLLNPWJNNAK-YESZJQIVSA-N 1 0 316.445 2.260 10 30 DEEERO C=CCCCCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000354238094 405117830 /nfs/dbraw/zinc/11/78/30/405117830.db2.gz MXAILWKJXWIGSN-UHFFFAOYSA-N 1 0 318.421 2.278 10 30 DEEERO C=CCC1(C(=O)Nc2cc(C[NH+](C)C)ccn2)CCOCC1 ZINC000424697317 405151944 /nfs/dbraw/zinc/15/19/44/405151944.db2.gz CXRQUXMSHQSULX-UHFFFAOYSA-N 1 0 303.406 2.455 10 30 DEEERO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408347939 405180186 /nfs/dbraw/zinc/18/01/86/405180186.db2.gz COGYVXOFDGKFHV-AHCXZYCDSA-N 1 0 321.465 2.056 10 30 DEEERO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000361663533 405190328 /nfs/dbraw/zinc/19/03/28/405190328.db2.gz UJKXWWSBIURJKY-MRXNPFEDSA-N 1 0 300.402 2.448 10 30 DEEERO C=CCN(CCc1ccco1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418762900 405197674 /nfs/dbraw/zinc/19/76/74/405197674.db2.gz MTBOLJLUTXRVIO-CYBMUJFWSA-N 1 0 313.348 2.017 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000448700447 405438452 /nfs/dbraw/zinc/43/84/52/405438452.db2.gz LRRRAOBXHIODOY-MRXNPFEDSA-N 1 0 322.412 2.291 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)c2ccnc(OC(F)F)c2)CC1 ZINC000448919796 405464205 /nfs/dbraw/zinc/46/42/05/405464205.db2.gz CXAUDAREBXFNGI-UHFFFAOYSA-N 1 0 311.332 2.063 10 30 DEEERO C=CC[C@@]1(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000638810986 405683176 /nfs/dbraw/zinc/68/31/76/405683176.db2.gz XKSQSEMOOAAHQW-RYRKJORJSA-N 1 0 300.402 2.331 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000636523770 405998446 /nfs/dbraw/zinc/99/84/46/405998446.db2.gz UHMGGIRBBHISBX-UHFFFAOYSA-N 1 0 324.513 2.304 10 30 DEEERO C=CCCO[C@H](C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634090312 405999093 /nfs/dbraw/zinc/99/90/93/405999093.db2.gz WXTADKIXBKCSPP-CYBMUJFWSA-N 1 0 306.410 2.070 10 30 DEEERO C=CCCCCCNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000565179938 406070933 /nfs/dbraw/zinc/07/09/33/406070933.db2.gz NVZWWWBRCISSJC-UHFFFAOYSA-N 1 0 324.513 2.448 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000632640443 406209426 /nfs/dbraw/zinc/20/94/26/406209426.db2.gz OXUNWFMZEVQJQZ-OAHLLOKOSA-N 1 0 323.481 2.036 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000637320874 406257774 /nfs/dbraw/zinc/25/77/74/406257774.db2.gz BLIGPADPPUXOEF-UHFFFAOYSA-N 1 0 324.513 2.304 10 30 DEEERO C=C[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635676814 406669860 /nfs/dbraw/zinc/66/98/60/406669860.db2.gz YMIFFSMHTAGGRM-IEZWGBDMSA-N 1 0 314.429 2.216 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000572586744 406696724 /nfs/dbraw/zinc/69/67/24/406696724.db2.gz MIRFMTZFNCJVSV-WQVCFCJDSA-N 1 0 303.406 2.239 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)CC1 ZINC000527730923 406732642 /nfs/dbraw/zinc/73/26/42/406732642.db2.gz RZWSCGIZKSFGRK-YXWQFLTLSA-N 1 0 309.454 2.138 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000575754368 406826575 /nfs/dbraw/zinc/82/65/75/406826575.db2.gz UXAYMQHRCRZLGG-CQSZACIVSA-N 1 0 300.402 2.352 10 30 DEEERO CC(C)OCCN(C)C(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129211656 196029526 /nfs/dbraw/zinc/02/95/26/196029526.db2.gz GQIFBSLDXRDBOU-UHFFFAOYSA-N 1 0 308.809 2.147 10 30 DEEERO C[NH2+][C@@H](C)c1cc(Br)ccc1-n1cnc(C#N)n1 ZINC000129210454 196029752 /nfs/dbraw/zinc/02/97/52/196029752.db2.gz FFEMWBNPRXVAME-QMMMGPOBSA-N 1 0 306.167 2.182 10 30 DEEERO Cc1nsc(SCCOc2ccc(C#CC[NH3+])cc2)n1 ZINC000130983125 196129940 /nfs/dbraw/zinc/12/99/40/196129940.db2.gz XZKLJRFZWOXXTQ-UHFFFAOYSA-N 1 0 305.428 2.328 10 30 DEEERO C=CCCCN(C)S(=O)(=O)c1ccc(OC)c(C[NH2+]C)c1 ZINC000136052708 196517625 /nfs/dbraw/zinc/51/76/25/196517625.db2.gz IWIRBCNTSLJDLK-UHFFFAOYSA-N 1 0 312.435 2.001 10 30 DEEERO N#Cc1ccc(NC(=O)C[C@@H]([NH3+])C2CC2)c(Br)c1 ZINC000137285558 196571166 /nfs/dbraw/zinc/57/11/66/196571166.db2.gz ICMJRPBBHWKBGF-LLVKDONJSA-N 1 0 308.179 2.387 10 30 DEEERO Cc1csc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000195329112 225202832 /nfs/dbraw/zinc/20/28/32/225202832.db2.gz DRAJZEMVNGYSAD-UONOGXRCSA-N 1 0 320.462 2.392 10 30 DEEERO [NH2+]=C(NCc1ccccc1Br)NC[C@@H]1CCCO1 ZINC000195522737 225206556 /nfs/dbraw/zinc/20/65/56/225206556.db2.gz YOEKFDHDMXBPBR-NSHDSACASA-N 1 0 312.211 2.032 10 30 DEEERO [NH2+]=C(NCC(=O)N1CCCc2ccccc21)NC1CCCCC1 ZINC000261999276 225261409 /nfs/dbraw/zinc/26/14/09/225261409.db2.gz PAXZBHHQOPDCMI-UHFFFAOYSA-N 1 0 314.433 2.203 10 30 DEEERO [NH2+]=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)NC1CCCC1 ZINC000262130954 225265669 /nfs/dbraw/zinc/26/56/69/225265669.db2.gz NZYNZLVFBUMDSZ-OLZOCXBDSA-N 1 0 319.409 2.014 10 30 DEEERO [NH2+]=C(NCc1c(F)cccc1N1CCCC1)NC[C@H]1CCCO1 ZINC000262174763 225265879 /nfs/dbraw/zinc/26/58/79/225265879.db2.gz VUVPDPKOMNSBQY-CYBMUJFWSA-N 1 0 320.412 2.009 10 30 DEEERO [NH2+]=C(NCCc1c[nH]c2ccc(Cl)cc12)NC[C@@H]1CCCO1 ZINC000262693445 225281518 /nfs/dbraw/zinc/28/15/18/225281518.db2.gz WOVBOCXOMHCVLL-ZDUSSCGKSA-N 1 0 320.824 2.447 10 30 DEEERO Cc1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc1C#N ZINC000302676316 230346199 /nfs/dbraw/zinc/34/61/99/230346199.db2.gz UMJYAPFIHIZWKC-AWEZNQCLSA-N 1 0 300.406 2.175 10 30 DEEERO C#CCOc1ccc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000377723149 424903341 /nfs/dbraw/zinc/90/33/41/424903341.db2.gz WSLPFMVOGLHWMS-INIZCTEOSA-N 1 0 322.412 2.450 10 30 DEEERO C[NH+](C)Cc1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1 ZINC000531157661 267284304 /nfs/dbraw/zinc/28/43/04/267284304.db2.gz RYRGTNGKTBJBCE-UHFFFAOYSA-N 1 0 307.397 2.479 10 30 DEEERO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000245912759 274345459 /nfs/dbraw/zinc/34/54/59/274345459.db2.gz DRLOBHGOAISJDO-CRAIPNDOSA-N 1 0 318.848 2.344 10 30 DEEERO C[NH+](C)[C@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301363023 276873999 /nfs/dbraw/zinc/87/39/99/276873999.db2.gz OVUOKAQZASZLJA-ZDUSSCGKSA-N 1 0 311.345 2.155 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(C)nnn1CC)C(C)C ZINC000294997234 277849480 /nfs/dbraw/zinc/84/94/80/277849480.db2.gz VIPGMFZBBZMMHK-HNNXBMFYSA-N 1 0 319.453 2.035 10 30 DEEERO Cc1nc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)ccc1C#N ZINC000171752080 281831826 /nfs/dbraw/zinc/83/18/26/281831826.db2.gz QKWXMHJJUTYYJL-MRXNPFEDSA-N 1 0 320.396 2.395 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000514671485 337155790 /nfs/dbraw/zinc/15/57/90/337155790.db2.gz PZPOVZKHRUQUSB-CHWSQXEVSA-N 1 0 320.393 2.418 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000185501392 337248604 /nfs/dbraw/zinc/24/86/04/337248604.db2.gz JASTWQBRVVQNTA-SJORKVTESA-N 1 0 307.482 2.217 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn2c(n1)CCC2)C(C)C ZINC000567355064 341598206 /nfs/dbraw/zinc/59/82/06/341598206.db2.gz RBJVDJIKKUITPN-MRXNPFEDSA-N 1 0 316.449 2.258 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCC[C@H](C(F)(F)F)C2)CCO1 ZINC000262456361 534271622 /nfs/dbraw/zinc/27/16/22/534271622.db2.gz LHFIDSNXJUKNJT-WOPDTQHZSA-N 1 0 307.360 2.391 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000247316463 519693663 /nfs/dbraw/zinc/69/36/63/519693663.db2.gz MGEYGVROALOQHY-IJEWVQPXSA-N 1 0 315.417 2.170 10 30 DEEERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000132466084 519696459 /nfs/dbraw/zinc/69/64/59/519696459.db2.gz INIKKLHXLWFDIN-YOEHRIQHSA-N 1 0 314.433 2.428 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NC[C@@H]1COc2ccccc2O1 ZINC000263228690 534834177 /nfs/dbraw/zinc/83/41/77/534834177.db2.gz HHBKGFPEFTUQQB-GFCCVEGCSA-N 1 0 317.414 2.035 10 30 DEEERO C=CCN(CCOC)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000358690145 526289608 /nfs/dbraw/zinc/28/96/08/526289608.db2.gz NPDCEEMRNNACKP-KRWDZBQOSA-N 1 0 319.449 2.003 10 30 DEEERO C[NH+]=C(NCC1CCC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261841941 526351520 /nfs/dbraw/zinc/35/15/20/526351520.db2.gz WTPJWVMKVFICBH-CYBMUJFWSA-N 1 0 321.856 2.279 10 30 DEEERO C[NH+]=C(NCC1CCCC1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261970594 526352251 /nfs/dbraw/zinc/35/22/51/526352251.db2.gz MOYVNBDIQDHELU-HNNXBMFYSA-N 1 0 302.422 2.300 10 30 DEEERO C[NH+]=C(NC[C@@H](O)c1ccc(Cl)s1)NCC1CCC1 ZINC000262451658 526369458 /nfs/dbraw/zinc/36/94/58/526369458.db2.gz JZVOLLFWDPLTBQ-SNVBAGLBSA-N 1 0 301.843 2.400 10 30 DEEERO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)C1=O ZINC000338215893 526508417 /nfs/dbraw/zinc/50/84/17/526508417.db2.gz ZLQMOLTXUNLHRI-ZOFXXKQRSA-N 1 0 306.450 2.035 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(C)c2SC)CC1 ZINC000331095046 526576747 /nfs/dbraw/zinc/57/67/47/526576747.db2.gz KXVIGAMJDHUMGY-UHFFFAOYSA-N 1 0 308.451 2.487 10 30 DEEERO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261740806 526618542 /nfs/dbraw/zinc/61/85/42/526618542.db2.gz LUAWHDCFWIBIIB-IUODEOHRSA-N 1 0 316.405 2.308 10 30 DEEERO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3Cn3ccnc3)n2c1 ZINC000367440028 526692140 /nfs/dbraw/zinc/69/21/40/526692140.db2.gz ZBWSDIJQMYMGDE-OAHLLOKOSA-N 1 0 306.373 2.067 10 30 DEEERO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CC)CC1 ZINC000358804372 526717076 /nfs/dbraw/zinc/71/70/76/526717076.db2.gz IXPVDZZPNBPOJY-UHFFFAOYSA-N 1 0 312.421 2.058 10 30 DEEERO C#CCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000369309673 526734026 /nfs/dbraw/zinc/73/40/26/526734026.db2.gz ZRBYCSDNDSHAOP-UHFFFAOYSA-N 1 0 309.479 2.061 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000437539557 526774127 /nfs/dbraw/zinc/77/41/27/526774127.db2.gz UIEDHOOAOPASIZ-MYBQVCMBSA-N 1 0 323.481 2.387 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373883317 526775206 /nfs/dbraw/zinc/77/52/06/526775206.db2.gz WOBDRUGYZLSINI-VXLLPVPCSA-N 1 0 321.465 2.284 10 30 DEEERO C=CCOCCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376095449 526777930 /nfs/dbraw/zinc/77/79/30/526777930.db2.gz LNPWDKRKOPOAMG-QGZVFWFLSA-N 1 0 317.433 2.010 10 30 DEEERO C=CCOc1ccc(C[N@@H+](C)[C@H](C)CN2CCOCC2)cc1 ZINC000340747598 526863053 /nfs/dbraw/zinc/86/30/53/526863053.db2.gz WRAOVHPXRKSIJR-MRXNPFEDSA-N 1 0 304.434 2.404 10 30 DEEERO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000373268957 526977479 /nfs/dbraw/zinc/97/74/79/526977479.db2.gz RJAXJKSGYXAXPR-OAHLLOKOSA-N 1 0 309.431 2.399 10 30 DEEERO C=CCC(C)(C)CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418212863 527007497 /nfs/dbraw/zinc/00/74/97/527007497.db2.gz JZSSWOHILVTDBG-UHFFFAOYSA-N 1 0 322.497 2.104 10 30 DEEERO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195377790 527027996 /nfs/dbraw/zinc/02/79/96/527027996.db2.gz DHWPIKJBHOJOPD-QWHCGFSZSA-N 1 0 305.447 2.023 10 30 DEEERO C=CCCCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000448388170 527217196 /nfs/dbraw/zinc/21/71/96/527217196.db2.gz LMTOQKWVEWICQD-UHFFFAOYSA-N 1 0 309.454 2.097 10 30 DEEERO C=CCCCNC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000447957969 527221507 /nfs/dbraw/zinc/22/15/07/527221507.db2.gz COZYPPXRTYMFGT-JKSUJKDBSA-N 1 0 311.470 2.389 10 30 DEEERO C=CC[C@H]1[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)CCCC1(C)C ZINC000338363221 527226387 /nfs/dbraw/zinc/22/63/87/527226387.db2.gz QUAATYKDPIBFCD-LSDHHAIUSA-N 1 0 314.495 2.335 10 30 DEEERO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000358011067 527273735 /nfs/dbraw/zinc/27/37/35/527273735.db2.gz ASHPKUAXBUDCTB-UONOGXRCSA-N 1 0 306.410 2.446 10 30 DEEERO C=CCn1c([C@@H](C)CC)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000337838322 527348137 /nfs/dbraw/zinc/34/81/37/527348137.db2.gz DHIHEBAEZDJVKB-LSDHHAIUSA-N 1 0 321.469 2.135 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000297693281 527435138 /nfs/dbraw/zinc/43/51/38/527435138.db2.gz QQZCWYNYLAKZOU-QZTJIDSGSA-N 1 0 311.429 2.294 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000425570575 527495790 /nfs/dbraw/zinc/49/57/90/527495790.db2.gz HBVKHQLNKMBEHO-BBWFWOEESA-N 1 0 317.433 2.180 10 30 DEEERO CC[N@H+](CCO)CCNc1c(C#N)cnc2c(C)cc(F)cc21 ZINC000302211063 528551997 /nfs/dbraw/zinc/55/19/97/528551997.db2.gz DDPGUGKBMFUILS-UHFFFAOYSA-N 1 0 316.380 2.280 10 30 DEEERO CC(=O)Nc1ccn([C@@H]2CC[N@H+](CC3(O)CCCCC3)C2)n1 ZINC000328627946 528747342 /nfs/dbraw/zinc/74/73/42/528747342.db2.gz NFCJBNCJZKVFEY-CQSZACIVSA-N 1 0 306.410 2.433 10 30 DEEERO CCOCC[N@@H+]1CCN(c2ccc(C)c(C#N)n2)C[C@H]1CC ZINC000302611431 528755999 /nfs/dbraw/zinc/75/59/99/528755999.db2.gz FBDWIMPBADFJQH-OAHLLOKOSA-N 1 0 302.422 2.199 10 30 DEEERO CC[NH+]=C(NCCC(=O)NC(C)(C)C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261815718 528805095 /nfs/dbraw/zinc/80/50/95/528805095.db2.gz TVMNXMMEEIXYCN-GJZGRUSLSA-N 1 0 322.497 2.379 10 30 DEEERO CC[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261962314 528820163 /nfs/dbraw/zinc/82/01/63/528820163.db2.gz KOCAZAMYUNBQQS-BPLDGKMQSA-N 1 0 303.454 2.285 10 30 DEEERO Cc1cccc(NC(=[NH2+])NCC(=O)N2CCc3ccccc32)c1 ZINC000104192294 624782959 /nfs/dbraw/zinc/78/29/59/624782959.db2.gz TXSDKTUPFHRPGD-UHFFFAOYSA-N 1 0 308.385 2.311 10 30 DEEERO C#CCOc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000161775628 625176977 /nfs/dbraw/zinc/17/69/77/625176977.db2.gz JLCITHIPKLHHPO-MRXNPFEDSA-N 1 0 302.418 2.405 10 30 DEEERO C[NH2+]C[C@@H]1CCCCN1c1ncc(Br)cc1C#N ZINC000310896699 625198989 /nfs/dbraw/zinc/19/89/89/625198989.db2.gz LYVNDLJXXFRBTG-LBPRGKRZSA-N 1 0 309.211 2.294 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cc1ccc2c(c1)OCO2 ZINC000121476203 650146906 /nfs/dbraw/zinc/14/69/06/650146906.db2.gz VGYBCFXKKGMRDQ-CQSZACIVSA-N 1 0 317.385 2.235 10 30 DEEERO COc1ccc(NC(=[NH2+])NC[C@@H]2CCC(C)(C)O2)cc1OC ZINC000186888662 636586549 /nfs/dbraw/zinc/58/65/49/636586549.db2.gz CGCRPJIPUZIETI-LBPRGKRZSA-N 1 0 307.394 2.388 10 30 DEEERO COc1ccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1C#N ZINC000747443426 638437842 /nfs/dbraw/zinc/43/78/42/638437842.db2.gz HDPLLEWHXAMSTR-BETUJISGSA-N 1 0 301.390 2.056 10 30 DEEERO [NH2+]=C(NCCCc1c[nH]c2ccccc12)NC[C@@H]1CCCO1 ZINC000170968587 646679825 /nfs/dbraw/zinc/67/98/25/646679825.db2.gz CMRYNIUJOFAFFJ-AWEZNQCLSA-N 1 0 300.406 2.184 10 30 DEEERO COc1ccc(C[NH2+]Cc2ccc(CO)c(F)c2)cc1C#N ZINC000174300692 646802285 /nfs/dbraw/zinc/80/22/85/646802285.db2.gz RINVFOFQIBLRHW-UHFFFAOYSA-N 1 0 300.333 2.488 10 30 DEEERO N#Cc1ccc(OCC[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000174558802 646814197 /nfs/dbraw/zinc/81/41/97/646814197.db2.gz VAFVKBATPZEQTK-UHFFFAOYSA-N 1 0 312.325 2.161 10 30 DEEERO C#CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000120082528 684091702 /nfs/dbraw/zinc/09/17/02/684091702.db2.gz VLCBHLHHDOKKTN-CVEARBPZSA-N 1 0 300.402 2.222 10 30 DEEERO C=CCn1c(=S)n(CN2CC[NH+](C3CC3)CC2)nc1C1CC1 ZINC000129106599 684176445 /nfs/dbraw/zinc/17/64/45/684176445.db2.gz ADEFWARGAUZGKQ-UHFFFAOYSA-N 1 0 319.478 2.215 10 30 DEEERO C#CCCOc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000159616938 684317349 /nfs/dbraw/zinc/31/73/49/684317349.db2.gz OPUZAWNYVXOMDT-GDBMZVCRSA-N 1 0 300.402 2.175 10 30 DEEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000245543865 685114231 /nfs/dbraw/zinc/11/42/31/685114231.db2.gz RMDBXCSFUSUTLD-GZBFAFLISA-N 1 0 301.390 2.063 10 30 DEEERO COCC[N@@H+]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C[C@@H]1C ZINC000245730845 685117316 /nfs/dbraw/zinc/11/73/16/685117316.db2.gz JTNHKCQTUIZDNC-JKSUJKDBSA-N 1 0 317.433 2.130 10 30 DEEERO Cc1cc(C)c(NC(=O)C[N+]23CCN(CC2)CC3)c(Cl)c1 ZINC000029219922 717116812 /nfs/dbraw/zinc/11/68/12/717116812.db2.gz KZVBFOFLWZVKMR-UHFFFAOYSA-O 1 0 308.833 2.041 10 30 DEEERO C[C@](O)(C[NH2+]CCCOC(F)F)C(F)(F)C(F)(F)F ZINC000724046833 777230513 /nfs/dbraw/zinc/23/05/13/777230513.db2.gz GFVJJCANMXBKNN-ZETCQYMHSA-N 1 0 301.202 2.154 10 30 DEEERO C#CC[C@@H](COC)[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000716826710 793008080 /nfs/dbraw/zinc/00/80/80/793008080.db2.gz BWQOYKNDYPADCG-SJORKVTESA-N 1 0 316.401 2.025 10 30 DEEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083402862 185221976 /nfs/dbraw/zinc/22/19/76/185221976.db2.gz JKTZZYDWXUPHJF-KGLIPLIRSA-N 1 0 318.417 2.184 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083402860 185222234 /nfs/dbraw/zinc/22/22/34/185222234.db2.gz JKTZZYDWXUPHJF-KBPBESRZSA-N 1 0 318.417 2.184 10 30 DEEERO COc1ccc(C#CCCO)c(C[N@H+](C)[C@H]2CCSC2)c1 ZINC000087786921 185231669 /nfs/dbraw/zinc/23/16/69/185231669.db2.gz KUPGXWIQSVOFJV-INIZCTEOSA-N 1 0 305.443 2.366 10 30 DEEERO C=CCN(Cc1ccc(Cl)s1)C(=O)COC1(C)C[NH2+]C1 ZINC000098063285 539435847 /nfs/dbraw/zinc/43/58/47/539435847.db2.gz KDWZFOAAXFSTTB-UHFFFAOYSA-N 1 0 314.838 2.295 10 30 DEEERO C=C(C)[C@H](CO)[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625744393 365887467 /nfs/dbraw/zinc/88/74/67/365887467.db2.gz MRDGOEVNFBLCND-MBNYWOFBSA-N 1 0 301.308 2.448 10 30 DEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)N1CCS[C@H](C)[C@H]1C ZINC000133667493 186005303 /nfs/dbraw/zinc/00/53/03/186005303.db2.gz UVNIVIZVSQDQCO-ZIAGYGMSSA-N 1 0 302.443 2.271 10 30 DEEERO C[C@@H](C[C@H]1COCC[NH2+]1)Nc1ccc(C#N)cc1Br ZINC000133682241 186006435 /nfs/dbraw/zinc/00/64/35/186006435.db2.gz NNOIZROBVGWOGR-JQWIXIFHSA-N 1 0 324.222 2.500 10 30 DEEERO C[C@H]1C[NH2+]C[C@@H](COc2ccc(C(F)(F)F)c(C#N)c2)O1 ZINC000133840098 186013789 /nfs/dbraw/zinc/01/37/89/186013789.db2.gz KMLLVDOOVUFTGQ-CABZTGNLSA-N 1 0 300.280 2.333 10 30 DEEERO C=CCC1([NH2+]CC(=O)N2CCOC[C@H]2C2CC2)CCCCC1 ZINC000625935194 365962063 /nfs/dbraw/zinc/96/20/63/365962063.db2.gz QOHQYFNRILXCIJ-INIZCTEOSA-N 1 0 306.450 2.492 10 30 DEEERO CCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171891769 198002560 /nfs/dbraw/zinc/00/25/60/198002560.db2.gz SIGGBROPHSCORO-AWEZNQCLSA-N 1 0 314.389 2.269 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000321030194 539897997 /nfs/dbraw/zinc/89/79/97/539897997.db2.gz QCDPCXXSIJZENZ-VXGBXAGGSA-N 1 0 320.216 2.260 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000321030191 539898236 /nfs/dbraw/zinc/89/82/36/539898236.db2.gz QCDPCXXSIJZENZ-NEPJUHHUSA-N 1 0 320.216 2.260 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C#N)c1 ZINC000173791125 198252228 /nfs/dbraw/zinc/25/22/28/198252228.db2.gz RRVYFCUSIRSTBF-IAGOWNOFSA-N 1 0 312.417 2.326 10 30 DEEERO CCNC(NC[C@@H]1CCN(c2cccc(OC)c2)C1)=[NH+]CC ZINC000066246085 354706373 /nfs/dbraw/zinc/70/63/73/354706373.db2.gz YWYLOUQCPFLXEL-AWEZNQCLSA-N 1 0 304.438 2.097 10 30 DEEERO C=C(C)COc1cccc(NC(=O)CN2CC[NH+](CC)CC2)c1 ZINC000073308102 354953546 /nfs/dbraw/zinc/95/35/46/354953546.db2.gz ZTGGLEBNHHRRIH-UHFFFAOYSA-N 1 0 317.433 2.218 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000078805291 355278671 /nfs/dbraw/zinc/27/86/71/355278671.db2.gz PHRMGRNACWXSOU-CHWSQXEVSA-N 1 0 319.405 2.136 10 30 DEEERO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NCc1ccco1 ZINC000595605357 358498360 /nfs/dbraw/zinc/49/83/60/358498360.db2.gz XCTUNKXMVIEFNW-DZGCQCFKSA-N 1 0 319.405 2.330 10 30 DEEERO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000595603864 358498752 /nfs/dbraw/zinc/49/87/52/358498752.db2.gz PIZPXWRCQZDULZ-WDEREUQCSA-N 1 0 321.343 2.099 10 30 DEEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000163081843 355972240 /nfs/dbraw/zinc/97/22/40/355972240.db2.gz XHRZMZQARLQWHJ-CQSZACIVSA-N 1 0 304.415 2.278 10 30 DEEERO CC[C@@H]1CN(CC#Cc2cccc(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000246382879 356313165 /nfs/dbraw/zinc/31/31/65/356313165.db2.gz IKQYGYWOTUZNQE-MAUKXSAKSA-N 1 0 320.864 2.469 10 30 DEEERO Cc1cc(N2CCO[C@H](C[N@H+](C)CC3CC3)C2)c(C#N)c(C)n1 ZINC000328651957 356466358 /nfs/dbraw/zinc/46/63/58/356466358.db2.gz WFEDVSAZBQEPBT-MRXNPFEDSA-N 1 0 314.433 2.117 10 30 DEEERO C=CCOCCCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000618526937 363517592 /nfs/dbraw/zinc/51/75/92/363517592.db2.gz VLSSLTSRNPLPNK-UHFFFAOYSA-N 1 0 302.418 2.144 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581007433 357116597 /nfs/dbraw/zinc/11/65/97/357116597.db2.gz OMRWREBOIUJZMQ-WFASDCNBSA-N 1 0 319.361 2.104 10 30 DEEERO C=CCOc1ccc(CN2CCOC[C@H]2CC(=O)OC)cc1 ZINC000589210213 357455763 /nfs/dbraw/zinc/45/57/63/357455763.db2.gz YDPSBNFNBXITAS-OAHLLOKOSA-N 1 0 305.374 2.015 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592169855 357845648 /nfs/dbraw/zinc/84/56/48/357845648.db2.gz XBZWBWSXJCYWIR-YJNKXOJESA-N 1 0 312.479 2.074 10 30 DEEERO C[C@@H](COCc1ccccc1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594432867 358268809 /nfs/dbraw/zinc/26/88/09/358268809.db2.gz HHSVXVGUDLHNMK-HOCLYGCPSA-N 1 0 303.406 2.119 10 30 DEEERO C=CC[C@]1(C(=O)N2CC[C@](C(=O)OCC)(C(C)C)C2)CCC[NH2+]1 ZINC000595961268 358586324 /nfs/dbraw/zinc/58/63/24/358586324.db2.gz GMDPMAGSJRLNRE-QZTJIDSGSA-N 1 0 322.449 2.123 10 30 DEEERO C=CC[C@]1(C(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)CCC[NH2+]1 ZINC000595958491 358586469 /nfs/dbraw/zinc/58/64/69/358586469.db2.gz RHUJKFNZNVJTIJ-KBXCAEBGSA-N 1 0 322.449 2.123 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000599526883 359517567 /nfs/dbraw/zinc/51/75/67/359517567.db2.gz VVZKBKWRKJJISF-IAGOWNOFSA-N 1 0 300.402 2.390 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000186713360 199995737 /nfs/dbraw/zinc/99/57/37/199995737.db2.gz RQAYLQOGJQNAOK-BXUZGUMPSA-N 1 0 304.369 2.302 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C#N)c(O)c2)[C@H](C)C1 ZINC000188705741 200290995 /nfs/dbraw/zinc/29/09/95/200290995.db2.gz BJGHDIUJUIBPKU-IUODEOHRSA-N 1 0 301.390 2.066 10 30 DEEERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@@H]1C ZINC000189271061 200373083 /nfs/dbraw/zinc/37/30/83/200373083.db2.gz GKWFUWFJKRESQU-BBRMVZONSA-N 1 0 301.390 2.244 10 30 DEEERO C=C(C)C[C@@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C(=O)OC ZINC000601786972 360149578 /nfs/dbraw/zinc/14/95/78/360149578.db2.gz VPAPMKZKDLPXEM-CQSZACIVSA-N 1 0 322.405 2.359 10 30 DEEERO C=C(C)C[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)C(=O)OC ZINC000602601741 360451784 /nfs/dbraw/zinc/45/17/84/360451784.db2.gz SIHBBNWZFGORLY-GJZGRUSLSA-N 1 0 304.390 2.091 10 30 DEEERO C=CCSCC[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602545959 360426618 /nfs/dbraw/zinc/42/66/18/360426618.db2.gz ULBMVWYQAGRDTJ-UHFFFAOYSA-N 1 0 311.451 2.384 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602612654 360457982 /nfs/dbraw/zinc/45/79/82/360457982.db2.gz JIAROUPZFUWFJS-ZETCQYMHSA-N 1 0 321.196 2.445 10 30 DEEERO C=CCNC(=O)[C@@H](C)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602895195 360615603 /nfs/dbraw/zinc/61/56/03/360615603.db2.gz GFYMVRXHAOVAFD-CQSZACIVSA-N 1 0 312.417 2.125 10 30 DEEERO N#Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000609240614 361292125 /nfs/dbraw/zinc/29/21/25/361292125.db2.gz WQRLPQQNVCDVFW-HOTGVXAUSA-N 1 0 316.380 2.123 10 30 DEEERO C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)C1=CC[N@H+](C)CC1 ZINC000611581487 361639761 /nfs/dbraw/zinc/63/97/61/361639761.db2.gz JYZUKQPHPDGNPA-GFCCVEGCSA-N 1 0 316.380 2.147 10 30 DEEERO COC1CCN(CC[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000611587802 361642358 /nfs/dbraw/zinc/64/23/58/361642358.db2.gz SGOTXJQGYRHCMF-ZDUSSCGKSA-N 1 0 305.397 2.459 10 30 DEEERO Cc1ccc(NC(=[NH2+])Nc2nc3c(c(=O)[nH]2)CCCC3)cc1C ZINC000006694363 181371065 /nfs/dbraw/zinc/37/10/65/181371065.db2.gz IBVHUEHXBVTTQS-UHFFFAOYSA-N 1 0 311.389 2.324 10 30 DEEERO C=CCC[C@H](CCC)[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000624080522 365279707 /nfs/dbraw/zinc/27/97/07/365279707.db2.gz SROLCCBJDMYHFF-WMZOPIPTSA-N 1 0 310.482 2.327 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000624466116 365431529 /nfs/dbraw/zinc/43/15/29/365431529.db2.gz JCLFHOOEVHOVSA-UHFFFAOYSA-N 1 0 323.481 2.343 10 30 DEEERO C=CC[C@@H]1[N@@H+](C[C@@H](O)CC2(O)CCOCC2)CCCC1(C)C ZINC000630040765 367449045 /nfs/dbraw/zinc/44/90/45/367449045.db2.gz JJJUAXVORLCEMC-HOTGVXAUSA-N 1 0 311.466 2.346 10 30 DEEERO C=CC[C@H]1[N@@H+](C[C@H](O)CC2(O)CCOCC2)CCCC1(C)C ZINC000630040767 367450228 /nfs/dbraw/zinc/45/02/28/367450228.db2.gz JJJUAXVORLCEMC-HZPDHXFCSA-N 1 0 311.466 2.346 10 30 DEEERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)n1C ZINC000450638939 242047324 /nfs/dbraw/zinc/04/73/24/242047324.db2.gz UWRFIFQLNHZXPQ-RHSMWYFYSA-N 1 0 322.412 2.147 10 30 DEEERO C=CCN1CC[C@H]([N@H+](C)CCCC(=O)c2ccccc2)C1=O ZINC000450901145 242370128 /nfs/dbraw/zinc/37/01/28/242370128.db2.gz HHIVNFXYUDHTIZ-INIZCTEOSA-N 1 0 300.402 2.368 10 30 DEEERO C#CCOc1ccc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)cc1 ZINC000092096464 193156158 /nfs/dbraw/zinc/15/61/58/193156158.db2.gz QDLVHRSHHNRXCC-GUDVDZBRSA-N 1 0 315.413 2.467 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(C[C@H]2CC[N@@H+]2C2CCCCC2)C1=O ZINC000630986005 367951645 /nfs/dbraw/zinc/95/16/45/367951645.db2.gz MFLSEMRBSSPIRF-CABCVRRESA-N 1 0 305.422 2.280 10 30 DEEERO C=CCN1C(=[NH2+])NC[C@@H]1c1cc(Cl)c2c(c1)OCCCO2 ZINC000093375304 193241046 /nfs/dbraw/zinc/24/10/46/193241046.db2.gz SIJVGINEYSALRJ-GFCCVEGCSA-N 1 0 307.781 2.359 10 30 DEEERO [NH3+]CC#Cc1cc(C(=O)NCCc2ccccc2F)cs1 ZINC000093975638 193333387 /nfs/dbraw/zinc/33/33/87/193333387.db2.gz KCTKNNXNGIFDTI-UHFFFAOYSA-N 1 0 302.374 2.170 10 30 DEEERO CCO[C@H]1CCCN(C(=O)c2cc(C)c(C#CC[NH3+])s2)C1 ZINC000094536525 193378421 /nfs/dbraw/zinc/37/84/21/193378421.db2.gz SRFXLPNOYPENPL-ZDUSSCGKSA-N 1 0 306.431 2.008 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](COC)CC2)CC1 ZINC000458312982 248259606 /nfs/dbraw/zinc/25/96/06/248259606.db2.gz BWOPVOPEFKEJGN-MRXNPFEDSA-N 1 0 323.481 2.485 10 30 DEEERO C[C@H](C[N@H+](C)Cc1ccc(F)c(Br)c1)/C(N)=N/O ZINC000042458051 183272750 /nfs/dbraw/zinc/27/27/50/183272750.db2.gz SLPYNAKNSGXYMK-MRVPVSSYSA-N 1 0 318.190 2.403 10 30 DEEERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CC#N)CC#N ZINC000043020143 183328514 /nfs/dbraw/zinc/32/85/14/183328514.db2.gz DHQZRQAHXFHURG-GWCFXTLKSA-N 1 0 307.195 2.187 10 30 DEEERO C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N(CC#N)CC#N ZINC000043284875 183350912 /nfs/dbraw/zinc/35/09/12/183350912.db2.gz ORWXDNOZFZZNAZ-KCJUWKMLSA-N 1 0 313.224 2.248 10 30 DEEERO CC[C@H]([NH3+])[C@@H](N(CCC#N)Cc1cccnc1)C(F)(F)F ZINC000043376734 183357179 /nfs/dbraw/zinc/35/71/79/183357179.db2.gz RJDLZJUUXPRAQF-QWHCGFSZSA-N 1 0 300.328 2.465 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NCCc2ccsc2)cc1F ZINC000043583096 183373089 /nfs/dbraw/zinc/37/30/89/183373089.db2.gz XPVISKZBTDXPJT-UHFFFAOYSA-N 1 0 302.374 2.170 10 30 DEEERO CC[NH+]1CCC(N(C)Cc2sccc2C#CCCO)CC1 ZINC000043682064 183380488 /nfs/dbraw/zinc/38/04/88/183380488.db2.gz DJKAOZFCEFCGDT-UHFFFAOYSA-N 1 0 306.475 2.398 10 30 DEEERO C[C@H](NC(=O)c1cc(C#N)ccn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000288581190 220257677 /nfs/dbraw/zinc/25/76/77/220257677.db2.gz NZWNPDUQTGTHBX-DZGCQCFKSA-N 1 0 312.417 2.336 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105901084 194165355 /nfs/dbraw/zinc/16/53/55/194165355.db2.gz VSNMGECVSBKPFR-DLBZAZTESA-N 1 0 316.449 2.418 10 30 DEEERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1cnc(C#N)n1 ZINC000061841901 184189790 /nfs/dbraw/zinc/18/97/90/184189790.db2.gz QZASMBBUSQSHBA-WCQYABFASA-N 1 0 320.194 2.239 10 30 DEEERO COCC[NH2+]Cc1ccc(O[C@@H](C)C#N)c(Br)c1 ZINC000062728474 184250835 /nfs/dbraw/zinc/25/08/35/184250835.db2.gz PERWVVVTXWXUIC-JTQLQIEISA-N 1 0 313.195 2.476 10 30 DEEERO C[C@H]([NH3+])[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000063195475 184278010 /nfs/dbraw/zinc/27/80/10/184278010.db2.gz PUSGLKJIDOJHRB-AAEUAGOBSA-N 1 0 306.435 2.150 10 30 DEEERO COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CC23CCOCC3)c1 ZINC000262795930 532965430 /nfs/dbraw/zinc/96/54/30/532965430.db2.gz LRHAXQAVOPWKCT-GFCCVEGCSA-N 1 0 319.405 2.247 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000120026786 195083052 /nfs/dbraw/zinc/08/30/52/195083052.db2.gz YNTAAKWCOOXADM-AWEZNQCLSA-N 1 0 305.397 2.240 10 30 DEEERO C=CC[NH+]1CCC(Nc2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000270052890 208109861 /nfs/dbraw/zinc/10/98/61/208109861.db2.gz IIKCUNVUXGSARW-UHFFFAOYSA-N 1 0 324.428 2.354 10 30 DEEERO CC(C)[N@H+]1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC000158937595 197312648 /nfs/dbraw/zinc/31/26/48/197312648.db2.gz FRFDKXIJPBOXOX-HZMBPMFUSA-N 1 0 307.344 2.295 10 30 DEEERO CC[C@@H]1CN(C(=O)c2ccc(C#CC[NH3+])c(C)c2)CCS1 ZINC000157979236 197231740 /nfs/dbraw/zinc/23/17/40/197231740.db2.gz TYMGRNFSYJTEAJ-MRXNPFEDSA-N 1 0 302.443 2.273 10 30 DEEERO CN(Cc1cccc(C#CC[NH3+])c1)C(=O)[C@@H]1CCCCS1 ZINC000156280149 197101463 /nfs/dbraw/zinc/10/14/63/197101463.db2.gz VNEIDEXSTFEKLC-INIZCTEOSA-N 1 0 302.443 2.241 10 30 DEEERO C#CCOc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000155558974 197066526 /nfs/dbraw/zinc/06/65/26/197066526.db2.gz ZJTMDCZATBMJDT-PBHICJAKSA-N 1 0 300.402 2.157 10 30 DEEERO C[C@@H](CCNC(=O)N1CCc2cncnc2C1)[NH+]1CCCCC1 ZINC000329723585 533499620 /nfs/dbraw/zinc/49/96/20/533499620.db2.gz CVBKPDXATYBOFW-AWEZNQCLSA-N 1 0 317.437 2.013 10 30 DEEERO Cn1ccnc1[C@@H]1CCCN(C(=O)c2sccc2C#N)C1 ZINC000373070905 133376845 /nfs/dbraw/zinc/37/68/45/133376845.db2.gz PVWHIXHGTFLANT-GFCCVEGCSA-N 1 0 300.387 2.373 10 30 DEEERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1C ZINC000251617861 145194755 /nfs/dbraw/zinc/19/47/55/145194755.db2.gz GKWFUWFJKRESQU-CZUORRHYSA-N 1 0 301.390 2.244 10 30 DEEERO Cc1oc(NC(=O)[C@H](C)N2CCC([NH+](C)C)CC2)c(C#N)c1C ZINC000127845383 401752227 /nfs/dbraw/zinc/75/22/27/401752227.db2.gz BQBMFBVSAZXJDA-LBPRGKRZSA-N 1 0 318.421 2.121 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115443358 401828406 /nfs/dbraw/zinc/82/84/06/401828406.db2.gz PVTYBLXAESPGGX-CABCVRRESA-N 1 0 315.417 2.126 10 30 DEEERO C=CC[NH+](Cc1ccc(C(N)=O)cc1)Cc1ccc(C(N)=O)cc1 ZINC000028973907 401853597 /nfs/dbraw/zinc/85/35/97/401853597.db2.gz AXDPRFDUVFGUBG-UHFFFAOYSA-N 1 0 323.396 2.073 10 30 DEEERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)CO)cc1OCCCC#N ZINC000077423887 401815332 /nfs/dbraw/zinc/81/53/32/401815332.db2.gz DXTSGPOMRZNJIO-KGLIPLIRSA-N 1 0 306.406 2.484 10 30 DEEERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1C ZINC000118017232 401889209 /nfs/dbraw/zinc/88/92/09/401889209.db2.gz KZFUJIGPLLAUEK-OAHLLOKOSA-N 1 0 316.405 2.099 10 30 DEEERO C[C@@H]1C[C@H](N(C)C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1C ZINC000089815119 401965995 /nfs/dbraw/zinc/96/59/95/401965995.db2.gz BKYIVCJIKQWSKE-GDBMZVCRSA-N 1 0 315.417 2.073 10 30 DEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000120221993 401982989 /nfs/dbraw/zinc/98/29/89/401982989.db2.gz RESAVWDUYZPPHT-HOCLYGCPSA-N 1 0 317.433 2.418 10 30 DEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000121075690 402013589 /nfs/dbraw/zinc/01/35/89/402013589.db2.gz LHJVZXJPOZIMIH-CABCVRRESA-N 1 0 310.438 2.075 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000093663857 402018503 /nfs/dbraw/zinc/01/85/03/402018503.db2.gz URINLPWFJIUYHC-SFHVURJKSA-N 1 0 316.445 2.406 10 30 DEEERO CO[C@](C)(CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000329635357 286140773 /nfs/dbraw/zinc/14/07/73/286140773.db2.gz ULPSIIXRKUYDLW-UCMJJCQDSA-N 1 0 309.454 2.320 10 30 DEEERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000092097806 402001154 /nfs/dbraw/zinc/00/11/54/402001154.db2.gz SGZLKQXBFQHHRC-INIZCTEOSA-N 1 0 301.390 2.080 10 30 DEEERO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000124064427 402161698 /nfs/dbraw/zinc/16/16/98/402161698.db2.gz DVIOKMGBWGALTJ-UHFFFAOYSA-N 1 0 315.826 2.007 10 30 DEEERO Cn1cc(N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)cn1 ZINC000176976054 402355969 /nfs/dbraw/zinc/35/59/69/402355969.db2.gz QPJNHOPTKTXBCM-LBPRGKRZSA-N 1 0 301.419 2.112 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000185154663 402328925 /nfs/dbraw/zinc/32/89/25/402328925.db2.gz JYVQGZUCWBPJMM-OAHLLOKOSA-N 1 0 316.449 2.052 10 30 DEEERO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186015978 402396433 /nfs/dbraw/zinc/39/64/33/402396433.db2.gz LERJNXYNEYGIJL-IOASZLSFSA-N 1 0 310.405 2.280 10 30 DEEERO COc1ccc2c(c1)CCC[C@H]2CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000164309608 402461283 /nfs/dbraw/zinc/46/12/83/402461283.db2.gz ZBWULGQPAUSHFC-HOCLYGCPSA-N 1 0 317.433 2.198 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187899444 402512638 /nfs/dbraw/zinc/51/26/38/402512638.db2.gz RGQRZMUJNNWVAU-KSSFIOAISA-N 1 0 318.417 2.429 10 30 DEEERO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000246057853 402505777 /nfs/dbraw/zinc/50/57/77/402505777.db2.gz QXOADBLEAQMWOT-FUHWJXTLSA-N 1 0 322.412 2.421 10 30 DEEERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cccc(C#N)c3)CC[C@H]21 ZINC000246789064 402545318 /nfs/dbraw/zinc/54/53/18/402545318.db2.gz IRESMESEKCYJDY-IAGOWNOFSA-N 1 0 312.417 2.184 10 30 DEEERO CNC(=O)[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(C)C ZINC000178951986 402558879 /nfs/dbraw/zinc/55/88/79/402558879.db2.gz IPEKPPHDIZKRIT-MRXNPFEDSA-N 1 0 303.406 2.229 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187994125 402514836 /nfs/dbraw/zinc/51/48/36/402514836.db2.gz GSAYOWNMZPXAJS-CQSZACIVSA-N 1 0 315.417 2.268 10 30 DEEERO C[C@H](O)C[N@@H+]1CCN(CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000246508156 402534377 /nfs/dbraw/zinc/53/43/77/402534377.db2.gz ZRHUPAAXDWVANL-CABCVRRESA-N 1 0 306.837 2.078 10 30 DEEERO N#CC1(c2ccc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000180145645 402608166 /nfs/dbraw/zinc/60/81/66/402608166.db2.gz MARPRBHDMGRMAC-CQSZACIVSA-N 1 0 309.413 2.456 10 30 DEEERO N#CC1(c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000180145627 402608524 /nfs/dbraw/zinc/60/85/24/402608524.db2.gz MARPRBHDMGRMAC-AWEZNQCLSA-N 1 0 309.413 2.456 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000249513739 402632345 /nfs/dbraw/zinc/63/23/45/402632345.db2.gz XYOCTBOOQDCYPN-GJZGRUSLSA-N 1 0 315.417 2.316 10 30 DEEERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC[C@@H]1C ZINC000252039952 402653004 /nfs/dbraw/zinc/65/30/04/402653004.db2.gz ZHXQHWRHHVLJIY-SOUVJXGZSA-N 1 0 307.438 2.074 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)Nc2nc(COC)cs2)CC1 ZINC000174405542 402739556 /nfs/dbraw/zinc/73/95/56/402739556.db2.gz AIRXGZPTKMQROX-UHFFFAOYSA-N 1 0 324.450 2.452 10 30 DEEERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(C#N)cc1 ZINC000194869739 402820032 /nfs/dbraw/zinc/82/00/32/402820032.db2.gz OGOGWWCMSADOAZ-LJQANCHMSA-N 1 0 321.424 2.390 10 30 DEEERO COc1ccc(C#N)cc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000271345943 402860316 /nfs/dbraw/zinc/86/03/16/402860316.db2.gz GUOYMWOSYDEYFV-GXTWGEPZSA-N 1 0 314.389 2.267 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000273454634 403006235 /nfs/dbraw/zinc/00/62/35/403006235.db2.gz PLDGWPFWQABITI-ZYHUDNBSSA-N 1 0 319.373 2.271 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282048651 403117228 /nfs/dbraw/zinc/11/72/28/403117228.db2.gz LYYCJGUAEMTIFZ-GJZGRUSLSA-N 1 0 316.449 2.090 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000269900520 403174507 /nfs/dbraw/zinc/17/45/07/403174507.db2.gz SVFYRIUBFKGCPW-CYBMUJFWSA-N 1 0 303.366 2.394 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000277405270 403214194 /nfs/dbraw/zinc/21/41/94/403214194.db2.gz LGRJYXPSKCDIKI-QGZVFWFLSA-N 1 0 300.377 2.207 10 30 DEEERO C#CCCOc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000284218652 403254782 /nfs/dbraw/zinc/25/47/82/403254782.db2.gz ZYJLYRZZUFXZRK-SJLPKXTDSA-N 1 0 319.445 2.336 10 30 DEEERO C=CCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000286557028 403534349 /nfs/dbraw/zinc/53/43/49/403534349.db2.gz AWHMZCTYCBQIJS-HNNXBMFYSA-N 1 0 303.406 2.145 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000287012510 403552387 /nfs/dbraw/zinc/55/23/87/403552387.db2.gz HUNXKQUMCUSLMO-QGZVFWFLSA-N 1 0 313.445 2.405 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000343212455 403496945 /nfs/dbraw/zinc/49/69/45/403496945.db2.gz OGYJWZFUEOZUCT-HNNXBMFYSA-N 1 0 323.481 2.038 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000362026946 403919910 /nfs/dbraw/zinc/91/99/10/403919910.db2.gz NRYMEHCEGFNOOA-JKSUJKDBSA-N 1 0 315.417 2.314 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@@H](CC)c1c(C)nn(C)c1C ZINC000348015390 404005603 /nfs/dbraw/zinc/00/56/03/404005603.db2.gz MHSNRZWECOSPDC-HNNXBMFYSA-N 1 0 304.438 2.278 10 30 DEEERO C=CCn1c(-c2ccccn2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000290389262 404150210 /nfs/dbraw/zinc/15/02/10/404150210.db2.gz NKPDCMRHLPPZRZ-UHFFFAOYSA-N 1 0 312.421 2.058 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000328988558 404192082 /nfs/dbraw/zinc/19/20/82/404192082.db2.gz FBNFYZRECXHMQL-MGPQQGTHSA-N 1 0 310.442 2.124 10 30 DEEERO C=CCOc1cccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1 ZINC000344514312 404195648 /nfs/dbraw/zinc/19/56/48/404195648.db2.gz MKLKGGHAFQMQER-UNEWFSDZSA-N 1 0 300.402 2.350 10 30 DEEERO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329709316 404428314 /nfs/dbraw/zinc/42/83/14/404428314.db2.gz LNRYDUMJVGUSTO-QCEMKRCNSA-N 1 0 308.422 2.011 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000342192654 404432602 /nfs/dbraw/zinc/43/26/02/404432602.db2.gz BFDFRYCQWHUSKA-OAHLLOKOSA-N 1 0 309.431 2.166 10 30 DEEERO C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC000329739914 404437105 /nfs/dbraw/zinc/43/71/05/404437105.db2.gz VCCJVUCJRYXXTB-JONQDZQNSA-N 1 0 321.465 2.464 10 30 DEEERO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000330225844 404593174 /nfs/dbraw/zinc/59/31/74/404593174.db2.gz UCYQNNWVQXAHAR-GDBMZVCRSA-N 1 0 320.437 2.330 10 30 DEEERO C=C(C)COc1cc(C[NH2+]C2(C(=O)N(C)C)CC2)ccc1OC ZINC000414480351 404648316 /nfs/dbraw/zinc/64/83/16/404648316.db2.gz CSGKAMYPBRQOOK-UHFFFAOYSA-N 1 0 318.417 2.361 10 30 DEEERO C=C[C@](C)(CC)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000358269676 404758100 /nfs/dbraw/zinc/75/81/00/404758100.db2.gz BZSLHWQXHRARDV-QGZVFWFLSA-N 1 0 303.406 2.341 10 30 DEEERO CSC1(CNC(=O)N2CCC(C)(C#N)CC2)CC[NH+](C)CC1 ZINC000358287649 404758995 /nfs/dbraw/zinc/75/89/95/404758995.db2.gz MAFGLFRVSQYZTI-UHFFFAOYSA-N 1 0 324.494 2.149 10 30 DEEERO C=C(C)Cn1c(C2CC2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000359109411 404783934 /nfs/dbraw/zinc/78/39/34/404783934.db2.gz OMEWMQNTSDTPAH-DZGCQCFKSA-N 1 0 301.438 2.405 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415564889 404885820 /nfs/dbraw/zinc/88/58/20/404885820.db2.gz ZZUJVPHMDPXTKR-CYBMUJFWSA-N 1 0 317.433 2.331 10 30 DEEERO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415874745 404959245 /nfs/dbraw/zinc/95/92/45/404959245.db2.gz XMAYZCAXYKXCAO-OAHLLOKOSA-N 1 0 315.417 2.002 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000424297432 405061862 /nfs/dbraw/zinc/06/18/62/405061862.db2.gz QRMLZFIEYQQXNB-VYDXJSESSA-N 1 0 323.458 2.338 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418692384 405169168 /nfs/dbraw/zinc/16/91/68/405169168.db2.gz FRTNKAHBSTVYJM-NEPJUHHUSA-N 1 0 306.366 2.028 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000425353127 405278511 /nfs/dbraw/zinc/27/85/11/405278511.db2.gz LGNMUTHPWIBQAZ-KMFMINBZSA-N 1 0 323.458 2.374 10 30 DEEERO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C#N)n1C)CC(C)C ZINC000448970044 405477473 /nfs/dbraw/zinc/47/74/73/405477473.db2.gz KVNPETANPHYPRD-OAHLLOKOSA-N 1 0 304.438 2.383 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCN1CCCO ZINC000449385311 405535524 /nfs/dbraw/zinc/53/55/24/405535524.db2.gz FHNXLDMVPLIVDZ-KRWDZBQOSA-N 1 0 304.434 2.188 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633283521 405548310 /nfs/dbraw/zinc/54/83/10/405548310.db2.gz NQHSNYVAMQVWPP-CVEARBPZSA-N 1 0 321.465 2.380 10 30 DEEERO C=CCOc1ccc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)cc1OC ZINC000449676318 405686177 /nfs/dbraw/zinc/68/61/77/405686177.db2.gz GIPDRKZFZPIJMJ-GDBMZVCRSA-N 1 0 321.417 2.232 10 30 DEEERO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(C#N)n2C)CC1 ZINC000450063820 405725917 /nfs/dbraw/zinc/72/59/17/405725917.db2.gz WKYFURWWLIUZNV-UHFFFAOYSA-N 1 0 316.449 2.385 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000450277642 405813067 /nfs/dbraw/zinc/81/30/67/405813067.db2.gz PPQHJGATPIBVAS-LTIDMASMSA-N 1 0 300.402 2.139 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2ccc(OC)c(COC)c2)CCC[NH2+]1 ZINC000639002317 405815280 /nfs/dbraw/zinc/81/52/80/405815280.db2.gz BWLYZWKQVAQAAR-KRWDZBQOSA-N 1 0 304.390 2.478 10 30 DEEERO C=C(C)[C@@H](CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)OCC ZINC000529910184 405770196 /nfs/dbraw/zinc/77/01/96/405770196.db2.gz AOLSULROPRYCSF-MRXNPFEDSA-N 1 0 324.465 2.071 10 30 DEEERO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530025188 405771567 /nfs/dbraw/zinc/77/15/67/405771567.db2.gz ZYOKBROBIWRNEP-HNNXBMFYSA-N 1 0 315.417 2.393 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000636444923 405961688 /nfs/dbraw/zinc/96/16/88/405961688.db2.gz UXPGVFLZCPXCSC-UHFFFAOYSA-N 1 0 323.481 2.130 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000564828110 406066486 /nfs/dbraw/zinc/06/64/86/406066486.db2.gz GOTOOGZWOUHHQM-UHFFFAOYSA-N 1 0 316.401 2.228 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000564880237 406067386 /nfs/dbraw/zinc/06/73/86/406067386.db2.gz JGNVASUWHCEHGB-FZKCQIBNSA-N 1 0 309.454 2.140 10 30 DEEERO C=CCCCCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000565172963 406071096 /nfs/dbraw/zinc/07/10/96/406071096.db2.gz OHXVXHDALBYUPZ-KRWDZBQOSA-N 1 0 324.513 2.304 10 30 DEEERO C=CCN(CCOC)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000637366172 406278729 /nfs/dbraw/zinc/27/87/29/406278729.db2.gz AJOXGJFONBVPSW-MRXNPFEDSA-N 1 0 309.454 2.237 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000488812992 406351325 /nfs/dbraw/zinc/35/13/25/406351325.db2.gz GGZCHMLJHVWVGE-HIFRSBDPSA-N 1 0 313.392 2.324 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000637621602 406368043 /nfs/dbraw/zinc/36/80/43/406368043.db2.gz RBOPQBFPSIAXRC-UHFFFAOYSA-N 1 0 324.513 2.258 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000637620339 406368200 /nfs/dbraw/zinc/36/82/00/406368200.db2.gz BONQLIJIESXUSC-OAHLLOKOSA-N 1 0 311.470 2.125 10 30 DEEERO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000571283710 406501974 /nfs/dbraw/zinc/50/19/74/406501974.db2.gz YRODSUMIDRFAMR-BFHYXJOUSA-N 1 0 309.431 2.412 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000573477124 406773168 /nfs/dbraw/zinc/77/31/68/406773168.db2.gz DYIILJYIUPGAKM-NOLJZWGESA-N 1 0 311.809 2.260 10 30 DEEERO CCC[C@@H](COC)NC(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129171908 196025815 /nfs/dbraw/zinc/02/58/15/196025815.db2.gz SBQQOLCPZJQUDH-AWEZNQCLSA-N 1 0 308.809 2.195 10 30 DEEERO C[C@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(Br)cc1C#N ZINC000134162098 196366603 /nfs/dbraw/zinc/36/66/03/196366603.db2.gz KEHSIVUUHBAJGC-ZWNOBZJWSA-N 1 0 324.222 2.500 10 30 DEEERO Cc1cccc(NC(=[NH2+])NCC(=O)N2CCc3ccccc3C2)c1 ZINC000262005439 225261489 /nfs/dbraw/zinc/26/14/89/225261489.db2.gz RFUWJYCSZLBUED-UHFFFAOYSA-N 1 0 322.412 2.307 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000333296029 226104129 /nfs/dbraw/zinc/10/41/29/226104129.db2.gz JWDKIYHFJYMUDF-JSGCOSHPSA-N 1 0 314.389 2.372 10 30 DEEERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000333682790 226109465 /nfs/dbraw/zinc/10/94/65/226109465.db2.gz OZDMSYXUMNQXCT-MXASKKJJSA-N 1 0 312.417 2.076 10 30 DEEERO N#CCCn1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)c(-c2ccccc2)n1 ZINC000368800996 227021249 /nfs/dbraw/zinc/02/12/49/227021249.db2.gz UXCPWAFBKDPBII-KRWDZBQOSA-N 1 0 322.412 2.420 10 30 DEEERO Cc1nsc(N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1 ZINC000301955190 230000445 /nfs/dbraw/zinc/00/04/45/230000445.db2.gz LBSXPPQVDSNXII-UHFFFAOYSA-N 1 0 301.419 2.286 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(Br)cc1C#N ZINC000297054769 274374587 /nfs/dbraw/zinc/37/45/87/274374587.db2.gz IOLTZRZQCKAVHL-ZWNOBZJWSA-N 1 0 321.222 2.389 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000435740744 275419310 /nfs/dbraw/zinc/41/93/10/275419310.db2.gz LOJADIKJUXIQBV-ZBFHGGJFSA-N 1 0 300.406 2.417 10 30 DEEERO C=CCC1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCOCC1 ZINC000424661620 276882573 /nfs/dbraw/zinc/88/25/73/276882573.db2.gz KPVFWRVRGKJQIJ-MRXNPFEDSA-N 1 0 306.450 2.446 10 30 DEEERO C[N@@H+]1CCO[C@H]2CN(c3ccc(C(F)(F)F)cc3C#N)C[C@H]21 ZINC000301686331 277131472 /nfs/dbraw/zinc/13/14/72/277131472.db2.gz XBJVDAJIPZSIIM-KGLIPLIRSA-N 1 0 311.307 2.096 10 30 DEEERO CNC(=O)[C@H](C)C[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177367101 277247630 /nfs/dbraw/zinc/24/76/30/277247630.db2.gz NTYMTTZWPIBKPK-GFCCVEGCSA-N 1 0 312.335 2.371 10 30 DEEERO CC[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N[C@@H]1CCC[C@@H]1C#N ZINC000262386399 278169467 /nfs/dbraw/zinc/16/94/67/278169467.db2.gz LKTKNTYADVSQJX-WBOJAVRRSA-N 1 0 306.454 2.437 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000081571926 281605728 /nfs/dbraw/zinc/60/57/28/281605728.db2.gz CWDJJFPUYJPJFY-MRXNPFEDSA-N 1 0 314.364 2.069 10 30 DEEERO O=C(N[C@H]1CC[C@H](O)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000328665074 303514768 /nfs/dbraw/zinc/51/47/68/303514768.db2.gz BWOAMEBFCOCMAB-JYJNAYRXSA-N 1 0 309.454 2.154 10 30 DEEERO CC(C)C[C@@H](CCO)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000174130702 325738645 /nfs/dbraw/zinc/73/86/45/325738645.db2.gz CLGJMTLIXQOERL-CQSZACIVSA-N 1 0 300.406 2.340 10 30 DEEERO C=CCOC[C@H](O)C[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000584627875 337376158 /nfs/dbraw/zinc/37/61/58/337376158.db2.gz NSMKTMUJSUKMHT-CYBMUJFWSA-N 1 0 319.323 2.237 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N(C)CCC[NH+](C)C ZINC000545946710 341147813 /nfs/dbraw/zinc/14/78/13/341147813.db2.gz UNZAHSTVGIFGHD-UHFFFAOYSA-N 1 0 306.406 2.284 10 30 DEEERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000245915983 341318138 /nfs/dbraw/zinc/31/81/38/341318138.db2.gz FORVGCROAWDNNX-JKSUJKDBSA-N 1 0 300.406 2.425 10 30 DEEERO C[C@@H](CNC(=O)NCC1CCC(C#N)CC1)C[NH+]1CCCC1 ZINC000441002636 533948801 /nfs/dbraw/zinc/94/88/01/533948801.db2.gz LBEFQTOUXVMGPE-FHERZECASA-N 1 0 306.454 2.347 10 30 DEEERO COc1ccc(NC(=[NH2+])NCc2c3c(nn2C)CCCC3)cc1 ZINC000262701967 533991383 /nfs/dbraw/zinc/99/13/83/533991383.db2.gz ZFQSBFODQOVURL-UHFFFAOYSA-N 1 0 313.405 2.234 10 30 DEEERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(C#N)cn1C ZINC000157762930 525012905 /nfs/dbraw/zinc/01/29/05/525012905.db2.gz MUGNOBVPZAQQNO-PBHICJAKSA-N 1 0 322.412 2.147 10 30 DEEERO C=CCOc1ccc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1 ZINC000449747542 534882627 /nfs/dbraw/zinc/88/26/27/534882627.db2.gz XOZFHIUOBVBFRH-INIZCTEOSA-N 1 0 317.433 2.487 10 30 DEEERO C[NH+]=C(NCC1CCC1)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261986537 526351954 /nfs/dbraw/zinc/35/19/54/526351954.db2.gz QFPGOQSVKMMKBI-OAHLLOKOSA-N 1 0 303.454 2.286 10 30 DEEERO C[NH+]=C(NCCc1cc(F)cc2c1OCOC2)NC1CCCC1 ZINC000263239702 526364265 /nfs/dbraw/zinc/36/42/65/526364265.db2.gz KUGAVPXMTQRSEB-UHFFFAOYSA-N 1 0 321.396 2.342 10 30 DEEERO C[NH+]=C(NCCn1ccnc1C)N(C)Cc1ccc(F)cc1 ZINC000262580605 526367721 /nfs/dbraw/zinc/36/77/21/526367721.db2.gz QHRTURFFZHAQDI-UHFFFAOYSA-N 1 0 303.385 2.038 10 30 DEEERO C[NH+]=C(NCc1nccn1CC(F)(F)F)NC1CCCC1 ZINC000263239613 526391339 /nfs/dbraw/zinc/39/13/39/526391339.db2.gz KPBPJWNDZDSTST-UHFFFAOYSA-N 1 0 303.332 2.053 10 30 DEEERO C[NH+]=C(NCc1ccnc(C)n1)N[C@H](C)c1ccccc1OC ZINC000262588597 526415662 /nfs/dbraw/zinc/41/56/62/526415662.db2.gz UAKVEXNWZAKQDG-GFCCVEGCSA-N 1 0 313.405 2.220 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000440991877 526432022 /nfs/dbraw/zinc/43/20/22/526432022.db2.gz YFUDFBIWEPISQE-UHFFFAOYSA-N 1 0 304.438 2.266 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246710197 526543618 /nfs/dbraw/zinc/54/36/18/526543618.db2.gz NSLOGSLONDZAIC-DOTOQJQBSA-N 1 0 317.433 2.348 10 30 DEEERO C=CCNC(=O)C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000340336003 526574795 /nfs/dbraw/zinc/57/47/95/526574795.db2.gz CWZNAZLNDDCXMB-VIFPVBQESA-N 1 0 315.236 2.390 10 30 DEEERO C=C(C)COCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246227109 526637965 /nfs/dbraw/zinc/63/79/65/526637965.db2.gz JFZCAQVZSQQJFD-CVEARBPZSA-N 1 0 309.454 2.236 10 30 DEEERO C=C(C)CS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000253354259 526686792 /nfs/dbraw/zinc/68/67/92/526686792.db2.gz JEGZWUGHKPAMLV-GDBMZVCRSA-N 1 0 308.447 2.002 10 30 DEEERO C=CCOCCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373871181 526778615 /nfs/dbraw/zinc/77/86/15/526778615.db2.gz YLEYTNLKLQYFKD-INIZCTEOSA-N 1 0 309.454 2.285 10 30 DEEERO C=CCOCCNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000378598405 526780900 /nfs/dbraw/zinc/78/09/00/526780900.db2.gz UQEMLFMULMLTDE-WBVHZDCISA-N 1 0 317.433 2.151 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000373878789 526796478 /nfs/dbraw/zinc/79/64/78/526796478.db2.gz RPNHRZVICBUOKM-MKXAEBJUSA-N 1 0 321.465 2.282 10 30 DEEERO C=CCC1(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)CCC1 ZINC000191515755 527040619 /nfs/dbraw/zinc/04/06/19/527040619.db2.gz QRLMHGWZVQHJJT-HNNXBMFYSA-N 1 0 306.450 2.445 10 30 DEEERO C#CCOc1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)cc1 ZINC000371701186 527103606 /nfs/dbraw/zinc/10/36/06/527103606.db2.gz PYTOBQJIVIGGSG-UHFFFAOYSA-N 1 0 307.393 2.318 10 30 DEEERO C#CCOc1ccccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128543647 527125752 /nfs/dbraw/zinc/12/57/52/527125752.db2.gz WACNJFVTRFPKIY-INIZCTEOSA-N 1 0 310.401 2.202 10 30 DEEERO C#CCSCCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000369920025 527138136 /nfs/dbraw/zinc/13/81/36/527138136.db2.gz WVYJZWBEQKUDMB-UHFFFAOYSA-N 1 0 317.458 2.089 10 30 DEEERO C=CCCC[C@@H](C)[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000340873081 527251205 /nfs/dbraw/zinc/25/12/05/527251205.db2.gz DCFYVFAISQFTMH-HUUCEWRRSA-N 1 0 314.437 2.380 10 30 DEEERO CCOC(=O)[C@H]1CCCN(C(NCc2ccc(C)s2)=[NH+]C)C1 ZINC000262022525 528052665 /nfs/dbraw/zinc/05/26/65/528052665.db2.gz ZBYJVNQGMLFDOO-ZDUSSCGKSA-N 1 0 323.462 2.407 10 30 DEEERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)C1 ZINC000328883046 528248510 /nfs/dbraw/zinc/24/85/10/528248510.db2.gz NCAQSOXKCIEZRP-FMKPAKJESA-N 1 0 322.453 2.214 10 30 DEEERO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C#N)n1C)c1ccco1 ZINC000448808113 528278514 /nfs/dbraw/zinc/27/85/14/528278514.db2.gz BVRIBJJXGHXYFU-OAHLLOKOSA-N 1 0 314.389 2.303 10 30 DEEERO CC[NH+]=C(NCC1(C)CC1)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000262413043 528802082 /nfs/dbraw/zinc/80/20/82/528802082.db2.gz PPKZYGPLVBEOHI-CYBMUJFWSA-N 1 0 318.469 2.072 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cc1cn2ccccc2n1 ZINC000121277796 624732940 /nfs/dbraw/zinc/73/29/40/624732940.db2.gz LISOBJVKMFSPAF-OAHLLOKOSA-N 1 0 313.401 2.154 10 30 DEEERO CON=Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000255491608 624840040 /nfs/dbraw/zinc/84/00/40/624840040.db2.gz BTZYSEKRYMAMDN-CQSZACIVSA-N 1 0 303.406 2.271 10 30 DEEERO CC(C)S(=O)(=O)NN=C1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000734365939 633364156 /nfs/dbraw/zinc/36/41/56/633364156.db2.gz YPZCYEUIDPSSHT-AWEZNQCLSA-N 1 0 323.462 2.212 10 30 DEEERO CCOCCCNC(=[NH2+])NCCc1cn(C)c2cc(C)ccc12 ZINC000187144756 637123344 /nfs/dbraw/zinc/12/33/44/637123344.db2.gz RGELRNJRDUIHPY-UHFFFAOYSA-N 1 0 316.449 2.360 10 30 DEEERO C#CCSCCNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000740487763 637862772 /nfs/dbraw/zinc/86/27/72/637862772.db2.gz LXMLMCBSTYVFFC-UHFFFAOYSA-N 1 0 311.495 2.116 10 30 DEEERO C#CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000740739128 637902292 /nfs/dbraw/zinc/90/22/92/637902292.db2.gz VYHMMXUYWIYUOE-UHFFFAOYSA-N 1 0 315.373 2.121 10 30 DEEERO C=CCNC(=O)[C@@H](C)[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000741810315 638017050 /nfs/dbraw/zinc/01/70/50/638017050.db2.gz MJCKPXODLMHZPY-MRXNPFEDSA-N 1 0 316.445 2.278 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000805183225 640086541 /nfs/dbraw/zinc/08/65/41/640086541.db2.gz CJCURSRYFKUGGY-ROUUACIJSA-N 1 0 313.445 2.262 10 30 DEEERO C#CCC(CC#C)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000806352960 645821812 /nfs/dbraw/zinc/82/18/12/645821812.db2.gz ASFPNOLYOYHRBR-UHFFFAOYSA-N 1 0 323.440 2.430 10 30 DEEERO C=CCCC[N@@H+](C)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000182325219 648875147 /nfs/dbraw/zinc/87/51/47/648875147.db2.gz QQPWKABQKOQMAM-INIZCTEOSA-N 1 0 311.447 2.196 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]CCc3cn4ccccc4n3)n2c1 ZINC000123251664 684123588 /nfs/dbraw/zinc/12/35/88/684123588.db2.gz WPAKSKVEGGDOIH-UHFFFAOYSA-N 1 0 316.368 2.186 10 30 DEEERO CCCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCCO2)c(C)c1 ZINC000189696630 684385661 /nfs/dbraw/zinc/38/56/61/684385661.db2.gz ORZFPPCGKITGRG-INIZCTEOSA-N 1 0 305.422 2.367 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000195523115 685101532 /nfs/dbraw/zinc/10/15/32/685101532.db2.gz FNKMPQUGUQBGGW-YESZJQIVSA-N 1 0 317.433 2.238 10 30 DEEERO CC(C)CCC[C@H](C)NC(=[NH2+])NCC(=O)NCc1ccco1 ZINC000303776707 685234367 /nfs/dbraw/zinc/23/43/67/685234367.db2.gz IAMBFCPJPNVINN-ZDUSSCGKSA-N 1 0 308.426 2.015 10 30 DEEERO CC(C)(C)OC(=O)NC1CC(C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000715086073 792382152 /nfs/dbraw/zinc/38/21/52/792382152.db2.gz PUTRUCRRNWBSNM-UHFFFAOYSA-N 1 0 322.434 2.408 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000716826706 793008023 /nfs/dbraw/zinc/00/80/23/793008023.db2.gz BWQOYKNDYPADCG-DLBZAZTESA-N 1 0 316.401 2.025 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000716827168 793009050 /nfs/dbraw/zinc/00/90/50/793009050.db2.gz DSADHDHUWANFKT-RBSFLKMASA-N 1 0 310.438 2.260 10 30 DEEERO C#CC[C@H](COC)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000716841989 793010087 /nfs/dbraw/zinc/01/00/87/793010087.db2.gz YRSXQNPSRYGFKE-ZIAGYGMSSA-N 1 0 312.207 2.110 10 30 DEEERO C=CCNC(=O)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000393849877 1144790104 /nfs/dbraw/zinc/79/01/04/1144790104.db2.gz DWFKKGWJFZZRMV-CQSZACIVSA-N 1 0 323.234 2.198 10 30 DEEERO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H](C)c1cccc(Cl)c1 ZINC000074652047 185006280 /nfs/dbraw/zinc/00/62/80/185006280.db2.gz XJQIPWVTNNNETF-GFCCVEGCSA-N 1 0 324.856 2.433 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000612597257 361869486 /nfs/dbraw/zinc/86/94/86/361869486.db2.gz KEHMNAWBFLVIBL-SNVBAGLBSA-N 1 0 302.277 2.223 10 30 DEEERO N#C[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000612729639 361902585 /nfs/dbraw/zinc/90/25/85/361902585.db2.gz AOOIIXDHTJONCZ-CVEARBPZSA-N 1 0 301.365 2.381 10 30 DEEERO CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(C#N)cc1Br ZINC000087519761 185227505 /nfs/dbraw/zinc/22/75/05/185227505.db2.gz DPOUZDTYQWPYRY-JTQLQIEISA-N 1 0 310.195 2.490 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000087555734 185228292 /nfs/dbraw/zinc/22/82/92/185228292.db2.gz ZTACLENHEBXKKW-UHFFFAOYSA-N 1 0 316.142 2.005 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1c2ccccc2sc1C(=O)OC ZINC000092475507 185320935 /nfs/dbraw/zinc/32/09/35/185320935.db2.gz SXKBYXFDSCZJRH-UHFFFAOYSA-N 1 0 304.371 2.402 10 30 DEEERO C=CC[C@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000614065914 362274530 /nfs/dbraw/zinc/27/45/30/362274530.db2.gz XVPGGPBYUABWPT-HKUYNNGSSA-N 1 0 316.445 2.261 10 30 DEEERO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1cc(C#N)c[nH]1 ZINC000328614266 529954869 /nfs/dbraw/zinc/95/48/69/529954869.db2.gz AELPWUKICKGTEK-RDJZCZTQSA-N 1 0 323.400 2.046 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000625896292 365947119 /nfs/dbraw/zinc/94/71/19/365947119.db2.gz AKGUGJITPPSVLS-OCCSQVGLSA-N 1 0 300.406 2.328 10 30 DEEERO CC[NH+](CC)CCN1C(=O)c2c(cccc2N(C)C)[C@@H]1C#N ZINC000071679321 191005293 /nfs/dbraw/zinc/00/52/93/191005293.db2.gz YNIJOHMVBAPGOT-HNNXBMFYSA-N 1 0 300.406 2.115 10 30 DEEERO Cc1ccc(C(=O)NCc2sccc2C#CC[NH3+])cc1F ZINC000148676371 186045528 /nfs/dbraw/zinc/04/55/28/186045528.db2.gz BZVRIPRLFYUTJM-UHFFFAOYSA-N 1 0 302.374 2.436 10 30 DEEERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000159568354 186127521 /nfs/dbraw/zinc/12/75/21/186127521.db2.gz YAWUMEQJZDCZAA-ZBFHGGJFSA-N 1 0 315.417 2.455 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000174533894 198348483 /nfs/dbraw/zinc/34/84/83/198348483.db2.gz HGZHXYTUEQPCJU-GOEBONIOSA-N 1 0 314.433 2.301 10 30 DEEERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000027768736 354095574 /nfs/dbraw/zinc/09/55/74/354095574.db2.gz BKXKTAPGLVSZRO-CABCVRRESA-N 1 0 315.417 2.316 10 30 DEEERO C=CCCO[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000066320257 354709110 /nfs/dbraw/zinc/70/91/10/354709110.db2.gz PGQCVBNWDCFZTG-WBVHZDCISA-N 1 0 304.434 2.257 10 30 DEEERO C[C@H]1C[C@@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1C ZINC000123965515 291060259 /nfs/dbraw/zinc/06/02/59/291060259.db2.gz MQYVFPZJHKPTSB-HOTGVXAUSA-N 1 0 320.481 2.086 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NC[C@](C)(O)CCC(C)C)CC1 ZINC000077823457 355231718 /nfs/dbraw/zinc/23/17/18/355231718.db2.gz LSQXZTXULVOJKT-QGZVFWFLSA-N 1 0 311.470 2.123 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC(C(=O)OC)CC1 ZINC000595602369 358497557 /nfs/dbraw/zinc/49/75/57/358497557.db2.gz IJPBPKLLADJOGK-ZBFHGGJFSA-N 1 0 322.449 2.123 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@H](C(=O)OC)[C@H](C)CC ZINC000595601342 358497647 /nfs/dbraw/zinc/49/76/47/358497647.db2.gz BEDUNHYSHZGHGI-AIANPOQGSA-N 1 0 324.465 2.415 10 30 DEEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000595603207 358498100 /nfs/dbraw/zinc/49/81/00/358498100.db2.gz KZPLSVLLVLBASW-DZKIICNBSA-N 1 0 310.438 2.025 10 30 DEEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC(=O)OC(C)(C)C ZINC000595603883 358498466 /nfs/dbraw/zinc/49/84/66/358498466.db2.gz QAIJURJYVFUNBF-KBPBESRZSA-N 1 0 310.438 2.169 10 30 DEEERO COc1cccc(F)c1[C@H](C)[NH2+]CCC(=O)N(C)CCC#N ZINC000179934898 356037016 /nfs/dbraw/zinc/03/70/16/356037016.db2.gz ASLDJBPJUJRIIP-LBPRGKRZSA-N 1 0 307.369 2.247 10 30 DEEERO COc1ccc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1F ZINC000182030312 356106165 /nfs/dbraw/zinc/10/61/65/356106165.db2.gz HCNUZYBNSLALBY-GFCCVEGCSA-N 1 0 307.369 2.247 10 30 DEEERO C=C[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000179371740 199023372 /nfs/dbraw/zinc/02/33/72/199023372.db2.gz ODPKNLAAEAYZPD-AEFFLSMTSA-N 1 0 316.445 2.309 10 30 DEEERO Cn1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180123986 199120242 /nfs/dbraw/zinc/12/02/42/199120242.db2.gz KWMSEHCFKCEASK-GOSISDBHSA-N 1 0 321.428 2.239 10 30 DEEERO C=CCCCCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627015600 366404638 /nfs/dbraw/zinc/40/46/38/366404638.db2.gz VYSOSHZVKHEZQV-MRXNPFEDSA-N 1 0 309.454 2.143 10 30 DEEERO C=CCSCCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595264313 358408960 /nfs/dbraw/zinc/40/89/60/358408960.db2.gz UIHAPTALXGNJJE-OAHLLOKOSA-N 1 0 311.495 2.327 10 30 DEEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595922161 358582181 /nfs/dbraw/zinc/58/21/81/358582181.db2.gz YTKIDVOMUZSKAM-CHWSQXEVSA-N 1 0 324.446 2.436 10 30 DEEERO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618849211 363616484 /nfs/dbraw/zinc/61/64/84/363616484.db2.gz NJFVTSZHKMDXKH-MRXNPFEDSA-N 1 0 300.406 2.139 10 30 DEEERO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2cccc(C#N)n2)C1 ZINC000596552183 358711178 /nfs/dbraw/zinc/71/11/78/358711178.db2.gz SOEYGBKXJVQAJE-GOSISDBHSA-N 1 0 321.428 2.181 10 30 DEEERO C=CCN(CC1CCCCC1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627152849 366459212 /nfs/dbraw/zinc/45/92/12/366459212.db2.gz HKTIQYHFQXDVEO-UHFFFAOYSA-N 1 0 309.454 2.272 10 30 DEEERO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207352 366479172 /nfs/dbraw/zinc/47/91/72/366479172.db2.gz ORBFEWZIGQKFPN-ZIAGYGMSSA-N 1 0 321.421 2.000 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000599526710 359516641 /nfs/dbraw/zinc/51/66/41/359516641.db2.gz PWJRVTXOTFXHSA-GDBMZVCRSA-N 1 0 319.401 2.111 10 30 DEEERO C=C(C)C[C@@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C(=O)OC ZINC000601788101 360150515 /nfs/dbraw/zinc/15/05/15/360150515.db2.gz QMLZRQOHVDZSCS-CVEARBPZSA-N 1 0 318.417 2.303 10 30 DEEERO C=CCCSCCNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000602524138 360417916 /nfs/dbraw/zinc/41/79/16/360417916.db2.gz BVGJDSPRMWXQMM-UHFFFAOYSA-N 1 0 304.459 2.300 10 30 DEEERO C[C@H]1C[C@H](NC(=O)c2ccnc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000193513591 201066109 /nfs/dbraw/zinc/06/61/09/201066109.db2.gz XKOTULFZVJADHK-KSSFIOAISA-N 1 0 320.396 2.346 10 30 DEEERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccnc(C#N)c1 ZINC000193826918 201130309 /nfs/dbraw/zinc/13/03/09/201130309.db2.gz YAJCNPIZGYSICH-KSSFIOAISA-N 1 0 320.396 2.204 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000611395767 361590748 /nfs/dbraw/zinc/59/07/48/361590748.db2.gz SUQBFHGAUDFMCC-OAHLLOKOSA-N 1 0 301.390 2.129 10 30 DEEERO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611394737 361591047 /nfs/dbraw/zinc/59/10/47/361591047.db2.gz ZGHKAUXQIQJCGK-DOTOQJQBSA-N 1 0 312.417 2.329 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000623403904 365016630 /nfs/dbraw/zinc/01/66/30/365016630.db2.gz KXYVOQZOIWLIGQ-OWCLPIDISA-N 1 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/nfs/dbraw/zinc/08/44/88/368084488.db2.gz ZTHMQUBHPZAOCE-LBPRGKRZSA-N 1 0 301.333 2.235 10 30 DEEERO CCCN(CC(F)(F)F)C(=O)c1csc(C#CC[NH3+])c1 ZINC000093976216 193332505 /nfs/dbraw/zinc/33/25/05/193332505.db2.gz AAAJLGIULSRSIR-UHFFFAOYSA-N 1 0 304.337 2.473 10 30 DEEERO C[C@H](C(=O)Nc1ccc(Cl)c(C#CC[NH3+])c1)n1cccn1 ZINC000094671746 193391628 /nfs/dbraw/zinc/39/16/28/193391628.db2.gz FFOBZSNXQYFXIP-LLVKDONJSA-N 1 0 302.765 2.046 10 30 DEEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1sccc1C#CCO ZINC000094441015 193369675 /nfs/dbraw/zinc/36/96/75/193369675.db2.gz SKNOLRWXXGIHLK-GOEBONIOSA-N 1 0 304.459 2.151 10 30 DEEERO C=C(C)Cn1c(N2CC[NH+](CC)CC2)nnc1[C@]1(C)CCCO1 ZINC000453470624 245151452 /nfs/dbraw/zinc/15/14/52/245151452.db2.gz QKUCUJIKXGLHMF-KRWDZBQOSA-N 1 0 319.453 2.022 10 30 DEEERO C[N@H+](Cc1ccccc1C#N)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802745 194131537 /nfs/dbraw/zinc/13/15/37/194131537.db2.gz QMUQYIQELUDSHP-KRWDZBQOSA-N 1 0 307.401 2.449 10 30 DEEERO COc1ccc(C[N@@H+]2CCCN(c3cnc(C#N)cn3)CC2)cc1 ZINC000106463532 194218101 /nfs/dbraw/zinc/21/81/01/194218101.db2.gz VLNCAGZSCFUHMC-UHFFFAOYSA-N 1 0 323.400 2.069 10 30 DEEERO COc1ccc([C@@H](C#N)N2CCC[NH2+]CC2)c(Cl)c1OC ZINC000110830011 194362080 /nfs/dbraw/zinc/36/20/80/194362080.db2.gz NOXUCDBKAVHOHN-GFCCVEGCSA-N 1 0 309.797 2.217 10 30 DEEERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)n1cnc(C#N)n1 ZINC000061841948 184189708 /nfs/dbraw/zinc/18/97/08/184189708.db2.gz WOUOFSZCDXHLTM-YPMHNXCESA-N 1 0 320.194 2.239 10 30 DEEERO C=C(Cl)COc1cc(C[NH2+]CCOC)ccc1[N+](=O)[O-] ZINC000062733386 184251230 /nfs/dbraw/zinc/25/12/30/184251230.db2.gz YMFTYZFLHUSPLR-UHFFFAOYSA-N 1 0 300.742 2.462 10 30 DEEERO N#Cc1ccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)o1 ZINC000535786320 284918736 /nfs/dbraw/zinc/91/87/36/284918736.db2.gz AKKMTKIHOMMOFA-UHFFFAOYSA-N 1 0 315.295 2.042 10 30 DEEERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N ZINC000157559803 197197340 /nfs/dbraw/zinc/19/73/40/197197340.db2.gz COUPSYKMNWYNOQ-GXTWGEPZSA-N 1 0 319.453 2.358 10 30 DEEERO Cn1cc(CN2CCC[N@H+](Cc3cc(C#N)cs3)CC2)cn1 ZINC000121595760 195313318 /nfs/dbraw/zinc/31/33/18/195313318.db2.gz PGJCBPUDYSJSDZ-UHFFFAOYSA-N 1 0 315.446 2.061 10 30 DEEERO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000362714350 133247412 /nfs/dbraw/zinc/24/74/12/133247412.db2.gz DRIYGYKYXLILMJ-AFAVFJNCSA-N 1 0 322.380 2.168 10 30 DEEERO N#Cc1ccc(CN2CCC([NH2+]CC3(CCO)CC3)CC2)cc1 ZINC000188064050 145006492 /nfs/dbraw/zinc/00/64/92/145006492.db2.gz RTZUNNZYLLSLJB-UHFFFAOYSA-N 1 0 313.445 2.275 10 30 DEEERO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191097040 145052978 /nfs/dbraw/zinc/05/29/78/145052978.db2.gz QSEWQCCYIXALMP-KXBFYZLASA-N 1 0 323.444 2.292 10 30 DEEERO C=C(C)COCCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000128640429 401786145 /nfs/dbraw/zinc/78/61/45/401786145.db2.gz PIJGDEZNPPKQHD-QGZVFWFLSA-N 1 0 319.449 2.051 10 30 DEEERO C=CCNc1ncc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000130097474 401818261 /nfs/dbraw/zinc/81/82/61/401818261.db2.gz ABTVPZKMXIMINL-RYUDHWBXSA-N 1 0 308.451 2.200 10 30 DEEERO N#CCSCCC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000136125175 401960606 /nfs/dbraw/zinc/96/06/06/401960606.db2.gz KXBLAHWFYUZCDK-ZDUSSCGKSA-N 1 0 305.451 2.439 10 30 DEEERO C=CCNc1ncc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000136167073 401961840 /nfs/dbraw/zinc/96/18/40/401961840.db2.gz SHISVWVCBKTZAL-LBPRGKRZSA-N 1 0 308.451 2.345 10 30 DEEERO C=CCN(C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000122368886 402075283 /nfs/dbraw/zinc/07/52/83/402075283.db2.gz NAPJFVNULWBOJU-UHFFFAOYSA-N 1 0 302.422 2.478 10 30 DEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000068223821 402188001 /nfs/dbraw/zinc/18/80/01/402188001.db2.gz CVWCUPPCDISZTI-GOEBONIOSA-N 1 0 317.433 2.418 10 30 DEEERO COc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1F ZINC000102699525 402170811 /nfs/dbraw/zinc/17/08/11/402170811.db2.gz NTWDPRFMSPANFB-DIFFPNOSSA-N 1 0 319.380 2.293 10 30 DEEERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1F ZINC000070787905 402264698 /nfs/dbraw/zinc/26/46/98/402264698.db2.gz UCTAHEWFCDQNCH-NWDGAFQWSA-N 1 0 307.369 2.245 10 30 DEEERO COc1cc(-c2c(C#N)c(N)nc3c2C[C@@H]([NH3+])CC3)ccc1F ZINC000071415630 286189498 /nfs/dbraw/zinc/18/94/98/286189498.db2.gz BNUJSBMGDXDSGX-JTQLQIEISA-N 1 0 312.348 2.166 10 30 DEEERO COc1cc(-c2c(C#N)c(N)nc3c2C[C@H]([NH3+])CC3)ccc1F ZINC000071415631 286189620 /nfs/dbraw/zinc/18/96/20/286189620.db2.gz BNUJSBMGDXDSGX-SNVBAGLBSA-N 1 0 312.348 2.166 10 30 DEEERO CCN(CCc1nccs1)CC(=O)N[C@](C)(C#N)C(C)C ZINC000159148077 402317774 /nfs/dbraw/zinc/31/77/74/402317774.db2.gz VJZGPXQWGDRJRS-OAHLLOKOSA-N 1 0 308.451 2.062 10 30 DEEERO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)s1 ZINC000176966292 402355218 /nfs/dbraw/zinc/35/52/18/402355218.db2.gz SFXXGNPVHSOYKS-MRXNPFEDSA-N 1 0 313.426 2.409 10 30 DEEERO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000177243287 402385340 /nfs/dbraw/zinc/38/53/40/402385340.db2.gz CKXFKFOHVATOON-YJBOKZPZSA-N 1 0 318.848 2.344 10 30 DEEERO CC[N@@H+]1CC[C@@H](Nc2cnn(-c3ncccc3C#N)c2)[C@H](C)C1 ZINC000186023780 402396898 /nfs/dbraw/zinc/39/68/98/402396898.db2.gz ZYNFGLCFQZDDCX-CZUORRHYSA-N 1 0 310.405 2.281 10 30 DEEERO CCN(C[C@H](C)C#N)C(=O)CN(C)Cc1ccc(Cl)nc1 ZINC000177633542 402422155 /nfs/dbraw/zinc/42/21/55/402422155.db2.gz XMJSFUQMMBDWSC-GFCCVEGCSA-N 1 0 308.813 2.175 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000177694691 402427073 /nfs/dbraw/zinc/42/70/73/402427073.db2.gz RHEMUYZULGVPSQ-CQSZACIVSA-N 1 0 318.421 2.123 10 30 DEEERO C[C@@H](C#N)CNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000187791341 402511581 /nfs/dbraw/zinc/51/15/81/402511581.db2.gz SFSIIPJQUYSZSU-MAUKXSAKSA-N 1 0 314.433 2.500 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cccc(C#N)c1 ZINC000245414049 402457964 /nfs/dbraw/zinc/45/79/64/402457964.db2.gz BZARTZUJCWETQT-IRXDYDNUSA-N 1 0 312.417 2.055 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cccc(C#N)c1 ZINC000245414050 402458125 /nfs/dbraw/zinc/45/81/25/402458125.db2.gz BZARTZUJCWETQT-SJORKVTESA-N 1 0 312.417 2.055 10 30 DEEERO C[C@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2sccc2C#N)C1 ZINC000187983736 402514122 /nfs/dbraw/zinc/51/41/22/402514122.db2.gz IFYVAAGGRVOPHV-LRDDRELGSA-N 1 0 321.446 2.431 10 30 DEEERO CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C[C@H]1CCCCO1 ZINC000246381841 402527939 /nfs/dbraw/zinc/52/79/39/402527939.db2.gz UCAKQSVTYMPVCX-HZPDHXFCSA-N 1 0 309.454 2.276 10 30 DEEERO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864689 402534926 /nfs/dbraw/zinc/53/49/26/402534926.db2.gz DRIRQSPYEBYISC-NVXWUHKLSA-N 1 0 315.417 2.124 10 30 DEEERO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCSC3)C2=O)cc1 ZINC000190614556 402613511 /nfs/dbraw/zinc/61/35/11/402613511.db2.gz QIBZBMHKCLBSAV-HOTGVXAUSA-N 1 0 315.442 2.144 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000171719434 402614538 /nfs/dbraw/zinc/61/45/38/402614538.db2.gz SWFLVDWGRFBLJL-UHFFFAOYSA-N 1 0 309.391 2.345 10 30 DEEERO C[N@@H+]1CC[C@H](NC(=O)NCCCCC#N)[C@@H]1c1ccccc1 ZINC000179149850 402576501 /nfs/dbraw/zinc/57/65/01/402576501.db2.gz AGCBMFXYVVRYJW-HOTGVXAUSA-N 1 0 300.406 2.425 10 30 DEEERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(C#N)cc1 ZINC000181504463 402647021 /nfs/dbraw/zinc/64/70/21/402647021.db2.gz ZHJKDPWLQXOMGL-CYBMUJFWSA-N 1 0 304.357 2.385 10 30 DEEERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCOc1cccc(C#N)c1 ZINC000191208564 402650967 /nfs/dbraw/zinc/65/09/67/402650967.db2.gz SSPZVIHMBDDBQI-OIISXLGYSA-N 1 0 314.385 2.211 10 30 DEEERO C[C@@H](C(=O)NCCOc1ccc(C#N)cc1)[NH+]1CCCCCC1 ZINC000173902743 402717970 /nfs/dbraw/zinc/71/79/70/402717970.db2.gz MDTLHWPOKQJGHQ-HNNXBMFYSA-N 1 0 315.417 2.318 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000173050621 402684037 /nfs/dbraw/zinc/68/40/37/402684037.db2.gz JRJYFUFFSJIWDH-KGLIPLIRSA-N 1 0 317.433 2.418 10 30 DEEERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccnc(C#N)c1 ZINC000192885168 402755053 /nfs/dbraw/zinc/75/50/53/402755053.db2.gz DNAGKANNJGHLOT-MGPQQGTHSA-N 1 0 300.406 2.049 10 30 DEEERO C[NH+](C)[C@H](CNC(=O)c1ccnc(C#N)c1)c1cccc(F)c1 ZINC000195078740 402830447 /nfs/dbraw/zinc/83/04/47/402830447.db2.gz WFALBPZYCQPHNP-MRXNPFEDSA-N 1 0 312.348 2.125 10 30 DEEERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271985838 402887841 /nfs/dbraw/zinc/88/78/41/402887841.db2.gz XVKAILQOBMYSQF-CXAGYDPISA-N 1 0 309.413 2.454 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000273454628 403006288 /nfs/dbraw/zinc/00/62/88/403006288.db2.gz PLDGWPFWQABITI-CMPLNLGQSA-N 1 0 319.373 2.271 10 30 DEEERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cc(C#N)c[nH]3)C1)CCCC2 ZINC000275627020 403110510 /nfs/dbraw/zinc/11/05/10/403110510.db2.gz LZKHVWWOUUIHFB-CQSZACIVSA-N 1 0 323.400 2.357 10 30 DEEERO Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000283446325 403198207 /nfs/dbraw/zinc/19/82/07/403198207.db2.gz IDQWULYIHSHXCO-INIZCTEOSA-N 1 0 322.416 2.028 10 30 DEEERO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC000285071050 403277756 /nfs/dbraw/zinc/27/77/56/403277756.db2.gz KCCADKZLVYMPCO-TZMCWYRMSA-N 1 0 312.335 2.278 10 30 DEEERO C[N@@H+]1CCO[C@@H]2CCN(c3c(C#N)cnc4ccccc43)C[C@@H]21 ZINC000285214878 403279431 /nfs/dbraw/zinc/27/94/31/403279431.db2.gz XHNMZSDUCAAMCJ-DLBZAZTESA-N 1 0 308.385 2.016 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000362238266 403936604 /nfs/dbraw/zinc/93/66/04/403936604.db2.gz VWOHROOXQRHGOW-YJBOKZPZSA-N 1 0 308.466 2.354 10 30 DEEERO CC1CC[NH+](CC(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)CC1 ZINC000328619904 404117848 /nfs/dbraw/zinc/11/78/48/404117848.db2.gz GJSMZQXQNIECLD-DOTOQJQBSA-N 1 0 320.437 2.329 10 30 DEEERO CC(C)C(=O)N[C@@H]1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000328710585 404136319 /nfs/dbraw/zinc/13/63/19/404136319.db2.gz BTJIILGPTHFERD-OAHLLOKOSA-N 1 0 321.465 2.464 10 30 DEEERO C[N@@H+]1CCO[C@@H]2CCN(c3cc(C#N)c4ccccc4n3)C[C@@H]21 ZINC000329000915 404194975 /nfs/dbraw/zinc/19/49/75/404194975.db2.gz VVOKPCOTSYQMGH-DLBZAZTESA-N 1 0 308.385 2.016 10 30 DEEERO C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000352251793 404246514 /nfs/dbraw/zinc/24/65/14/404246514.db2.gz RAECWLUHJCTFTR-OWCLPIDISA-N 1 0 323.481 2.036 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N(C[C@H](C)OC)C(C)C)CC1 ZINC000355177599 404261898 /nfs/dbraw/zinc/26/18/98/404261898.db2.gz WVGHKUDGDNBOPG-HNNXBMFYSA-N 1 0 311.470 2.482 10 30 DEEERO CC(=O)N1CCCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329199833 404261904 /nfs/dbraw/zinc/26/19/04/404261904.db2.gz VYHLOCBQJSHKQM-UYTSQGDYSA-N 1 0 307.438 2.359 10 30 DEEERO C[C@H](NC(=O)[C@@H]1COCCN1CC1CCC1)[C@H]1CCCCO1 ZINC000329408183 404328216 /nfs/dbraw/zinc/32/82/16/404328216.db2.gz ZTTRZYDUDAVHFS-CWRNSKLLSA-N 1 0 310.438 2.401 10 30 DEEERO CCC[C@@]1(CO)CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329597995 404387479 /nfs/dbraw/zinc/38/74/79/404387479.db2.gz JEIJZPCNYSTQOB-YCXXCVGLSA-N 1 0 323.481 2.400 10 30 DEEERO C=CCn1c(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)nnc1C(C)(C)C ZINC000350624126 404425028 /nfs/dbraw/zinc/42/50/28/404425028.db2.gz YWIBBTQRCYZPBO-UONOGXRCSA-N 1 0 303.454 2.435 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H](CCSC)C(=O)NC)cc1 ZINC000342314910 404503472 /nfs/dbraw/zinc/50/34/72/404503472.db2.gz OJKYGIWYZTWKBH-HNNXBMFYSA-N 1 0 308.447 2.209 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000342339260 404519979 /nfs/dbraw/zinc/51/99/79/404519979.db2.gz HTNGEVAWXAGDED-MRXNPFEDSA-N 1 0 304.438 2.298 10 30 DEEERO C=CCn1c(C2CCC2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000350742497 404458868 /nfs/dbraw/zinc/45/88/68/404458868.db2.gz XDIZUOQMJDOQKO-ZFWWWQNUSA-N 1 0 301.438 2.405 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000291641691 404460488 /nfs/dbraw/zinc/46/04/88/404460488.db2.gz BPJMMEZFTWJDDS-WMZOPIPTSA-N 1 0 312.417 2.397 10 30 DEEERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330165648 404570258 /nfs/dbraw/zinc/57/02/58/404570258.db2.gz XDUAMXHWYORHFF-YQYZPQCESA-N 1 0 321.465 2.010 10 30 DEEERO Cc1ccc2ncc(C#N)c(N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1 ZINC000291975444 404608126 /nfs/dbraw/zinc/60/81/26/404608126.db2.gz PIGFSMJUCJFVIU-ROUUACIJSA-N 1 0 322.412 2.324 10 30 DEEERO Cc1oc(C#N)cc1C(=O)N1CCN[C@@H](c2cccc(F)c2)C1 ZINC000367091376 404927528 /nfs/dbraw/zinc/92/75/28/404927528.db2.gz JLMJEYZDEQHYOG-MRXNPFEDSA-N 1 0 313.332 2.386 10 30 DEEERO C=CCN(CCC#N)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415975969 404989924 /nfs/dbraw/zinc/98/99/24/404989924.db2.gz QFHPGAORHLGIFN-UHFFFAOYSA-N 1 0 302.353 2.405 10 30 DEEERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1CCC(C#N)CC1 ZINC000442734497 405336190 /nfs/dbraw/zinc/33/61/90/405336190.db2.gz DMGOPXGDIAMBMF-LMPOIIKSSA-N 1 0 306.454 2.298 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446719095 405390083 /nfs/dbraw/zinc/39/00/83/405390083.db2.gz LVGAEKBYWONMPS-KBXCAEBGSA-N 1 0 315.417 2.050 10 30 DEEERO C=CCC1(C(=O)N2CCN(CC[NH+](C)C)CC2)CCCCC1 ZINC000448600435 405424951 /nfs/dbraw/zinc/42/49/51/405424951.db2.gz GZJBPVOTSQEGHH-UHFFFAOYSA-N 1 0 307.482 2.219 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000633207556 405502612 /nfs/dbraw/zinc/50/26/12/405502612.db2.gz FKDBJXVFJCEPBQ-JKSUJKDBSA-N 1 0 323.481 2.483 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)c1ccnn1C)C(C)C ZINC000421768323 405639176 /nfs/dbraw/zinc/63/91/76/405639176.db2.gz DZVNIYZDYZUSPM-DOTOQJQBSA-N 1 0 318.465 2.338 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000459041115 405709692 /nfs/dbraw/zinc/70/96/92/405709692.db2.gz MABUKLPZNQXELP-FPCVCCKLSA-N 1 0 309.454 2.092 10 30 DEEERO C=CCC1(CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CCCC1 ZINC000459109943 405751651 /nfs/dbraw/zinc/75/16/51/405751651.db2.gz RUQBIYOWRFPSLB-MRXNPFEDSA-N 1 0 323.481 2.269 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529307007 405755112 /nfs/dbraw/zinc/75/51/12/405755112.db2.gz OPTZVSLDAIAPIO-INIZCTEOSA-N 1 0 315.417 2.335 10 30 DEEERO C=CCOc1cccnc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000530305463 405778926 /nfs/dbraw/zinc/77/89/26/405778926.db2.gz VROBPNZXVXDVKT-UHFFFAOYSA-N 1 0 315.417 2.393 10 30 DEEERO C=CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000636168873 405787756 /nfs/dbraw/zinc/78/77/56/405787756.db2.gz DOWDUHUAZOIMJJ-HKUYNNGSSA-N 1 0 314.429 2.217 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](O)[C@@H]1C)C(C)C ZINC000457738389 405977098 /nfs/dbraw/zinc/97/70/98/405977098.db2.gz GDNAFXSPMOQLBL-BBWFWOEESA-N 1 0 323.481 2.240 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CCC[C@H]1O)C(C)C ZINC000457747762 405982929 /nfs/dbraw/zinc/98/29/29/405982929.db2.gz MTCHYGGQJZJPGB-YESZJQIVSA-N 1 0 323.481 2.145 10 30 DEEERO C=CC[C@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000639309507 406036176 /nfs/dbraw/zinc/03/61/76/406036176.db2.gz MBPOQQQASNIWTI-LBPRGKRZSA-N 1 0 312.410 2.261 10 30 DEEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532124547 406047952 /nfs/dbraw/zinc/04/79/52/406047952.db2.gz UQLRPHFDQJKXHY-KGLIPLIRSA-N 1 0 310.438 2.121 10 30 DEEERO C=CCN1CC[C@H]([N@@H+](C)CC/C=C\c2cncc(OC)c2)C1=O ZINC000565477904 406072100 /nfs/dbraw/zinc/07/21/00/406072100.db2.gz UVBIAJVTFXQKLN-WVRJYTFGSA-N 1 0 315.417 2.212 10 30 DEEERO C=CCn1c(CC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000634341663 406107165 /nfs/dbraw/zinc/10/71/65/406107165.db2.gz HJYBSSFOULTQKB-UHFFFAOYSA-N 1 0 303.454 2.481 10 30 DEEERO C[NH+](C)CCOc1cc(NC(=O)Cc2cccc(C#N)c2)ccn1 ZINC000537341827 406288405 /nfs/dbraw/zinc/28/84/05/406288405.db2.gz MLETYIVKDAHDOT-UHFFFAOYSA-N 1 0 324.384 2.075 10 30 DEEERO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000570713402 406430982 /nfs/dbraw/zinc/43/09/82/406430982.db2.gz NYMLZKVSOIPHRO-ILXRZTDVSA-N 1 0 322.449 2.073 10 30 DEEERO N#Cc1csc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000548989110 406570964 /nfs/dbraw/zinc/57/09/64/406570964.db2.gz KILCTYHELNYYEQ-ZFWWWQNUSA-N 1 0 306.431 2.277 10 30 DEEERO C=CC[C@@]1(C(=O)N2CCc3nc(C(C)C)ncc3C2)CCC[NH2+]1 ZINC000527616578 406690956 /nfs/dbraw/zinc/69/09/56/406690956.db2.gz GVJOPJTYHCVECC-SFHVURJKSA-N 1 0 314.433 2.183 10 30 DEEERO CN(C(=O)c1ccc(C#CC[NH3+])c(Cl)c1)[C@@H]1CCSC1 ZINC000129021878 196012278 /nfs/dbraw/zinc/01/22/78/196012278.db2.gz LFJJHYJXPWZQHP-CYBMUJFWSA-N 1 0 308.834 2.228 10 30 DEEERO Cc1cc(C#CC[NH3+])cc(C(=O)NC[C@]2(C)CCCS2)c1 ZINC000131829578 196202747 /nfs/dbraw/zinc/20/27/47/196202747.db2.gz PYQVRWUQRHCJSE-KRWDZBQOSA-N 1 0 302.443 2.321 10 30 DEEERO [NH3+]CC#Cc1ccsc1Cn1c(=O)cccc1C(F)(F)F ZINC000132805556 196285366 /nfs/dbraw/zinc/28/53/66/196285366.db2.gz AUJAZMOBAUDBRF-UHFFFAOYSA-N 1 0 312.316 2.287 10 30 DEEERO C[NH+](C)CC1CCC(NC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000137877672 196581566 /nfs/dbraw/zinc/58/15/66/196581566.db2.gz NPFYOXBOANOSJJ-UHFFFAOYSA-N 1 0 314.433 2.478 10 30 DEEERO Cc1c(CNC(=[NH2+])N2CCO[C@@H](C)C2)oc2ccc(F)cc12 ZINC000262471631 225273919 /nfs/dbraw/zinc/27/39/19/225273919.db2.gz PCVRSDALUKWECC-JTQLQIEISA-N 1 0 305.353 2.416 10 30 DEEERO Cc1nc(CNC(=[NH2+])NC2CCC2)sc1Br ZINC000263045902 225290458 /nfs/dbraw/zinc/29/04/58/225290458.db2.gz CWQBUHUUUGLVLE-UHFFFAOYSA-N 1 0 303.229 2.171 10 30 DEEERO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248565588 225238823 /nfs/dbraw/zinc/23/88/23/225238823.db2.gz NGAZYMVKLDYXOR-KGLIPLIRSA-N 1 0 314.389 2.289 10 30 DEEERO Cc1cc(COCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)on1 ZINC000328759542 225794963 /nfs/dbraw/zinc/79/49/63/225794963.db2.gz WNBGNGXJXQGMHK-AGUYFDCRSA-N 1 0 307.394 2.471 10 30 DEEERO C[C@@]1(CNc2cc(C#N)ncn2)CCC[N@@H+]1Cc1ccccc1 ZINC000397927197 424921328 /nfs/dbraw/zinc/92/13/28/424921328.db2.gz RVSZQXDQTCWNRM-SFHVURJKSA-N 1 0 307.401 2.815 10 30 DEEERO C[NH+](C)Cc1cccc(CNC(=O)Cc2cccc(C#N)c2)c1 ZINC000530910364 267283508 /nfs/dbraw/zinc/28/35/08/267283508.db2.gz ZCMOCDRZDSIYNK-UHFFFAOYSA-N 1 0 307.397 2.479 10 30 DEEERO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000333820075 281282140 /nfs/dbraw/zinc/28/21/40/281282140.db2.gz QYXCDPIMATXMJP-BPUTZDHNSA-N 1 0 318.465 2.488 10 30 DEEERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000328673447 289323436 /nfs/dbraw/zinc/32/34/36/289323436.db2.gz PCKZTNRMYHTBCF-ZNMIVQPWSA-N 1 0 309.454 2.322 10 30 DEEERO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000329403328 290189314 /nfs/dbraw/zinc/18/93/14/290189314.db2.gz YSERKQUDYLNYQK-OFQRWUPVSA-N 1 0 301.390 2.009 10 30 DEEERO O=C(N[C@@H]1CCCC[C@@H]1O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000329220703 295379786 /nfs/dbraw/zinc/37/97/86/295379786.db2.gz UAQAYKDAUQRORG-KFWWJZLASA-N 1 0 312.479 2.464 10 30 DEEERO C#Cc1ccc(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000295594272 335136203 /nfs/dbraw/zinc/13/62/03/335136203.db2.gz WQQBSDAUVBRKSQ-GOSISDBHSA-N 1 0 314.429 2.077 10 30 DEEERO CC#CCCCC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000185690917 337250191 /nfs/dbraw/zinc/25/01/91/337250191.db2.gz UHFOKZNNKXGVTG-UHFFFAOYSA-N 1 0 319.493 2.247 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCc2cc(F)c(Cl)cc2F)CCO1 ZINC000262468549 533788638 /nfs/dbraw/zinc/78/86/38/533788638.db2.gz OELQRRVJTNAAFC-QMMMGPOBSA-N 1 0 303.740 2.154 10 30 DEEERO COc1ccccc1CNC(=[NH2+])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000245962479 534078901 /nfs/dbraw/zinc/07/89/01/534078901.db2.gz CXTQRYCMDBAXEK-CGTJXYLNSA-N 1 0 307.397 2.438 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCC2CCC(C(F)(F)F)CC2)CCO1 ZINC000262436940 534271138 /nfs/dbraw/zinc/27/11/38/534271138.db2.gz GNQDBHWOJQRLHJ-VOMCLLRMSA-N 1 0 307.360 2.391 10 30 DEEERO Cc1nc([C@@H]2CCC[N@H+]2CCC(=O)N(C)CCC#N)cs1 ZINC000189774887 534570297 /nfs/dbraw/zinc/57/02/97/534570297.db2.gz MEYFDCRDNJPSGK-AWEZNQCLSA-N 1 0 306.435 2.351 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH2+]CC1 ZINC000418304567 526348231 /nfs/dbraw/zinc/34/82/31/526348231.db2.gz GNSXQGMLCLWARB-UHFFFAOYSA-N 1 0 318.377 2.044 10 30 DEEERO C[NH+]=C(NC[C@@H]1CC=CCC1)NC[C@@](C)(O)c1ccc(C)o1 ZINC000262369806 526368650 /nfs/dbraw/zinc/36/86/50/526368650.db2.gz JULQUYYVFTXNNA-RHSMWYFYSA-N 1 0 305.422 2.317 10 30 DEEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)N[C@H]1CC1(C)C ZINC000262430917 526376521 /nfs/dbraw/zinc/37/65/21/526376521.db2.gz DXEKGVJOVUSHJK-WPRPVWTQSA-N 1 0 301.843 2.398 10 30 DEEERO C[NH+]=C(NCc1ccsc1)NC[C@@](C)(O)c1ccc(C)o1 ZINC000262373558 526388042 /nfs/dbraw/zinc/38/80/42/526388042.db2.gz KHQSZEYBHDEFGO-OAHLLOKOSA-N 1 0 307.419 2.222 10 30 DEEERO C[NH+]=C(NCc1nccc2ccccc21)N(C)C[C@H]1CCOC1 ZINC000261622005 526390559 /nfs/dbraw/zinc/39/05/59/526390559.db2.gz HZMBHNMBIUVNCY-CQSZACIVSA-N 1 0 312.417 2.279 10 30 DEEERO C[NH+]=C(NCc1nnc(C)n1C)N[C@@H](C)c1ccccc1Cl ZINC000261946018 526392750 /nfs/dbraw/zinc/39/27/50/526392750.db2.gz FXNQLNGKRGINJR-JTQLQIEISA-N 1 0 320.828 2.203 10 30 DEEERO C[NH+]=C(NCc1noc(C)n1)N1CCSC2(CCCCC2)C1 ZINC000261719562 526393176 /nfs/dbraw/zinc/39/31/76/526393176.db2.gz IFNRYLZKCLIZHM-UHFFFAOYSA-N 1 0 323.466 2.205 10 30 DEEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N(C)Cc1ccc[nH]1 ZINC000261869824 526395599 /nfs/dbraw/zinc/39/55/99/526395599.db2.gz ZNPILPNEWCGKDY-ARFHVFGLSA-N 1 0 316.449 2.370 10 30 DEEERO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338394009 526568059 /nfs/dbraw/zinc/56/80/59/526568059.db2.gz XVDLOFBVXKOREY-QGZVFWFLSA-N 1 0 322.474 2.346 10 30 DEEERO C=CCNC(=O)[C@@H](C)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000370006576 526624102 /nfs/dbraw/zinc/62/41/02/526624102.db2.gz CZFNTTZOSMUOQU-DLBZAZTESA-N 1 0 315.461 2.274 10 30 DEEERO C=CCOCC[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000339137180 526769738 /nfs/dbraw/zinc/76/97/38/526769738.db2.gz AABAMQBECLKROC-SJLPKXTDSA-N 1 0 305.418 2.231 10 30 DEEERO C=CCOCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000373338404 526779555 /nfs/dbraw/zinc/77/95/55/526779555.db2.gz DONKXLAJHFPKHE-NVXWUHKLSA-N 1 0 317.433 2.009 10 30 DEEERO C=CCOCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000373338402 526779691 /nfs/dbraw/zinc/77/96/91/526779691.db2.gz DONKXLAJHFPKHE-DOTOQJQBSA-N 1 0 317.433 2.009 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000127271969 526827114 /nfs/dbraw/zinc/82/71/14/526827114.db2.gz WDAVYZBGNKPHNB-CYBMUJFWSA-N 1 0 304.390 2.036 10 30 DEEERO C=CCOc1ccc(C(=O)N2CCC([NH2+]C)CC2)cc1OC ZINC000237094671 526837516 /nfs/dbraw/zinc/83/75/16/526837516.db2.gz KVJWLGFJFIVODQ-UHFFFAOYSA-N 1 0 304.390 2.084 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417603251 526943394 /nfs/dbraw/zinc/94/33/94/526943394.db2.gz XJLGFHSDARMKSJ-UKRRQHHQSA-N 1 0 303.406 2.049 10 30 DEEERO C#CCOc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000368022502 527094628 /nfs/dbraw/zinc/09/46/28/527094628.db2.gz QEKZSKMSBWOLJR-WMZOPIPTSA-N 1 0 312.413 2.303 10 30 DEEERO C=CCCCCC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000193407719 527133788 /nfs/dbraw/zinc/13/37/88/527133788.db2.gz AJJQJNBZJQJSAW-OAHLLOKOSA-N 1 0 300.468 2.233 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000340349600 527175666 /nfs/dbraw/zinc/17/56/66/527175666.db2.gz GSSLHSOYCLCNLX-MRXNPFEDSA-N 1 0 323.481 2.182 10 30 DEEERO C=CCCC[N@@H+](C)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000192032547 527192746 /nfs/dbraw/zinc/19/27/46/527192746.db2.gz FNMOVIJRXVXRIE-UHFFFAOYSA-N 1 0 310.463 2.346 10 30 DEEERO C=CCCCNC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000447957966 527222530 /nfs/dbraw/zinc/22/25/30/527222530.db2.gz COZYPPXRTYMFGT-CVEARBPZSA-N 1 0 311.470 2.389 10 30 DEEERO C=CCn1c(C(C)C)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000337816665 527291141 /nfs/dbraw/zinc/29/11/41/527291141.db2.gz OUFRQMUKPNDXJP-HNNXBMFYSA-N 1 0 321.469 2.135 10 30 DEEERO C=CCn1c(C(C)C)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000337816666 527291459 /nfs/dbraw/zinc/29/14/59/527291459.db2.gz OUFRQMUKPNDXJP-OAHLLOKOSA-N 1 0 321.469 2.135 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195508011 527626454 /nfs/dbraw/zinc/62/64/54/527626454.db2.gz GTXVMMYMTHXZJD-CQSZACIVSA-N 1 0 302.422 2.178 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=[NH2+])Nc2cccc(C)c2)[C@]12CCCO2 ZINC000262342037 527890413 /nfs/dbraw/zinc/89/04/13/527890413.db2.gz CVGXPTVZDCLYDO-ZMSDIMECSA-N 1 0 303.406 2.448 10 30 DEEERO CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=[NH2+])NC1CC1)O[C@H](C)C2 ZINC000263107352 528350073 /nfs/dbraw/zinc/35/00/73/528350073.db2.gz AEWDIUMYOFZNLL-RIEGTJTDSA-N 1 0 315.417 2.331 10 30 DEEERO CCNC(=O)C(C)(C)CNC(=[NH+]CC)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261817449 528802466 /nfs/dbraw/zinc/80/24/66/528802466.db2.gz UCWCGTCYFLNRGQ-GJZGRUSLSA-N 1 0 322.497 2.236 10 30 DEEERO C#CCOCCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000160556932 623951889 /nfs/dbraw/zinc/95/18/89/623951889.db2.gz KPMUMHVOFIHQNE-UHFFFAOYSA-N 1 0 314.429 2.329 10 30 DEEERO C=C(Br)C[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000186321011 634135316 /nfs/dbraw/zinc/13/53/16/634135316.db2.gz UFFVIGDKAHEREP-RYUDHWBXSA-N 1 0 304.228 2.459 10 30 DEEERO COc1ccccc1CNC(=[NH2+])NCc1nccn1CC(C)C ZINC000178582499 635945359 /nfs/dbraw/zinc/94/53/59/635945359.db2.gz SBSRYCZKIBJXBW-UHFFFAOYSA-N 1 0 315.421 2.152 10 30 DEEERO COc1ccc(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1C#N ZINC000747613838 638454254 /nfs/dbraw/zinc/45/42/54/638454254.db2.gz HNFZSOLYPXAQRN-MJBXVCDLSA-N 1 0 315.417 2.444 10 30 DEEERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(NC)=[NH+]C)O[C@@H](C)C2 ZINC000263174294 640104848 /nfs/dbraw/zinc/10/48/48/640104848.db2.gz SMYOZTAORNTAOJ-JKOKRWQUSA-N 1 0 303.406 2.059 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000806855462 645879959 /nfs/dbraw/zinc/87/99/59/645879959.db2.gz MQODIPFOLYGZBG-ZWKOTPCHSA-N 1 0 313.445 2.405 10 30 DEEERO C#CCOc1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000731112992 647447985 /nfs/dbraw/zinc/44/79/85/647447985.db2.gz RENYUWHTOSIKAA-UHFFFAOYSA-N 1 0 301.390 2.257 10 30 DEEERO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000153891804 647847883 /nfs/dbraw/zinc/84/78/83/647847883.db2.gz YOIMSRGVCUEDBT-QGZVFWFLSA-N 1 0 300.402 2.189 10 30 DEEERO CC1(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CCC1 ZINC000304779687 685260815 /nfs/dbraw/zinc/26/08/15/685260815.db2.gz FNEHMDCLTIWMRH-UHFFFAOYSA-N 1 0 304.413 2.453 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)CCc1c(C)nn(C)c1C ZINC000119411241 684080989 /nfs/dbraw/zinc/08/09/89/684080989.db2.gz XVDSKVHYMPIMBS-AWEZNQCLSA-N 1 0 319.449 2.246 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000121098110 684105305 /nfs/dbraw/zinc/10/53/05/684105305.db2.gz IOXIESHBGBMTDI-UHFFFAOYSA-N 1 0 315.417 2.415 10 30 DEEERO Cn1cc(CNC(=[NH2+])N2CCCCCC2)c(C(F)(F)F)n1 ZINC000160794320 684327793 /nfs/dbraw/zinc/32/77/93/684327793.db2.gz YYACLXXWGHTMGX-UHFFFAOYSA-N 1 0 303.332 2.130 10 30 DEEERO CCNC(NCCOc1cccc(Br)c1)=[NH+]CC ZINC000303361778 685231789 /nfs/dbraw/zinc/23/17/89/685231789.db2.gz CXEOKYXWXGAPGO-UHFFFAOYSA-N 1 0 314.227 2.403 10 30 DEEERO COC(=O)CCCCNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000303885797 685237636 /nfs/dbraw/zinc/23/76/36/685237636.db2.gz NJFGLZAFWSEWNY-UHFFFAOYSA-N 1 0 313.785 2.419 10 30 DEEERO CO[C@H]1CCN([C@H]2CCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC000886082472 691999508 /nfs/dbraw/zinc/99/95/08/691999508.db2.gz DIPHBNBKEWOPSF-JQHSSLGASA-N 1 0 317.408 2.429 10 30 DEEERO CCCCCCCCCC[C@H](O)C[N+](C)(CCO)CCO ZINC000060044860 717132030 /nfs/dbraw/zinc/13/20/30/717132030.db2.gz PPNLVOFPDVCCKT-KRWDZBQOSA-N 1 0 304.495 2.309 10 30 DEEERO CCN(CC)c1ccc(/C=[NH+]\CCCn2ccnn2)c(O)c1 ZINC000588424980 777141535 /nfs/dbraw/zinc/14/15/35/777141535.db2.gz LCIITAWDEPVQDD-LGMDPLHJSA-N 1 0 301.394 2.339 10 30 DEEERO C#CC[C@@H](COC)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000714242537 792303919 /nfs/dbraw/zinc/30/39/19/792303919.db2.gz XLHDINSQDGFICY-GJZGRUSLSA-N 1 0 310.438 2.261 10 30 DEEERO C[C@@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)C[NH+]1CCCC1 ZINC000078965084 185136565 /nfs/dbraw/zinc/13/65/65/185136565.db2.gz HCZKVLQHFKCYHL-GJZGRUSLSA-N 1 0 315.417 2.174 10 30 DEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(C#N)cc1 ZINC000079213652 185161679 /nfs/dbraw/zinc/16/16/79/185161679.db2.gz KYACAAOWRJZUOZ-INIZCTEOSA-N 1 0 302.422 2.334 10 30 DEEERO N#Cc1ccc(Nc2nc(NN)[nH+]cc2Br)cc1 ZINC000087896884 185235612 /nfs/dbraw/zinc/23/56/12/185235612.db2.gz DKZIKCBVSWVXDX-UHFFFAOYSA-N 1 0 305.139 2.140 10 30 DEEERO CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1cccc(C#CC[NH3+])c1 ZINC000088310897 185245343 /nfs/dbraw/zinc/24/53/43/185245343.db2.gz MVSNYNMQSDSZDY-ZIAGYGMSSA-N 1 0 308.447 2.100 10 30 DEEERO CN(CCC(F)(F)F)C(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000088436856 185250321 /nfs/dbraw/zinc/25/03/21/185250321.db2.gz MUZWYWVZYYUZRS-UHFFFAOYSA-N 1 0 302.271 2.160 10 30 DEEERO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193209029 282272649 /nfs/dbraw/zinc/27/26/49/282272649.db2.gz ZCBPIVQSVXMMJE-INIZCTEOSA-N 1 0 306.369 2.086 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000625700860 365874827 /nfs/dbraw/zinc/87/48/27/365874827.db2.gz MJKLHIQZYUQFPL-CQSZACIVSA-N 1 0 301.390 2.482 10 30 DEEERO [NH3+]CC#Cc1cc(F)cc(OCCCOCC(F)(F)F)c1 ZINC000133691211 186007814 /nfs/dbraw/zinc/00/78/14/186007814.db2.gz VZWNUWMXNSSOMJ-UHFFFAOYSA-N 1 0 305.271 2.484 10 30 DEEERO N#Cc1ccc(Nc2nc(NN)[nH+]cc2Br)c(F)c1 ZINC000147250305 186039212 /nfs/dbraw/zinc/03/92/12/186039212.db2.gz TUCPONKLGGRUBM-UHFFFAOYSA-N 1 0 323.129 2.279 10 30 DEEERO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1C#N ZINC000150303872 186056536 /nfs/dbraw/zinc/05/65/36/186056536.db2.gz BFIYPBVUMRHZQP-LBPRGKRZSA-N 1 0 315.826 2.007 10 30 DEEERO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000052588680 354408597 /nfs/dbraw/zinc/40/85/97/354408597.db2.gz CVAJFXDWEAFOCQ-MRXNPFEDSA-N 1 0 317.433 2.487 10 30 DEEERO N#Cc1cc(F)c([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(F)c1 ZINC000195265027 283097932 /nfs/dbraw/zinc/09/79/32/283097932.db2.gz PIYGOPIEFRQSAR-CQSZACIVSA-N 1 0 324.294 2.282 10 30 DEEERO Cc1ccc(C#N)c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000161981172 355970186 /nfs/dbraw/zinc/97/01/86/355970186.db2.gz JANPFCHMUVOHDX-QGZVFWFLSA-N 1 0 314.433 2.343 10 30 DEEERO C[C@@H](NS(=O)(=O)CC(C)(C)C)c1ccc(C#CC[NH3+])cc1 ZINC000080192901 192011176 /nfs/dbraw/zinc/01/11/76/192011176.db2.gz SNLMDKDUBPKOAV-CYBMUJFWSA-N 1 0 308.447 2.023 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000182811692 356147002 /nfs/dbraw/zinc/14/70/02/356147002.db2.gz OGODLSPMRLPNLM-QGZVFWFLSA-N 1 0 317.433 2.019 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000320987917 356447911 /nfs/dbraw/zinc/44/79/11/356447911.db2.gz IRJURJVHIIFXMN-VXGBXAGGSA-N 1 0 320.216 2.260 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000081708671 192316350 /nfs/dbraw/zinc/31/63/50/192316350.db2.gz KXSDOZMRGPKMHA-UHFFFAOYSA-N 1 0 302.422 2.091 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000626843280 366343245 /nfs/dbraw/zinc/34/32/45/366343245.db2.gz LTUNRQRULXIBRM-GFCCVEGCSA-N 1 0 303.406 2.363 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]CC)C1 ZINC000626844462 366344686 /nfs/dbraw/zinc/34/46/86/366344686.db2.gz NCWJYYLPHRPYCG-CQSZACIVSA-N 1 0 315.417 2.159 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000580952686 357107092 /nfs/dbraw/zinc/10/70/92/357107092.db2.gz PSVUQEFTZNPYAQ-HOTGVXAUSA-N 1 0 301.386 2.106 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000593903995 358168576 /nfs/dbraw/zinc/16/85/76/358168576.db2.gz OPOLGURQEZWGJT-OAHLLOKOSA-N 1 0 317.389 2.499 10 30 DEEERO C[C@H](COCc1ccccc1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594432863 358268527 /nfs/dbraw/zinc/26/85/27/358268527.db2.gz HHSVXVGUDLHNMK-GDBMZVCRSA-N 1 0 303.406 2.119 10 30 DEEERO C=CC[C@]1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000595927561 358582977 /nfs/dbraw/zinc/58/29/77/358582977.db2.gz PDCFNQNQLUZMCQ-BLLLJJGKSA-N 1 0 303.362 2.470 10 30 DEEERO N#Cc1ccc(NCC2([NH3+])CCOCC2)c(Br)c1 ZINC000600953361 359869870 /nfs/dbraw/zinc/86/98/70/359869870.db2.gz ZFYQAFRYEVBBOU-UHFFFAOYSA-N 1 0 310.195 2.241 10 30 DEEERO C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000627735833 366604947 /nfs/dbraw/zinc/60/49/47/366604947.db2.gz DUQFDMDEWXVQQR-AWEZNQCLSA-N 1 0 315.417 2.111 10 30 DEEERO CN(C(=O)C[NH2+]C1(CCO)CCCCC1)C1(C#N)CCCCC1 ZINC000440905400 237996850 /nfs/dbraw/zinc/99/68/50/237996850.db2.gz PUKPJTMWZAOPOG-UHFFFAOYSA-N 1 0 321.465 2.346 10 30 DEEERO C=C(C)C[C@@H](NC1CC[NH+](Cc2ccccn2)CC1)C(=O)OC ZINC000602735287 360526102 /nfs/dbraw/zinc/52/61/02/360526102.db2.gz UEQNLOVJPWBICI-QGZVFWFLSA-N 1 0 317.433 2.143 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604487939 360910543 /nfs/dbraw/zinc/91/05/43/360910543.db2.gz FTPXVXAHIVYGOS-QGZVFWFLSA-N 1 0 312.417 2.350 10 30 DEEERO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000611982838 361718845 /nfs/dbraw/zinc/71/88/45/361718845.db2.gz XGYSFRSZPXQXEW-KRWDZBQOSA-N 1 0 317.433 2.466 10 30 DEEERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC2CCC(C#N)CC2)C1 ZINC000619658720 363849929 /nfs/dbraw/zinc/84/99/29/363849929.db2.gz NHDBBDPLNQRTMD-GPANFISMSA-N 1 0 306.454 2.346 10 30 DEEERO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(c2cnc(C#N)cn2)CC1 ZINC000275469312 212354085 /nfs/dbraw/zinc/35/40/85/212354085.db2.gz AKOXDYODBNMEGP-QGZVFWFLSA-N 1 0 322.416 2.234 10 30 DEEERO C=CC(C)(C)CCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000623638352 365114182 /nfs/dbraw/zinc/11/41/82/365114182.db2.gz BDQQAGSVPOAHMX-HNNXBMFYSA-N 1 0 322.497 2.056 10 30 DEEERO C=C(C)COc1cc(C[NH2+]C[C@@H]2COCCN2C)ccc1OC ZINC000623710941 365140194 /nfs/dbraw/zinc/14/01/94/365140194.db2.gz PUQKIRAZWZBWCL-MRXNPFEDSA-N 1 0 320.433 2.070 10 30 DEEERO C[C@H](NC(=O)c1ccc(C#N)n1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000450705471 242124804 /nfs/dbraw/zinc/12/48/04/242124804.db2.gz XHARVJDODBOYGK-GUYCJALGSA-N 1 0 310.401 2.318 10 30 DEEERO [NH3+]CC#Cc1cc(NC(=O)c2ccncc2F)ccc1Cl ZINC000094671679 193391946 /nfs/dbraw/zinc/39/19/46/193391946.db2.gz BSYSIOAMTQKICU-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO CCO[C@@H]1CCCN(C(=O)c2cc(C)c(C#CC[NH3+])s2)C1 ZINC000094536524 193378673 /nfs/dbraw/zinc/37/86/73/193378673.db2.gz SRFXLPNOYPENPL-CYBMUJFWSA-N 1 0 306.431 2.008 10 30 DEEERO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CC)CC1 ZINC000453463423 245150710 /nfs/dbraw/zinc/15/07/10/245150710.db2.gz JFUFUZJUVSROJN-HNNXBMFYSA-N 1 0 319.453 2.238 10 30 DEEERO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCC)CC1 ZINC000453424841 245124908 /nfs/dbraw/zinc/12/49/08/245124908.db2.gz KROPALHQQQCYAT-OAHLLOKOSA-N 1 0 319.453 2.238 10 30 DEEERO COc1ccc(Br)cc1[C@@H](C#N)N1CCC[NH2+]CC1 ZINC000037940582 182940675 /nfs/dbraw/zinc/94/06/75/182940675.db2.gz XCVFRCQCGLJCBR-CYBMUJFWSA-N 1 0 324.222 2.318 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000488812991 248812565 /nfs/dbraw/zinc/81/25/65/248812565.db2.gz GGZCHMLJHVWVGE-DZGCQCFKSA-N 1 0 313.392 2.324 10 30 DEEERO N#Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000042167300 183238353 /nfs/dbraw/zinc/23/83/53/183238353.db2.gz ZIBZUGPQIVTOLF-SNVBAGLBSA-N 1 0 308.179 2.401 10 30 DEEERO CN(Cc1cc(C#CC[NH3+])cs1)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000042400614 183264243 /nfs/dbraw/zinc/26/42/43/183264243.db2.gz JSKSIFJBXRITJW-BJJXKVORSA-N 1 0 302.443 2.453 10 30 DEEERO C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(CC#N)CC#N ZINC000043284881 183350552 /nfs/dbraw/zinc/35/05/52/183350552.db2.gz ORWXDNOZFZZNAZ-LDYMZIIASA-N 1 0 313.224 2.248 10 30 DEEERO CCN(CC(F)(F)F)C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043583169 183373265 /nfs/dbraw/zinc/37/32/65/183373265.db2.gz BXGSDOZIJXWFSK-UHFFFAOYSA-N 1 0 302.271 2.160 10 30 DEEERO Cc1cc(C#N)ccc1-c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000274007437 211264900 /nfs/dbraw/zinc/26/49/00/211264900.db2.gz MTINEWOPPPZOBI-UKRRQHHQSA-N 1 0 310.357 2.452 10 30 DEEERO CO[C@H]1C[C@@H](CN(C)c2c(C#N)cnc3ccccc32)[N@H+](C)C1 ZINC000284535072 218067536 /nfs/dbraw/zinc/06/75/36/218067536.db2.gz LGNNSFNBPCJRLP-GJZGRUSLSA-N 1 0 310.401 2.262 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000273881950 211141845 /nfs/dbraw/zinc/14/18/45/211141845.db2.gz XPFJXELVZFIASA-SNVBAGLBSA-N 1 0 316.195 2.190 10 30 DEEERO C#CCOc1ccccc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000105905341 194166983 /nfs/dbraw/zinc/16/69/83/194166983.db2.gz MXXZDRYSEKZHHZ-KRWDZBQOSA-N 1 0 322.412 2.247 10 30 DEEERO CC[C@H]1CN(C(=O)c2cc(C#CC[NH3+])ccc2F)CCS1 ZINC000157982392 197233176 /nfs/dbraw/zinc/23/31/76/197233176.db2.gz DBTRYFKFHZCRIU-ZDUSSCGKSA-N 1 0 306.406 2.104 10 30 DEEERO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000156830893 197143779 /nfs/dbraw/zinc/14/37/79/197143779.db2.gz DJTRLFIHKJLDKC-IYBDPMFKSA-N 1 0 318.442 2.454 10 30 DEEERO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000155320959 197043115 /nfs/dbraw/zinc/04/31/15/197043115.db2.gz YBGNVWKCFHZBRU-OFQRWUPVSA-N 1 0 300.402 2.011 10 30 DEEERO N#Cc1ccc(CNc2nc(NN)[nH+]cc2Br)cc1 ZINC000123470038 195585909 /nfs/dbraw/zinc/58/59/09/195585909.db2.gz KCAQKAQIYADELO-UHFFFAOYSA-N 1 0 319.166 2.008 10 30 DEEERO Cn1cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1C#N ZINC000191285636 145055138 /nfs/dbraw/zinc/05/51/38/145055138.db2.gz XCQRPYOLSFNSQT-KRWDZBQOSA-N 1 0 303.406 2.057 10 30 DEEERO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccnc(C#N)c2)c1 ZINC000193150819 145083000 /nfs/dbraw/zinc/08/30/00/145083000.db2.gz MWNACLPQTNZFLP-UHFFFAOYSA-N 1 0 322.412 2.466 10 30 DEEERO Cn1nccc1C1=CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000370592137 148033813 /nfs/dbraw/zinc/03/38/13/148033813.db2.gz DUIFHMQOENFYRU-SFHVURJKSA-N 1 0 308.385 2.114 10 30 DEEERO C#CCCOc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000113338983 401776942 /nfs/dbraw/zinc/77/69/42/401776942.db2.gz RVSYPGCOSBGGJT-LJQANCHMSA-N 1 0 314.429 2.042 10 30 DEEERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)cn1 ZINC000116311371 401848470 /nfs/dbraw/zinc/84/84/70/401848470.db2.gz MNAJUHUGHDLGMV-OAHLLOKOSA-N 1 0 323.400 2.110 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[NH+]1CCCCCC1 ZINC000078451588 401852057 /nfs/dbraw/zinc/85/20/57/401852057.db2.gz BYKRGCWVFUQWSB-OAHLLOKOSA-N 1 0 315.417 2.318 10 30 DEEERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000118793937 401907994 /nfs/dbraw/zinc/90/79/94/401907994.db2.gz ZCQMABFQHLWFSY-CYBMUJFWSA-N 1 0 322.796 2.006 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1cccc(OCC#N)c1 ZINC000120772439 402001176 /nfs/dbraw/zinc/00/11/76/402001176.db2.gz BQXJPENUJNKNSN-INIZCTEOSA-N 1 0 315.417 2.074 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2OCC#N)[C@H](C)C1 ZINC000122457734 402079594 /nfs/dbraw/zinc/07/95/94/402079594.db2.gz FTDCPAQADDXIMN-ZBFHGGJFSA-N 1 0 315.417 2.391 10 30 DEEERO CN(c1cnc(C#N)cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000126127182 402265554 /nfs/dbraw/zinc/26/55/54/402265554.db2.gz AVNVOAKCGDVKLH-KRWDZBQOSA-N 1 0 307.401 2.449 10 30 DEEERO C[NH+](C)CC1CCC(NC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000160418163 402344800 /nfs/dbraw/zinc/34/48/00/402344800.db2.gz UCQVDXMZZQTRCL-UHFFFAOYSA-N 1 0 318.425 2.039 10 30 DEEERO C#CCOCCC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000163410259 402449340 /nfs/dbraw/zinc/44/93/40/402449340.db2.gz IHRSYIRPCAEJPM-IBGZPJMESA-N 1 0 314.429 2.197 10 30 DEEERO C=CCC(CC=C)C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000163023912 402439463 /nfs/dbraw/zinc/43/94/63/402439463.db2.gz QACOFDOYHJEHMC-SFHVURJKSA-N 1 0 319.493 2.383 10 30 DEEERO C=CC[C@H](CO)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000186701719 402457264 /nfs/dbraw/zinc/45/72/64/402457264.db2.gz GGZLMYDHSFOIMV-GOSISDBHSA-N 1 0 306.425 2.359 10 30 DEEERO N#CC1(c2ccc(C(=O)N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000180132955 402608285 /nfs/dbraw/zinc/60/82/85/402608285.db2.gz NGSDSARBJFGAOF-UHFFFAOYSA-N 1 0 309.413 2.410 10 30 DEEERO CC[C@H]1CN(Cc2ccc(C#N)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000249154597 402622400 /nfs/dbraw/zinc/62/24/00/402622400.db2.gz ZYDULGCNQIWYOI-YJBOKZPZSA-N 1 0 301.434 2.144 10 30 DEEERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000181559132 402649774 /nfs/dbraw/zinc/64/97/74/402649774.db2.gz HDDBARRYIHFQBT-DOTOQJQBSA-N 1 0 317.433 2.086 10 30 DEEERO CC[NH+](CC)[C@H](CNC(=O)c1ccnc(C#N)c1)c1ccco1 ZINC000192961767 402758727 /nfs/dbraw/zinc/75/87/27/402758727.db2.gz BGOUBNNVJKACDJ-OAHLLOKOSA-N 1 0 312.373 2.359 10 30 DEEERO N#Cc1ccc(CSCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195333212 402842545 /nfs/dbraw/zinc/84/25/45/402842545.db2.gz CTASRYVUFRQYKV-INIZCTEOSA-N 1 0 315.442 2.098 10 30 DEEERO C#CC[NH+]1CCC(C(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000195006983 402826161 /nfs/dbraw/zinc/82/61/61/402826161.db2.gz PYPWZFVDSZAJAQ-UHFFFAOYSA-N 1 0 300.446 2.273 10 30 DEEERO C=C(C)CS(=O)(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000184338390 402836606 /nfs/dbraw/zinc/83/66/06/402836606.db2.gz QSZLYPWEYGCIQQ-UHFFFAOYSA-N 1 0 323.462 2.146 10 30 DEEERO C=CCCS(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268808212 403115976 /nfs/dbraw/zinc/11/59/76/403115976.db2.gz SPFSAMYVRWMXEG-INIZCTEOSA-N 1 0 308.447 2.099 10 30 DEEERO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000284785358 403271694 /nfs/dbraw/zinc/27/16/94/403271694.db2.gz YPOGMYXZVVHUCS-KSZLIROESA-N 1 0 300.402 2.310 10 30 DEEERO C#CCC(CC#C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000287651594 403643115 /nfs/dbraw/zinc/64/31/15/403643115.db2.gz GTGAEOZIYYUOSY-UHFFFAOYSA-N 1 0 300.377 2.037 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000287993850 403705477 /nfs/dbraw/zinc/70/54/77/403705477.db2.gz KTFRZPTUZQBLJK-GOSISDBHSA-N 1 0 312.413 2.077 10 30 DEEERO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CC)CC1 ZINC000289547391 403984719 /nfs/dbraw/zinc/98/47/19/403984719.db2.gz FBLZVVHDGXYFBF-UHFFFAOYSA-N 1 0 301.394 2.174 10 30 DEEERO C[C@@H]1CCO[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328617591 404115686 /nfs/dbraw/zinc/11/56/86/404115686.db2.gz CWDBMHONGHIPJS-SYAUCNOPSA-N 1 0 303.406 2.456 10 30 DEEERO CC(=O)Nc1ccn([C@H]2CCN(Cc3nc(C4CC4)no3)C2)n1 ZINC000328618976 404115772 /nfs/dbraw/zinc/11/57/72/404115772.db2.gz FJHKDCAPUGIPMP-LBPRGKRZSA-N 1 0 316.365 2.198 10 30 DEEERO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000352086273 404134864 /nfs/dbraw/zinc/13/48/64/404134864.db2.gz ZWTYKTYPARJESB-RCBQFDQVSA-N 1 0 321.852 2.366 10 30 DEEERO Cc1nn(C)c(C)c1NC(=O)CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000329508076 404359931 /nfs/dbraw/zinc/35/99/31/404359931.db2.gz AWQAXIRJAFFJCZ-SWLSCSKDSA-N 1 0 319.453 2.184 10 30 DEEERO C#Cc1ccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000296903942 404365368 /nfs/dbraw/zinc/36/53/68/404365368.db2.gz OOFCZQZFSGUBGD-UHFFFAOYSA-N 1 0 311.429 2.484 10 30 DEEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCC[N@H+](CC)C2)cn1 ZINC000330355515 404635199 /nfs/dbraw/zinc/63/51/99/404635199.db2.gz QQYJHCCGWNGGIT-OWCLPIDISA-N 1 0 320.437 2.421 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000365957490 404746918 /nfs/dbraw/zinc/74/69/18/404746918.db2.gz XBIPSIOCCXJHPC-GVDBMIGSSA-N 1 0 306.450 2.445 10 30 DEEERO C=CCC[C@@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)C1CC1 ZINC000358141484 404754948 /nfs/dbraw/zinc/75/49/48/404754948.db2.gz PKRPOTGLIAOQOS-GOSISDBHSA-N 1 0 319.493 2.265 10 30 DEEERO C=CCOc1cccc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000415016921 404788784 /nfs/dbraw/zinc/78/87/84/404788784.db2.gz QSTZKCBPNAPAKJ-ZDUSSCGKSA-N 1 0 311.332 2.370 10 30 DEEERO Cc1nc(C(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1C#N ZINC000408035225 405094591 /nfs/dbraw/zinc/09/45/91/405094591.db2.gz KHDMBTSGHKSKQL-UHFFFAOYSA-N 1 0 312.417 2.352 10 30 DEEERO N#Cc1cnccc1NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000367429098 405045954 /nfs/dbraw/zinc/04/59/54/405045954.db2.gz FGWMETPUMHBSIF-KRWDZBQOSA-N 1 0 324.453 2.405 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000424295208 405061289 /nfs/dbraw/zinc/06/12/89/405061289.db2.gz MKNXSRHQHJWBLO-NEPXVJNWSA-N 1 0 315.461 2.473 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccncc1C#N ZINC000367808415 405160029 /nfs/dbraw/zinc/16/00/29/405160029.db2.gz GPHNTRGHJDNNQW-KBXCAEBGSA-N 1 0 324.432 2.206 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000437539559 405205501 /nfs/dbraw/zinc/20/55/01/405205501.db2.gz UIEDHOOAOPASIZ-XGHPGWEVSA-N 1 0 323.481 2.387 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000425857798 405324922 /nfs/dbraw/zinc/32/49/22/405324922.db2.gz PVCOHYZQCVGAFJ-UGUYLWEFSA-N 1 0 309.454 2.092 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000425879444 405326294 /nfs/dbraw/zinc/32/62/94/405326294.db2.gz QRDHRUKXGMZFHX-ZOBUZTSGSA-N 1 0 321.465 2.093 10 30 DEEERO C=CCSc1ccccc1NC(=O)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000420348623 405328321 /nfs/dbraw/zinc/32/83/21/405328321.db2.gz ALWLXCHZYZHHKV-STQMWFEESA-N 1 0 305.447 2.325 10 30 DEEERO C[C@H]1CCC[C@@](CNC(=O)c2ccc(C#N)n2C)([NH+](C)C)C1 ZINC000448768902 405446631 /nfs/dbraw/zinc/44/66/31/405446631.db2.gz RPADVCQHFWKNAF-SUMWQHHRSA-N 1 0 302.422 2.137 10 30 DEEERO C=C(C)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635819285 405532440 /nfs/dbraw/zinc/53/24/40/405532440.db2.gz ZQBXFTJMFXATMI-IEBWSBKVSA-N 1 0 314.429 2.217 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCCC[C@H]2CCCC[C@@H]2O)CC1 ZINC000432394355 405758684 /nfs/dbraw/zinc/75/86/84/405758684.db2.gz IZALZFHYQFPFQJ-WBVHZDCISA-N 1 0 323.481 2.267 10 30 DEEERO C[C@@H](NC(=O)c1ccc(C#N)n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450520302 405939795 /nfs/dbraw/zinc/93/97/95/405939795.db2.gz UYLFFPIWSBBRCH-KGLIPLIRSA-N 1 0 314.433 2.280 10 30 DEEERO C=CCCCCCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000566985481 406093134 /nfs/dbraw/zinc/09/31/34/406093134.db2.gz LUUWLHFIMYOLDE-UHFFFAOYSA-N 1 0 323.481 2.274 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](CCC2CCCCCC2)CC1 ZINC000515019922 406056458 /nfs/dbraw/zinc/05/64/58/406056458.db2.gz SARXJMOKMPYACT-UHFFFAOYSA-N 1 0 307.482 2.267 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000637621046 406368023 /nfs/dbraw/zinc/36/80/23/406368023.db2.gz KZHSQCSPYRCCCQ-UHFFFAOYSA-N 1 0 311.470 2.077 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000637620258 406368231 /nfs/dbraw/zinc/36/82/31/406368231.db2.gz AVKGFPIVUFZZBJ-LSDHHAIUSA-N 1 0 311.470 2.075 10 30 DEEERO C=CC[C@@H](CO)C[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000491332089 406570568 /nfs/dbraw/zinc/57/05/68/406570568.db2.gz GRWPCHQZSFMUJW-CQSZACIVSA-N 1 0 313.401 2.426 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1coc(CO)c1)C(C)C ZINC000635559741 406590175 /nfs/dbraw/zinc/59/01/75/406590175.db2.gz IDERHPJFXXDIIP-MRXNPFEDSA-N 1 0 306.406 2.200 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NCc2nccs2)cc1Cl ZINC000129080414 196017142 /nfs/dbraw/zinc/01/71/42/196017142.db2.gz RGMMOMCHDFDPDW-UHFFFAOYSA-N 1 0 305.790 2.037 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)Nc2ccc(F)cn2)cc1Cl ZINC000129188776 196027670 /nfs/dbraw/zinc/02/76/70/196027670.db2.gz PBJGSMLOCLAFCE-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO Cc1cc(C#CC[NH3+])cc(C(=O)NC[C@H]2CCCCS2)c1 ZINC000131828086 196202654 /nfs/dbraw/zinc/20/26/54/196202654.db2.gz VQQJUAWWKCHTBD-MRXNPFEDSA-N 1 0 302.443 2.321 10 30 DEEERO C#CC[C@@H](CC)NS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000133223188 196322806 /nfs/dbraw/zinc/32/28/06/196322806.db2.gz OZOJJUHHLQXMQU-GFCCVEGCSA-N 1 0 312.435 2.248 10 30 DEEERO C[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000188494797 225023289 /nfs/dbraw/zinc/02/32/89/225023289.db2.gz YMFKUPVBBQJRKJ-OAHLLOKOSA-N 1 0 311.429 2.438 10 30 DEEERO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000245912762 225223213 /nfs/dbraw/zinc/22/32/13/225223213.db2.gz DRLOBHGOAISJDO-MAUKXSAKSA-N 1 0 318.848 2.344 10 30 DEEERO CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000262271498 225267902 /nfs/dbraw/zinc/26/79/02/225267902.db2.gz GWEFHMPWYVASLC-GASCZTMLSA-N 1 0 320.481 2.085 10 30 DEEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000262363461 225268881 /nfs/dbraw/zinc/26/88/81/225268881.db2.gz HGBKLBPLCVNNTK-YUELXQCFSA-N 1 0 303.406 2.373 10 30 DEEERO [NH2+]=C(NCCc1c[nH]c2ccc(Cl)cc12)NC[C@H]1CCCO1 ZINC000262693444 225282089 /nfs/dbraw/zinc/28/20/89/225282089.db2.gz WOVBOCXOMHCVLL-CYBMUJFWSA-N 1 0 320.824 2.447 10 30 DEEERO Cc1nc(CNC(=[NH2+])NCC(C)C)sc1Br ZINC000263078171 225290536 /nfs/dbraw/zinc/29/05/36/225290536.db2.gz HLOIPAPLOCDBGA-UHFFFAOYSA-N 1 0 305.245 2.274 10 30 DEEERO COc1cccc(OC(F)(F)F)c1CNC(=[NH2+])N1CCC1 ZINC000263106349 225290684 /nfs/dbraw/zinc/29/06/84/225290684.db2.gz KPDWSFZKTYTUHG-UHFFFAOYSA-N 1 0 303.284 2.114 10 30 DEEERO [NH2+]=C(NCc1ncc(C(F)(F)F)cn1)NC1CCCCC1 ZINC000263055075 225291511 /nfs/dbraw/zinc/29/15/11/225291511.db2.gz DVEYCMCERWZYED-UHFFFAOYSA-N 1 0 301.316 2.232 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000333845761 226111153 /nfs/dbraw/zinc/11/11/53/226111153.db2.gz WFGDYQCMYBRTMH-GJZGRUSLSA-N 1 0 304.438 2.244 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000451682221 276919164 /nfs/dbraw/zinc/91/91/64/276919164.db2.gz OEUUYBQRLIFQRD-UPJWGTAASA-N 1 0 320.355 2.111 10 30 DEEERO C[N@@H+]1CCC[C@@H]1CCN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000329158184 277061683 /nfs/dbraw/zinc/06/16/83/277061683.db2.gz CRUWHVXWQLEXRC-KHYOSLBOSA-N 1 0 324.428 2.466 10 30 DEEERO CC[NH+]=C(NCCNC(=O)C(C)(C)C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261704365 278167086 /nfs/dbraw/zinc/16/70/86/278167086.db2.gz JKGHZECRUHHFBY-GASCZTMLSA-N 1 0 322.497 2.236 10 30 DEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCC[C@]2(CCCOC2)C1 ZINC000262792724 278167824 /nfs/dbraw/zinc/16/78/24/278167824.db2.gz OQJKYBFWFRHIAW-BQFCYCMXSA-N 1 0 323.481 2.006 10 30 DEEERO N#Cc1cc(F)c(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000301713940 303182233 /nfs/dbraw/zinc/18/22/33/303182233.db2.gz IZWRDMOVZDEKRA-ZIAGYGMSSA-N 1 0 321.371 2.262 10 30 DEEERO COC[C@@H](C)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000189602244 333155357 /nfs/dbraw/zinc/15/53/57/333155357.db2.gz POQYKZMZUJZBEN-INIZCTEOSA-N 1 0 301.434 2.348 10 30 DEEERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000188008269 333156871 /nfs/dbraw/zinc/15/68/71/333156871.db2.gz DBBZODZFDHGNDY-CRAIPNDOSA-N 1 0 321.465 2.154 10 30 DEEERO C[C@]1(CNc2ccnc(C#N)n2)CCC[N@@H+]1Cc1ccccc1 ZINC000397934938 337300892 /nfs/dbraw/zinc/30/08/92/337300892.db2.gz WVZLFISCRZWANE-GOSISDBHSA-N 1 0 307.401 2.237 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000580445158 337677664 /nfs/dbraw/zinc/67/76/64/337677664.db2.gz LEDCGWAXCGTOAF-UONOGXRCSA-N 1 0 303.324 2.135 10 30 DEEERO C=CCOc1ccc(CN2CC[NH2+]C[C@@H]2C(F)F)cc1OC ZINC000517236221 340466320 /nfs/dbraw/zinc/46/63/20/340466320.db2.gz NNASWLMIQYXHNV-CYBMUJFWSA-N 1 0 312.360 2.299 10 30 DEEERO C[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000188494772 533885796 /nfs/dbraw/zinc/88/57/96/533885796.db2.gz YMFKUPVBBQJRKJ-HNNXBMFYSA-N 1 0 311.429 2.438 10 30 DEEERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000333682802 534109051 /nfs/dbraw/zinc/10/90/51/534109051.db2.gz OZDMSYXUMNQXCT-ORQFMDKSSA-N 1 0 312.417 2.076 10 30 DEEERO Cc1ccc(-c2nc(CNC(=[NH2+])N3CCO[C@@H](C)C3)co2)cc1 ZINC000262456330 534211177 /nfs/dbraw/zinc/21/11/77/534211177.db2.gz LGLPJUODSXRPJZ-ZDUSSCGKSA-N 1 0 314.389 2.185 10 30 DEEERO N#CC1CCC(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000441003907 534580889 /nfs/dbraw/zinc/58/08/89/534580889.db2.gz WKBKBMVMUBZGAL-YMAMQOFZSA-N 1 0 304.438 2.100 10 30 DEEERO C[NH+]=C(NCC1CCCC1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261970595 526351138 /nfs/dbraw/zinc/35/11/38/526351138.db2.gz MOYVNBDIQDHELU-OAHLLOKOSA-N 1 0 302.422 2.300 10 30 DEEERO C[NH+]=C(NCCc1c(C)nn(C)c1C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261664990 526363627 /nfs/dbraw/zinc/36/36/27/526363627.db2.gz GGCJKLCQAHGSER-HOTGVXAUSA-N 1 0 317.481 2.277 10 30 DEEERO C[NH+]=C(NCCn1cccn1)N1CC=C(c2ccccc2)CC1 ZINC000114080749 526367606 /nfs/dbraw/zinc/36/76/06/526367606.db2.gz AXOSRFCKPZWNBT-UHFFFAOYSA-N 1 0 309.417 2.248 10 30 DEEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CCC[C@@H]1C#N ZINC000261826631 526396171 /nfs/dbraw/zinc/39/61/71/526396171.db2.gz UZQLRGMSZFRLDO-JKJDWNRSSA-N 1 0 316.449 2.191 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247580823 526543347 /nfs/dbraw/zinc/54/33/47/526543347.db2.gz YKRDAAHJTCLHHX-LSDHHAIUSA-N 1 0 304.438 2.023 10 30 DEEERO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418723718 526571036 /nfs/dbraw/zinc/57/10/36/526571036.db2.gz MXSUBQSRZUIHKW-UONOGXRCSA-N 1 0 307.442 2.287 10 30 DEEERO C=CCOc1cccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1 ZINC000418115469 526901615 /nfs/dbraw/zinc/90/16/15/526901615.db2.gz PJBDENMCIACICO-CVEARBPZSA-N 1 0 304.434 2.138 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000186579323 527195137 /nfs/dbraw/zinc/19/51/37/527195137.db2.gz NVQNSJICJMRZFV-AQFXKWCLSA-N 1 0 323.481 2.266 10 30 DEEERO C=CCCCNC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000447957968 527221589 /nfs/dbraw/zinc/22/15/89/527221589.db2.gz COZYPPXRTYMFGT-HZPDHXFCSA-N 1 0 311.470 2.389 10 30 DEEERO C=CCc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1O ZINC000245745628 527236269 /nfs/dbraw/zinc/23/62/69/527236269.db2.gz MPJNITRPVFEFMP-INIZCTEOSA-N 1 0 302.418 2.409 10 30 DEEERO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000192012972 527464644 /nfs/dbraw/zinc/46/46/44/527464644.db2.gz BKPQCMRHWFQURK-QGZVFWFLSA-N 1 0 306.413 2.455 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373935699 527634432 /nfs/dbraw/zinc/63/44/32/527634432.db2.gz FAUSOZUJRURHTO-HOTGVXAUSA-N 1 0 314.433 2.245 10 30 DEEERO CC1CCC([NH+]2CCN(C(=O)c3ccnc(C#N)c3)CC2)CC1 ZINC000193279470 528193827 /nfs/dbraw/zinc/19/38/27/528193827.db2.gz GPYGCWDWHIHZTE-UHFFFAOYSA-N 1 0 312.417 2.290 10 30 DEEERO CC[NH+]=C(NCCC1CCCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261838647 528804976 /nfs/dbraw/zinc/80/49/76/528804976.db2.gz WJEBXOGWUBUSTE-SFHVURJKSA-N 1 0 320.481 2.134 10 30 DEEERO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(C#N)o1 ZINC000458226664 535869999 /nfs/dbraw/zinc/86/99/99/535869999.db2.gz RCNJSIVXNUKMLA-UHFFFAOYSA-N 1 0 303.387 2.417 10 30 DEEERO C#CCOc1ccccc1NC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000188073655 625106873 /nfs/dbraw/zinc/10/68/73/625106873.db2.gz QDVLUIXCWXECNI-AWEZNQCLSA-N 1 0 301.390 2.304 10 30 DEEERO C=CCn1c(C)nn(CN(C)C[C@@H]2CCC[N@H+]2CC)c1=S ZINC000177158342 625864234 /nfs/dbraw/zinc/86/42/34/625864234.db2.gz UQSMYRBEYSOMDP-AWEZNQCLSA-N 1 0 309.483 2.282 10 30 DEEERO [NH2+]=C(NC[C@@H](c1ccccc1)C(F)(F)F)NC[C@@H]1CCCO1 ZINC000185947989 632946353 /nfs/dbraw/zinc/94/63/53/632946353.db2.gz CBWGBEJTWVUXON-STQMWFEESA-N 1 0 315.339 2.416 10 30 DEEERO CCCOCc1ccccc1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000195522581 633130293 /nfs/dbraw/zinc/13/02/93/633130293.db2.gz PSVYGMWLEQUSJN-INIZCTEOSA-N 1 0 305.422 2.197 10 30 DEEERO C[NH+]=C(NCc1cc(F)ccc1SC)NC[C@H]1CCOC1 ZINC000261611751 635929210 /nfs/dbraw/zinc/92/92/10/635929210.db2.gz ATTZNXSOGKVYLZ-LLVKDONJSA-N 1 0 311.426 2.249 10 30 DEEERO CC[NH+]=C(NCCOC)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000262023229 637026734 /nfs/dbraw/zinc/02/67/34/637026734.db2.gz ZFUIDDPSYLKWBQ-CQSZACIVSA-N 1 0 305.422 2.490 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccn(CC(F)F)n1 ZINC000192861023 637545999 /nfs/dbraw/zinc/54/59/99/637545999.db2.gz SSIKZTNGNJBTKW-LBPRGKRZSA-N 1 0 313.348 2.039 10 30 DEEERO N#CCOc1ccc(Cl)cc1C[NH2+]C1(C(N)=O)CCCC1 ZINC000746472792 638346853 /nfs/dbraw/zinc/34/68/53/638346853.db2.gz NSCMBZVOTLXDHI-UHFFFAOYSA-N 1 0 307.781 2.130 10 30 DEEERO CC[N@H+](CCNC(=O)NCc1ccc(OC)c(C#N)c1)C(C)C ZINC000746726336 638373622 /nfs/dbraw/zinc/37/36/22/638373622.db2.gz XONTXOSNAOHPHS-UHFFFAOYSA-N 1 0 318.421 2.096 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000805184878 640103197 /nfs/dbraw/zinc/10/31/97/640103197.db2.gz XJCPFWHSFQRRGX-WBVHZDCISA-N 1 0 301.434 2.260 10 30 DEEERO C#CC[N@H+]1CCC[C@H]1COC(=O)COc1ccc(C)c(C)c1 ZINC000729810031 640843308 /nfs/dbraw/zinc/84/33/08/640843308.db2.gz REZJUZZTBCENPM-INIZCTEOSA-N 1 0 301.386 2.323 10 30 DEEERO C#CC[N@H+]1CCC[C@H]1COC(=O)COc1ccc(CC)cc1 ZINC000729810395 640843381 /nfs/dbraw/zinc/84/33/81/640843381.db2.gz WZQOTVQCEHKFJS-INIZCTEOSA-N 1 0 301.386 2.269 10 30 DEEERO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCCOc1ccccc1 ZINC000729808871 640843390 /nfs/dbraw/zinc/84/33/90/640843390.db2.gz FSVRHGDVKIYRIV-MRXNPFEDSA-N 1 0 301.386 2.486 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CCC[NH+](C)C ZINC000807470524 645955451 /nfs/dbraw/zinc/95/54/51/645955451.db2.gz PCGUIJXVNZXKIG-QGZVFWFLSA-N 1 0 301.434 2.214 10 30 DEEERO Cc1nnc(-c2cccc(C#N)c2)n1CN1CCO[C@H](C)[C@@H]1C ZINC000164309333 646434270 /nfs/dbraw/zinc/43/42/70/646434270.db2.gz GFCMENYLPNXTAA-QWHCGFSZSA-N 1 0 311.389 2.192 10 30 DEEERO C=C(Br)CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000174376723 646806081 /nfs/dbraw/zinc/80/60/81/646806081.db2.gz WOUNZFMEHXGPHW-WDEREUQCSA-N 1 0 304.232 2.019 10 30 DEEERO [NH2+]=C(NC[C@@H]1COc2ccccc2O1)NC1CCCCCC1 ZINC000092276845 684041262 /nfs/dbraw/zinc/04/12/62/684041262.db2.gz XUKFGOIWWPJBBV-CQSZACIVSA-N 1 0 303.406 2.454 10 30 DEEERO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123629160 684126996 /nfs/dbraw/zinc/12/69/96/684126996.db2.gz CSZYMUPGXAJEAP-ZDUSSCGKSA-N 1 0 308.389 2.137 10 30 DEEERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000159634813 684317833 /nfs/dbraw/zinc/31/78/33/684317833.db2.gz CTERKBZMLGSYRO-GDBMZVCRSA-N 1 0 314.433 2.122 10 30 DEEERO CCN(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)c1ccsc1 ZINC000161501153 684328876 /nfs/dbraw/zinc/32/88/76/684328876.db2.gz OLNNQMHIMCULGA-HUUCEWRRSA-N 1 0 324.494 2.214 10 30 DEEERO COc1cccc(CCNC(=[NH2+])NCCc2cccs2)c1 ZINC000303774058 685234187 /nfs/dbraw/zinc/23/41/87/685234187.db2.gz FTCYTKKNMRQXMH-UHFFFAOYSA-N 1 0 303.431 2.446 10 30 DEEERO [NH2+]=C(NCCNc1ccccc1[N+](=O)[O-])NC1CCCCC1 ZINC000303774561 685234326 /nfs/dbraw/zinc/23/43/26/685234326.db2.gz GAFLFWVZZZGVBM-UHFFFAOYSA-N 1 0 305.382 2.244 10 30 DEEERO CC(C)(C)NC(=[NH2+])NCc1ccc(Cn2ccccc2=O)cc1 ZINC000303878983 685237290 /nfs/dbraw/zinc/23/72/90/685237290.db2.gz JKDQGCDJKXBFLS-UHFFFAOYSA-N 1 0 312.417 2.099 10 30 DEEERO CCCCCCNC(=[NH2+])NCc1cc(OC)c(O)c(OC)c1 ZINC000303898369 685238875 /nfs/dbraw/zinc/23/88/75/685238875.db2.gz VMPJKEYTADEAMM-UHFFFAOYSA-N 1 0 309.410 2.394 10 30 DEEERO CCc1nc(CCNC(=[NH2+])NCCc2cccs2)cs1 ZINC000303989924 685242396 /nfs/dbraw/zinc/24/23/96/685242396.db2.gz YBSPVRKDCVXYQI-UHFFFAOYSA-N 1 0 308.476 2.457 10 30 DEEERO N#Cc1cc(Br)ccc1NCCN1CCC([NH3+])CC1 ZINC000721960784 787324987 /nfs/dbraw/zinc/32/49/87/787324987.db2.gz LEXODKAJYKODPE-UHFFFAOYSA-N 1 0 323.238 2.156 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000716828695 793008477 /nfs/dbraw/zinc/00/84/77/793008477.db2.gz MOJPJBPVNDSITJ-RBSFLKMASA-N 1 0 310.438 2.260 10 30 DEEERO CC#CC[C@H](CO)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000717741213 799430535 /nfs/dbraw/zinc/43/05/35/799430535.db2.gz VWKNQOUVRKORAX-RBSFLKMASA-N 1 0 322.449 2.186 10 30 DEEERO C#CCC[C@H](O)C[NH2+]Cc1ccc(Br)cc1F ZINC000717847443 1091324755 /nfs/dbraw/zinc/32/47/55/1091324755.db2.gz GJFDVYPVYMAAHV-LBPRGKRZSA-N 1 0 300.171 2.452 10 30 DEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000076733820 185036814 /nfs/dbraw/zinc/03/68/14/185036814.db2.gz SVKQFHSWOJGGAR-CQSZACIVSA-N 1 0 318.417 2.376 10 30 DEEERO COc1ccc(C#CC[NH3+])c(CSc2nnc(C)s2)c1 ZINC000087796010 185232011 /nfs/dbraw/zinc/23/20/11/185232011.db2.gz DOZKIOIOHZUWAF-UHFFFAOYSA-N 1 0 305.428 2.458 10 30 DEEERO Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000092341636 185313318 /nfs/dbraw/zinc/31/33/18/185313318.db2.gz UCPLSTYPCRAXMD-SECBINFHSA-N 1 0 303.387 2.154 10 30 DEEERO C=C[C@@](C)(O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000613677238 362178295 /nfs/dbraw/zinc/17/82/95/362178295.db2.gz DDUJZBRVBQGKRZ-ZWKOTPCHSA-N 1 0 302.418 2.094 10 30 DEEERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccccc3OCC#N)CC[C@H]21 ZINC000248062084 530064491 /nfs/dbraw/zinc/06/44/91/530064491.db2.gz LXJQPIZQRDMTBN-GOEBONIOSA-N 1 0 313.401 2.145 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC000625701514 365875044 /nfs/dbraw/zinc/87/50/44/365875044.db2.gz SISXJMCCRAGJDF-AWEZNQCLSA-N 1 0 309.431 2.367 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@H](O)COc2c(OC)cccc2OC)C1 ZINC000625700560 365875058 /nfs/dbraw/zinc/87/50/58/365875058.db2.gz KGQKLPSUXJKCTK-CABCVRRESA-N 1 0 321.417 2.342 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2OC)C1 ZINC000625704063 365876676 /nfs/dbraw/zinc/87/66/76/365876676.db2.gz RRHNZNHMXOKNRK-RDJZCZTQSA-N 1 0 305.418 2.471 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000625699153 365874510 /nfs/dbraw/zinc/87/45/10/365874510.db2.gz ATZDKTGYFCFSIG-AWEZNQCLSA-N 1 0 301.390 2.482 10 30 DEEERO C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(C#CC[NH3+])cc1F ZINC000133661239 186004034 /nfs/dbraw/zinc/00/40/34/186004034.db2.gz NEYLNFXFQIHQDA-NEPJUHHUSA-N 1 0 306.406 2.102 10 30 DEEERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000329945584 539932128 /nfs/dbraw/zinc/93/21/28/539932128.db2.gz JDWCGKCHKPMHRI-HUUCEWRRSA-N 1 0 319.453 2.220 10 30 DEEERO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc3c(c2)COC3)CC1 ZINC000329677232 539926448 /nfs/dbraw/zinc/92/64/48/539926448.db2.gz WPMLDUPQPAXLLC-QGZVFWFLSA-N 1 0 318.417 2.114 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617703112 363228016 /nfs/dbraw/zinc/22/80/16/363228016.db2.gz BOPYJAUDUQUYFU-MAUKXSAKSA-N 1 0 316.445 2.472 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](Cc2c(C)cc(C)cc2C)CC1 ZINC000053601592 354440159 /nfs/dbraw/zinc/44/01/59/354440159.db2.gz GITACPFUSSNUEW-UHFFFAOYSA-N 1 0 315.461 2.032 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC ZINC000595601344 358497722 /nfs/dbraw/zinc/49/77/22/358497722.db2.gz BEDUNHYSHZGHGI-PNBKFKSVSA-N 1 0 324.465 2.415 10 30 DEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC(C(=O)OC)CC1 ZINC000595602342 358497742 /nfs/dbraw/zinc/49/77/42/358497742.db2.gz IJPBPKLLADJOGK-GDBMZVCRSA-N 1 0 322.449 2.123 10 30 DEEERO N#C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CC1 ZINC000108829152 355738666 /nfs/dbraw/zinc/73/86/66/355738666.db2.gz CVJNABGFEFORRI-RDJZCZTQSA-N 1 0 315.392 2.456 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCCC12CCCCC2 ZINC000595604928 358498523 /nfs/dbraw/zinc/49/85/23/358498523.db2.gz OYRJXPCAKMMISS-KBPBESRZSA-N 1 0 307.438 2.479 10 30 DEEERO C[C@@H](CNCc1cnc2ccc(C#N)cn12)C[NH+]1CCCCC1 ZINC000123378843 355804832 /nfs/dbraw/zinc/80/48/32/355804832.db2.gz XLYSHTZAEXBGCB-HNNXBMFYSA-N 1 0 311.433 2.418 10 30 DEEERO C[C@H](CNCc1cnc2ccc(C#N)cn12)C[NH+]1CCCCC1 ZINC000123379073 355805172 /nfs/dbraw/zinc/80/51/72/355805172.db2.gz XLYSHTZAEXBGCB-OAHLLOKOSA-N 1 0 311.433 2.418 10 30 DEEERO C=CCCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179214655 199000091 /nfs/dbraw/zinc/00/00/91/199000091.db2.gz STFFFQBQUFITHG-IRXDYDNUSA-N 1 0 317.433 2.324 10 30 DEEERO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000179738375 199074159 /nfs/dbraw/zinc/07/41/59/199074159.db2.gz SFMVVBWHFUVEJU-LBPRGKRZSA-N 1 0 305.378 2.498 10 30 DEEERO C=CC[C@]1(C(=O)Nc2ccc(CC(=O)OC)cc2)CCC[NH2+]1 ZINC000595924777 358582199 /nfs/dbraw/zinc/58/21/99/358582199.db2.gz OZELAHLKAWXCPD-QGZVFWFLSA-N 1 0 302.374 2.039 10 30 DEEERO CN(CC(=O)Nc1sccc1C#N)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089132691 192732224 /nfs/dbraw/zinc/73/22/24/192732224.db2.gz QMBVISATJNTGHC-YPMHNXCESA-N 1 0 306.435 2.008 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000599526871 359517870 /nfs/dbraw/zinc/51/78/70/359517870.db2.gz VIYJZJTTWHYKPU-ZDUSSCGKSA-N 1 0 315.373 2.382 10 30 DEEERO C=CCN(CCC#N)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000599614483 359542841 /nfs/dbraw/zinc/54/28/41/359542841.db2.gz SKENIWCJGAHUND-UHFFFAOYSA-N 1 0 300.362 2.102 10 30 DEEERO C=CC[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000186934033 200033490 /nfs/dbraw/zinc/03/34/90/200033490.db2.gz ZSGOCSQHGWECBY-ZWKOTPCHSA-N 1 0 316.445 2.309 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000602449443 360377659 /nfs/dbraw/zinc/37/76/59/360377659.db2.gz MNCYKDUVSRARCG-AWEZNQCLSA-N 1 0 301.346 2.157 10 30 DEEERO C=CCSCC[NH2+]Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602543603 360424796 /nfs/dbraw/zinc/42/47/96/360424796.db2.gz CWQTULJJFZGLHZ-UHFFFAOYSA-N 1 0 311.451 2.384 10 30 DEEERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC2CCC(C#N)CC2)C1 ZINC000441021588 238003012 /nfs/dbraw/zinc/00/30/12/238003012.db2.gz KTQZIIYFIHIRBR-SSHXOBKSSA-N 1 0 306.454 2.488 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc(C#N)c2)C1 ZINC000193621443 201089761 /nfs/dbraw/zinc/08/97/61/201089761.db2.gz LFNVAWAYLIBLTM-AWEZNQCLSA-N 1 0 300.406 2.051 10 30 DEEERO CC[C@H](C[NH+]1CCCC1)NC(=O)NCC1CCC(C#N)CC1 ZINC000619669484 363851305 /nfs/dbraw/zinc/85/13/05/363851305.db2.gz JWISKAXLAXFBAG-UYSNPLJNSA-N 1 0 306.454 2.490 10 30 DEEERO C=CCCO[C@@H](C)C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620915134 364199526 /nfs/dbraw/zinc/19/95/26/364199526.db2.gz COQMBUGYTOLAFW-JKSUJKDBSA-N 1 0 324.465 2.069 10 30 DEEERO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)C1 ZINC000623651027 365116363 /nfs/dbraw/zinc/11/63/63/365116363.db2.gz BHOKXKIIFBBDME-RBSFLKMASA-N 1 0 312.421 2.037 10 30 DEEERO C=CCCCC[C@@H](C)[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624117854 365294780 /nfs/dbraw/zinc/29/47/80/365294780.db2.gz XHDHQGNATUJSEC-CABCVRRESA-N 1 0 314.437 2.428 10 30 DEEERO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000624138640 365304024 /nfs/dbraw/zinc/30/40/24/365304024.db2.gz UVQPNZZKJYSQPJ-BYNSBNAKSA-N 1 0 300.468 2.181 10 30 DEEERO CC#CCCCC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000629417930 367194033 /nfs/dbraw/zinc/19/40/33/367194033.db2.gz LEPHGVGKDUARTJ-UHFFFAOYSA-N 1 0 306.450 2.283 10 30 DEEERO C=CCN(CC=C)S(=O)(=O)c1ccc(C[NH2+]CC)cc1F ZINC000092115450 193163554 /nfs/dbraw/zinc/16/35/54/193163554.db2.gz YJDABEYWYPZMTG-UHFFFAOYSA-N 1 0 312.410 2.298 10 30 DEEERO C=C1CC(C)(C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000630931873 367920408 /nfs/dbraw/zinc/92/04/08/367920408.db2.gz UPXMKULACBETOF-UHFFFAOYSA-N 1 0 301.390 2.095 10 30 DEEERO C=CCCn1cc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)nn1 ZINC000631234543 368094439 /nfs/dbraw/zinc/09/44/39/368094439.db2.gz HCOPUNPUUJEMEV-QGZVFWFLSA-N 1 0 318.396 2.077 10 30 DEEERO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000093012220 193193769 /nfs/dbraw/zinc/19/37/69/193193769.db2.gz WTMSESLZVOVICX-OAHLLOKOSA-N 1 0 305.447 2.306 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)Cc2cnc3ccc(C#N)cn23)[C@H](C)C1 ZINC000093638964 193278298 /nfs/dbraw/zinc/27/82/98/193278298.db2.gz IUFOOFLYCMMNOM-PBHICJAKSA-N 1 0 311.433 2.368 10 30 DEEERO CCN(C[C@H]1CCCO1)C(=O)c1cc(C)c(C#CC[NH3+])s1 ZINC000094536403 193378584 /nfs/dbraw/zinc/37/85/84/193378584.db2.gz KNGNYEXUOGFDHG-CYBMUJFWSA-N 1 0 306.431 2.008 10 30 DEEERO C=C(Cl)CNS(=O)(=O)c1ccc(C[NH2+]CCC)cc1 ZINC000161131349 197467476 /nfs/dbraw/zinc/46/74/76/197467476.db2.gz AHIQFBBGVUWIPU-UHFFFAOYSA-N 1 0 302.827 2.217 10 30 DEEERO CC[C@H]1CN(CC#Cc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000159926304 197373943 /nfs/dbraw/zinc/37/39/43/197373943.db2.gz VUKWSDWXJDPPCU-SFHVURJKSA-N 1 0 304.409 2.220 10 30 DEEERO Cc1ncsc1C(=O)N(C)Cc1csc(C#CC[NH3+])c1 ZINC000042365076 183258672 /nfs/dbraw/zinc/25/86/72/183258672.db2.gz GTWMXZDCZCEQJT-UHFFFAOYSA-N 1 0 305.428 2.095 10 30 DEEERO C[C@@H](N(C)S(=O)(=O)c1cccc(C#CC[NH3+])c1)C(C)(C)C ZINC000042830777 183313043 /nfs/dbraw/zinc/31/30/43/183313043.db2.gz YQOHIJGDFXDNEI-CYBMUJFWSA-N 1 0 308.447 2.052 10 30 DEEERO Cc1ccc(N2CCC[N@H+](Cc3cccc(C#N)c3)CC2)nn1 ZINC000105800922 194131117 /nfs/dbraw/zinc/13/11/17/194131117.db2.gz YTLIHHKAECCNHI-UHFFFAOYSA-N 1 0 307.401 2.369 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CCOC1)C(C)C ZINC000106533194 194226281 /nfs/dbraw/zinc/22/62/81/194226281.db2.gz YYEASBWVTNFEOE-JKSUJKDBSA-N 1 0 309.454 2.115 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000066224452 184397652 /nfs/dbraw/zinc/39/76/52/184397652.db2.gz SRWXKISAZAFBKM-UHFFFAOYSA-N 1 0 301.390 2.027 10 30 DEEERO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CC23CCOCC3)c1 ZINC000262795932 532965359 /nfs/dbraw/zinc/96/53/59/532965359.db2.gz LRHAXQAVOPWKCT-LBPRGKRZSA-N 1 0 319.405 2.247 10 30 DEEERO COc1ccc(C#CCO)cc1C[N@@H+]1CCSC(C)(C)C1 ZINC000159055938 197322591 /nfs/dbraw/zinc/32/25/91/197322591.db2.gz NGEFCAAKDYSUPK-UHFFFAOYSA-N 1 0 305.443 2.366 10 30 DEEERO C=C(C)CN(CC)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000159058137 197322367 /nfs/dbraw/zinc/32/23/67/197322367.db2.gz FOEXLJZQGMCCFD-UHFFFAOYSA-N 1 0 300.399 2.180 10 30 DEEERO CC(C)[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000158826367 197304799 /nfs/dbraw/zinc/30/47/99/197304799.db2.gz UWUDTCHYCGHPOY-MRXNPFEDSA-N 1 0 306.431 2.452 10 30 DEEERO CC#CCCN[C@@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000158417036 197270215 /nfs/dbraw/zinc/27/02/15/197270215.db2.gz GMGWSXQHXKDFPR-ZDUSSCGKSA-N 1 0 311.223 2.461 10 30 DEEERO CC[C@H]1CN(C(=O)c2cc(C)cc(C#CC[NH3+])c2)CCS1 ZINC000157983301 197233358 /nfs/dbraw/zinc/23/33/58/197233358.db2.gz VXBBMZJUJSVZII-INIZCTEOSA-N 1 0 302.443 2.273 10 30 DEEERO C[C@H](NC(=O)[C@@H]1CCCCS1)c1cccc(C#CC[NH3+])c1 ZINC000156280666 197100760 /nfs/dbraw/zinc/10/07/60/197100760.db2.gz NKPIZZIMSQPBAE-BBRMVZONSA-N 1 0 302.443 2.460 10 30 DEEERO COc1ccc(C#CC[NH3+])cc1NC(=O)[C@H]1CCCCS1 ZINC000156281262 197100794 /nfs/dbraw/zinc/10/07/94/197100794.db2.gz FJBAGELDKXOTPH-OAHLLOKOSA-N 1 0 304.415 2.230 10 30 DEEERO COCc1nc(CNC2=[NH+]C[C@H](C)N2)c(-c2ccccc2)s1 ZINC000262646724 533280639 /nfs/dbraw/zinc/28/06/39/533280639.db2.gz JHZFJVQPWJJDTH-NSHDSACASA-N 1 0 316.430 2.394 10 30 DEEERO C[C@@H]1CCCN(C(=[NH2+])NCc2cc(F)cc3c2OCOC3)C1 ZINC000261981353 533635515 /nfs/dbraw/zinc/63/55/15/533635515.db2.gz IACLVRYEYUPOQO-LLVKDONJSA-N 1 0 307.369 2.239 10 30 DEEERO C[C@@H]1CCCN(C(=[NH2+])NC[C@H](O)c2ccc(Cl)s2)C1 ZINC000262524455 533635710 /nfs/dbraw/zinc/63/57/10/533635710.db2.gz KEVITJLUHFKJFJ-ZJUUUORDSA-N 1 0 301.843 2.482 10 30 DEEERO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000362714352 133247466 /nfs/dbraw/zinc/24/74/66/133247466.db2.gz DRIYGYKYXLILMJ-JCURWCKSSA-N 1 0 322.380 2.168 10 30 DEEERO C[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)N1CCC[C@@H](C)C1 ZINC000246759992 145113409 /nfs/dbraw/zinc/11/34/09/145113409.db2.gz MWROTCXDSONHJC-HUUCEWRRSA-N 1 0 311.433 2.416 10 30 DEEERO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246898929 145118664 /nfs/dbraw/zinc/11/86/64/145118664.db2.gz VNQRTSQOCBADSN-KMFMINBZSA-N 1 0 313.401 2.386 10 30 DEEERO C=CCCC[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000076737143 401799673 /nfs/dbraw/zinc/79/96/73/401799673.db2.gz MMGCOAIXUPCNRQ-UHFFFAOYSA-N 1 0 316.449 2.018 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494479 401802296 /nfs/dbraw/zinc/80/22/96/401802296.db2.gz OSOQEWQNVBRUIW-YOEHRIQHSA-N 1 0 305.422 2.209 10 30 DEEERO C=CCc1cc(CN2CC[NH+](C3CC3)CC2)cc(OC)c1O ZINC000127904047 401755206 /nfs/dbraw/zinc/75/52/06/401755206.db2.gz VGZGGEBCABAFRB-UHFFFAOYSA-N 1 0 302.418 2.409 10 30 DEEERO CC[NH+](CC)CCN(CCC(F)(F)F)c1cnc(C#N)cn1 ZINC000128110521 401763404 /nfs/dbraw/zinc/76/34/04/401763404.db2.gz FSNHAPJWFOEIMJ-UHFFFAOYSA-N 1 0 315.343 2.449 10 30 DEEERO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000075609781 401764194 /nfs/dbraw/zinc/76/41/94/401764194.db2.gz ZGWBWIHMBHGAJV-ZIAGYGMSSA-N 1 0 303.406 2.172 10 30 DEEERO Cc1cc(C)c(C#N)c(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1 ZINC000115517481 401830543 /nfs/dbraw/zinc/83/05/43/401830543.db2.gz FALTYZGRLXUTDM-UHFFFAOYSA-N 1 0 324.432 2.016 10 30 DEEERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccc(C#N)o1 ZINC000131581967 401852946 /nfs/dbraw/zinc/85/29/46/401852946.db2.gz FWMNRUFNFVZRHZ-GFCCVEGCSA-N 1 0 308.341 2.039 10 30 DEEERO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@]12Nc3ccccc3[C@]1(O)CCO2 ZINC000103293168 402184189 /nfs/dbraw/zinc/18/41/89/402184189.db2.gz ALNKTVLUDWIWIH-JCTKKGROSA-N 1 0 312.413 2.313 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(F)cc(C#N)cc1F ZINC000154787670 402232000 /nfs/dbraw/zinc/23/20/00/402232000.db2.gz BKIRVYGJOKKXNX-ZYHUDNBSSA-N 1 0 305.328 2.145 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000176565721 402320242 /nfs/dbraw/zinc/32/02/42/402320242.db2.gz NEVSTURWRUAUPA-UHFFFAOYSA-N 1 0 310.401 2.101 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000177163650 402377348 /nfs/dbraw/zinc/37/73/48/402377348.db2.gz SCOKAHHYALJAND-BXUZGUMPSA-N 1 0 302.353 2.398 10 30 DEEERO N#Cc1cccnc1-n1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000185998493 402396252 /nfs/dbraw/zinc/39/62/52/402396252.db2.gz COMNPYCEOQNEHB-GOEBONIOSA-N 1 0 308.389 2.178 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245695665 402479943 /nfs/dbraw/zinc/47/99/43/402479943.db2.gz YDDSNHBMNDILRR-WBVHZDCISA-N 1 0 308.385 2.072 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC000187504621 402503347 /nfs/dbraw/zinc/50/33/47/402503347.db2.gz AVSOBVTVPAHINK-ZBFHGGJFSA-N 1 0 309.454 2.093 10 30 DEEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000179466189 402590651 /nfs/dbraw/zinc/59/06/51/402590651.db2.gz VIIFIQMEKYWBMX-HOCLYGCPSA-N 1 0 311.389 2.406 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000171697662 402611332 /nfs/dbraw/zinc/61/13/32/402611332.db2.gz PILBQEHHPONGCW-INIZCTEOSA-N 1 0 315.417 2.460 10 30 DEEERO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCO1 ZINC000183140140 402742246 /nfs/dbraw/zinc/74/22/46/402742246.db2.gz FPDORAPOJMMOQM-QMTHXVAHSA-N 1 0 307.781 2.307 10 30 DEEERO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000192658393 402742933 /nfs/dbraw/zinc/74/29/33/402742933.db2.gz VVMCXIJHXUJUAN-QGZVFWFLSA-N 1 0 320.396 2.348 10 30 DEEERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccnc(C#N)c2)C1 ZINC000192718699 402746369 /nfs/dbraw/zinc/74/63/69/402746369.db2.gz RLFDFYSMVFMLIY-ZIAGYGMSSA-N 1 0 300.406 2.051 10 30 DEEERO COc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000271345946 402860059 /nfs/dbraw/zinc/86/00/59/402860059.db2.gz GUOYMWOSYDEYFV-JSGCOSHPSA-N 1 0 314.389 2.267 10 30 DEEERO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000278965815 402891479 /nfs/dbraw/zinc/89/14/79/402891479.db2.gz XATYIALFCQPLSK-IEBWSBKVSA-N 1 0 316.445 2.484 10 30 DEEERO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)C1=O ZINC000281386828 403067293 /nfs/dbraw/zinc/06/72/93/403067293.db2.gz ZFCBELWIXHIWER-SWLSCSKDSA-N 1 0 304.438 2.384 10 30 DEEERO C=CCC(C)(C)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000340040729 403532960 /nfs/dbraw/zinc/53/29/60/403532960.db2.gz OIRAUBIHSAPRQW-INIZCTEOSA-N 1 0 307.482 2.217 10 30 DEEERO C=CCCCN(C)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000347052001 403612820 /nfs/dbraw/zinc/61/28/20/403612820.db2.gz UHLTVEYOOBOGOH-UHFFFAOYSA-N 1 0 310.486 2.012 10 30 DEEERO C=C(C)C[C@@H](C)c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000347159992 403619310 /nfs/dbraw/zinc/61/93/10/403619310.db2.gz OOWNOMASRPOFKJ-CYBMUJFWSA-N 1 0 320.437 2.234 10 30 DEEERO C[C@@H]1C[N@@H+](C2CCN(c3ccc(Cl)c(C#N)n3)CC2)CCO1 ZINC000301504543 403639400 /nfs/dbraw/zinc/63/94/00/403639400.db2.gz GKLBGZQPZPDHNA-GFCCVEGCSA-N 1 0 320.824 2.296 10 30 DEEERO C[C@@H]1CCC[N@@H+]1C1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000301808612 403683008 /nfs/dbraw/zinc/68/30/08/403683008.db2.gz YOZVEVZZAJZNSS-GFCCVEGCSA-N 1 0 315.377 2.315 10 30 DEEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000305052455 403812267 /nfs/dbraw/zinc/81/22/67/403812267.db2.gz DCHVYXOAVKVHNT-HZPDHXFCSA-N 1 0 317.433 2.368 10 30 DEEERO C=CCn1c(-c2cccnc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000289649875 403989846 /nfs/dbraw/zinc/98/98/46/403989846.db2.gz LOIDYHUNNGKYLY-HOCLYGCPSA-N 1 0 324.432 2.199 10 30 DEEERO C=CCn1c(-c2ccccn2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000289854552 404004275 /nfs/dbraw/zinc/00/42/75/404004275.db2.gz YCWHEHGXBFLFIZ-LSDHHAIUSA-N 1 0 324.432 2.199 10 30 DEEERO C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CCC(=O)N3)cn2)CC1 ZINC000328695581 404131821 /nfs/dbraw/zinc/13/18/21/404131821.db2.gz TWFNCOCKMQJCSA-CYBMUJFWSA-N 1 0 318.377 2.262 10 30 DEEERO O=C(CCNC(=O)C1CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000328665682 404127124 /nfs/dbraw/zinc/12/71/24/404127124.db2.gz CFILGHIUKSUTKM-HNNXBMFYSA-N 1 0 307.438 2.220 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000363735915 404219771 /nfs/dbraw/zinc/21/97/71/404219771.db2.gz LQMSZBBVJKBZCM-RDJZCZTQSA-N 1 0 315.373 2.109 10 30 DEEERO C=CCn1c(-c2ccccc2F)nnc1N1CC[NH+](CC)CC1 ZINC000290564290 404221372 /nfs/dbraw/zinc/22/13/72/404221372.db2.gz ZKBQWPHBJPMLEJ-UHFFFAOYSA-N 1 0 315.396 2.412 10 30 DEEERO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@@H]1c1ccccc1 ZINC000328881885 404167903 /nfs/dbraw/zinc/16/79/03/404167903.db2.gz LLFWDUWVHHKVBD-PVAVHDDUSA-N 1 0 317.433 2.050 10 30 DEEERO C[C@](C#N)(NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C1CC1 ZINC000328930338 404176185 /nfs/dbraw/zinc/17/61/85/404176185.db2.gz YZQNUNXHLLSPKA-DAXOMENPSA-N 1 0 304.394 2.122 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@H](CO)c2sccc2C)CC1 ZINC000352160918 404184030 /nfs/dbraw/zinc/18/40/30/404184030.db2.gz QXPPYCJAZDYTHG-CQSZACIVSA-N 1 0 323.462 2.040 10 30 DEEERO C=CCCC[C@@H](C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349903752 404253077 /nfs/dbraw/zinc/25/30/77/404253077.db2.gz AVAJHPGQOYKQBY-CQSZACIVSA-N 1 0 301.438 2.467 10 30 DEEERO C#CCOc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000296849974 404341387 /nfs/dbraw/zinc/34/13/87/404341387.db2.gz DUQNVXBERSDVGT-HOCLYGCPSA-N 1 0 300.402 2.045 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364056440 404302016 /nfs/dbraw/zinc/30/20/16/404302016.db2.gz NFGTYKIEJKPFOS-WBVHZDCISA-N 1 0 307.482 2.216 10 30 DEEERO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329713245 404431221 /nfs/dbraw/zinc/43/12/21/404431221.db2.gz RGDSLWRIVWYECT-GZBFAFLISA-N 1 0 322.453 2.214 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)[C@H](OC)c2ccc(O)cc2)CC1 ZINC000353325855 404803288 /nfs/dbraw/zinc/80/32/88/404803288.db2.gz KOTUSKCTKKIAQT-QGZVFWFLSA-N 1 0 318.417 2.236 10 30 DEEERO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CC12COC2 ZINC000451136738 404875955 /nfs/dbraw/zinc/87/59/55/404875955.db2.gz NVNJBCPJRAINAE-CJNGLKHVSA-N 1 0 314.385 2.131 10 30 DEEERO C=CCOc1ccccc1C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000435058056 404953562 /nfs/dbraw/zinc/95/35/62/404953562.db2.gz SDMSAIVGOKOXBC-MRXNPFEDSA-N 1 0 304.434 2.404 10 30 DEEERO N#Cc1ccnc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000408146988 405124115 /nfs/dbraw/zinc/12/41/15/405124115.db2.gz XZBHYSHMAHXUJA-UHFFFAOYSA-N 1 0 312.417 2.291 10 30 DEEERO C=CCN(CCc1ccccc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418752822 405194005 /nfs/dbraw/zinc/19/40/05/405194005.db2.gz UKQICLRRYCHXRC-HNNXBMFYSA-N 1 0 323.387 2.424 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000424928404 405214575 /nfs/dbraw/zinc/21/45/75/405214575.db2.gz ZAUKIRXBZCITGM-WMZOPIPTSA-N 1 0 314.429 2.142 10 30 DEEERO C=C(C)CCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000455307063 405396171 /nfs/dbraw/zinc/39/61/71/405396171.db2.gz HVIXFYKABOTHCV-UHFFFAOYSA-N 1 0 322.497 2.202 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000448678934 405435342 /nfs/dbraw/zinc/43/53/42/405435342.db2.gz ACWROYVBYBWINY-UHFFFAOYSA-N 1 0 322.412 2.423 10 30 DEEERO CC(C)[C@@H](CNC(=O)c1ccc(C#N)n1C)[NH+]1CCC(C)CC1 ZINC000448691176 405436854 /nfs/dbraw/zinc/43/68/54/405436854.db2.gz QAIAVQVFDILDEH-QGZVFWFLSA-N 1 0 316.449 2.383 10 30 DEEERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C#N)n2C)C1 ZINC000448775536 405446904 /nfs/dbraw/zinc/44/69/04/405446904.db2.gz BTRREGNYZPMEDM-CYBMUJFWSA-N 1 0 302.422 2.137 10 30 DEEERO C=CCOc1ccc(CC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000448956797 405472651 /nfs/dbraw/zinc/47/26/51/405472651.db2.gz RUBOBXSADTYYGD-SFHVURJKSA-N 1 0 314.429 2.347 10 30 DEEERO C=CC[C@]1(C(=O)NC[C@H](OC)c2cccc(OC)c2)CCC[NH2+]1 ZINC000638452681 405477622 /nfs/dbraw/zinc/47/76/22/405477622.db2.gz BHRIPISJPIOYLJ-FUHWJXTLSA-N 1 0 318.417 2.197 10 30 DEEERO C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000458591711 405502804 /nfs/dbraw/zinc/50/28/04/405502804.db2.gz SNBMHTPTYNVVJW-ZACQAIPSSA-N 1 0 317.433 2.058 10 30 DEEERO C=CCOc1ccccc1CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000449543714 405606482 /nfs/dbraw/zinc/60/64/82/405606482.db2.gz OSMVSSGWZCDQNS-IYBDPMFKSA-N 1 0 304.434 2.138 10 30 DEEERO C=CC[C@]1(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000638810987 405682606 /nfs/dbraw/zinc/68/26/06/405682606.db2.gz XKSQSEMOOAAHQW-SOLBZPMBSA-N 1 0 300.402 2.331 10 30 DEEERO C=CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000636168877 405788415 /nfs/dbraw/zinc/78/84/15/405788415.db2.gz DOWDUHUAZOIMJJ-MJGOQNOKSA-N 1 0 314.429 2.217 10 30 DEEERO C=CC[C@]1(C(=O)NCc2cccc3c2CCOC3)CCC[NH2+]1 ZINC000638990047 405802181 /nfs/dbraw/zinc/80/21/81/405802181.db2.gz UTVTYQFNJKGWSK-GOSISDBHSA-N 1 0 300.402 2.074 10 30 DEEERO C=CCC[C@H](CO)[NH2+]Cc1snc(OC)c1Br ZINC000639238328 405995672 /nfs/dbraw/zinc/99/56/72/405995672.db2.gz JVDSRFHTYCJXBS-MRVPVSSYSA-N 1 0 321.240 2.331 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000636539816 406003830 /nfs/dbraw/zinc/00/38/30/406003830.db2.gz BVOKLUADNAMFGC-OAHLLOKOSA-N 1 0 323.481 2.086 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000564445543 406064253 /nfs/dbraw/zinc/06/42/53/406064253.db2.gz AJNICRVRTPCCAN-GJZGRUSLSA-N 1 0 309.454 2.141 10 30 DEEERO C=CCCCCCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000565210091 406071345 /nfs/dbraw/zinc/07/13/45/406071345.db2.gz YWRWSTKZGYJKNR-UHFFFAOYSA-N 1 0 316.449 2.310 10 30 DEEERO C=CC[C@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000637090724 406174142 /nfs/dbraw/zinc/17/41/42/406174142.db2.gz VRNMTSOWILCIRQ-CVEARBPZSA-N 1 0 309.454 2.095 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634704042 406234511 /nfs/dbraw/zinc/23/45/11/406234511.db2.gz FFZDHQGYQXSWAH-WMZOPIPTSA-N 1 0 305.418 2.253 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000637322499 406257800 /nfs/dbraw/zinc/25/78/00/406257800.db2.gz AZGQNGZLXBBGKR-MRXNPFEDSA-N 1 0 323.481 2.485 10 30 DEEERO C=CCc1cc(CNC(=O)C2=CC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000637966573 406500330 /nfs/dbraw/zinc/50/03/30/406500330.db2.gz AGTYKPTZVPBFHQ-HNNXBMFYSA-N 1 0 316.401 2.096 10 30 DEEERO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000575141196 406789288 /nfs/dbraw/zinc/78/92/88/406789288.db2.gz NILMKGSKERUCTM-UHFFFAOYSA-N 1 0 313.405 2.399 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)[C@H]2CCc3cccc(O)c32)CC1 ZINC000576329232 406830283 /nfs/dbraw/zinc/83/02/83/406830283.db2.gz OCWQHYWOJZJGRF-HNNXBMFYSA-N 1 0 300.402 2.189 10 30 DEEERO C=C(Br)CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000131659361 196189118 /nfs/dbraw/zinc/18/91/18/196189118.db2.gz HNEHKCKJBURKAS-LBPRGKRZSA-N 1 0 322.206 2.063 10 30 DEEERO Cc1nn(C)c(C)c1CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000262020165 225264091 /nfs/dbraw/zinc/26/40/91/225264091.db2.gz XREUBFOYTAAPSN-UHFFFAOYSA-N 1 0 311.433 2.495 10 30 DEEERO CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000262271500 225267670 /nfs/dbraw/zinc/26/76/70/225267670.db2.gz GWEFHMPWYVASLC-GJZGRUSLSA-N 1 0 320.481 2.085 10 30 DEEERO Cc1[nH]c2ccc(CNC(=[NH2+])NC[C@H]3CCCO3)cc2c1C ZINC000261718279 225254246 /nfs/dbraw/zinc/25/42/46/225254246.db2.gz FKKCDDVAVPWWKR-CQSZACIVSA-N 1 0 300.406 2.368 10 30 DEEERO Cc1cc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)nc(C)n1 ZINC000261769316 225255756 /nfs/dbraw/zinc/25/57/56/225255756.db2.gz MNDQFDCCXOEISA-HNNXBMFYSA-N 1 0 311.389 2.022 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000333733349 226110232 /nfs/dbraw/zinc/11/02/32/226110232.db2.gz IBIWYYJQEHUFQZ-BPUTZDHNSA-N 1 0 304.438 2.100 10 30 DEEERO N#Cc1nc(NCC[N@@H+]2CCCOCC2)ccc1C(F)(F)F ZINC000619697794 422531969 /nfs/dbraw/zinc/53/19/69/422531969.db2.gz SGPOHWOUNGVYQZ-UHFFFAOYSA-N 1 0 314.311 2.106 10 30 DEEERO C=CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC)C2)cc1OC ZINC000194642635 424877880 /nfs/dbraw/zinc/87/78/80/424877880.db2.gz NZQIOAGLJKWQIX-HNNXBMFYSA-N 1 0 318.417 2.474 10 30 DEEERO Cc1nsc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1C#N ZINC000333815677 267703805 /nfs/dbraw/zinc/70/38/05/267703805.db2.gz HWHFOTOGIIBCCK-AAEUAGOBSA-N 1 0 319.434 2.414 10 30 DEEERO CN1C(=O)C[C@@H](CNC(=[NH2+])NC2CCCC2)[C@@H]1c1ccccc1 ZINC000262378599 273863495 /nfs/dbraw/zinc/86/34/95/273863495.db2.gz NJKLJSRVVCPWRL-YOEHRIQHSA-N 1 0 314.433 2.053 10 30 DEEERO N#Cc1cc(Br)ccc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261557667 274918925 /nfs/dbraw/zinc/91/89/25/274918925.db2.gz CTAHHEAABRYBPC-CMPLNLGQSA-N 1 0 306.207 2.366 10 30 DEEERO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C(F)(F)F)cc3C#N)C[C@H]21 ZINC000301686332 277124558 /nfs/dbraw/zinc/12/45/58/277124558.db2.gz XBJVDAJIPZSIIM-ZIAGYGMSSA-N 1 0 311.307 2.096 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418363064 277888199 /nfs/dbraw/zinc/88/81/99/277888199.db2.gz VQCLLIRLBIPVSP-HZPDHXFCSA-N 1 0 305.422 2.046 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000177179039 279302270 /nfs/dbraw/zinc/30/22/70/279302270.db2.gz JDEQYBLUPMDWBL-SJORKVTESA-N 1 0 315.417 2.188 10 30 DEEERO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000330037795 295381127 /nfs/dbraw/zinc/38/11/27/295381127.db2.gz ZKWKSMSUUSKMJC-DJIMGWMZSA-N 1 0 315.417 2.257 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1ccncc1C#N ZINC000576773290 326318384 /nfs/dbraw/zinc/31/83/84/326318384.db2.gz GAXZMNYHHOFWPM-KBXCAEBGSA-N 1 0 324.432 2.206 10 30 DEEERO C=CCCCCCNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000583332869 331482579 /nfs/dbraw/zinc/48/25/79/331482579.db2.gz XNGOMEZQCDJVND-UHFFFAOYSA-N 1 0 303.406 2.207 10 30 DEEERO C=CCCCCCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000584300657 332228508 /nfs/dbraw/zinc/22/85/08/332228508.db2.gz XHNHKJHCXLHFKI-HNNXBMFYSA-N 1 0 311.470 2.219 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000570165827 332720041 /nfs/dbraw/zinc/72/00/41/332720041.db2.gz NWFBXORBGYCBPB-JONQDZQNSA-N 1 0 309.454 2.282 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CO)[C@@H](C)CCC)CC1 ZINC000518777888 333162096 /nfs/dbraw/zinc/16/20/96/333162096.db2.gz BLSIWKUTQCGLLA-HOCLYGCPSA-N 1 0 311.470 2.123 10 30 DEEERO C=CCC(CC=C)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000163065658 334917924 /nfs/dbraw/zinc/91/79/24/334917924.db2.gz KSOGSORXSXELGB-HNNXBMFYSA-N 1 0 308.466 2.306 10 30 DEEERO C#CCCOc1ccc(CNC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000113327011 336400633 /nfs/dbraw/zinc/40/06/33/336400633.db2.gz PYCTUIKNEXENLX-GOSISDBHSA-N 1 0 316.445 2.025 10 30 DEEERO C=CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)cc1 ZINC000434782353 338225519 /nfs/dbraw/zinc/22/55/19/338225519.db2.gz FUHNLGXGUCEYRI-UHFFFAOYSA-N 1 0 302.418 2.206 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2OC)C1=O ZINC000528668196 340728816 /nfs/dbraw/zinc/72/88/16/340728816.db2.gz DYTMHIGUOFSMLE-WFASDCNBSA-N 1 0 304.390 2.141 10 30 DEEERO C[C@H](O)C[N@@H+]1CCN(CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000246508164 341351547 /nfs/dbraw/zinc/35/15/47/341351547.db2.gz ZRHUPAAXDWVANL-GJZGRUSLSA-N 1 0 306.837 2.078 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCOC[C@H]1C)C(C)C ZINC000248842307 341388280 /nfs/dbraw/zinc/38/82/80/341388280.db2.gz RIPFZEMKXWPNEQ-IXDOHACOSA-N 1 0 308.466 2.474 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CCO1 ZINC000262815822 534271850 /nfs/dbraw/zinc/27/18/50/534271850.db2.gz OYJSKKMODMRWFO-GIPNMCIBSA-N 1 0 311.788 2.370 10 30 DEEERO C=CCn1c(N2CCC[N@@H+](CC)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453433047 534442650 /nfs/dbraw/zinc/44/26/50/534442650.db2.gz CGTZYAMZRWFEEK-QGZVFWFLSA-N 1 0 319.453 2.022 10 30 DEEERO NC(=O)c1coc(CNC(=[NH2+])Nc2cccc3c2CCCC3)c1 ZINC000262485268 534513163 /nfs/dbraw/zinc/51/31/63/534513163.db2.gz UNAKQCFEQIDURF-UHFFFAOYSA-N 1 0 312.373 2.184 10 30 DEEERO N#CC1CCC(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000441003906 534580994 /nfs/dbraw/zinc/58/09/94/534580994.db2.gz WKBKBMVMUBZGAL-NRXISQOPSA-N 1 0 304.438 2.100 10 30 DEEERO N#CCSCCC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189743593 534706330 /nfs/dbraw/zinc/70/63/30/534706330.db2.gz HZASVPVBEPCUDD-UHFFFAOYSA-N 1 0 305.451 2.056 10 30 DEEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)N[C@@H]1CC1(C)C ZINC000262430914 526376550 /nfs/dbraw/zinc/37/65/50/526376550.db2.gz DXEKGVJOVUSHJK-WCBMZHEXSA-N 1 0 301.843 2.398 10 30 DEEERO C=CCNC(N[C@@H]1CCN(c2ncccc2Cl)C1)=[NH+]CC ZINC000261999666 526386682 /nfs/dbraw/zinc/38/66/82/526386682.db2.gz UAWFXJSRJFTLIA-GFCCVEGCSA-N 1 0 307.829 2.055 10 30 DEEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N1CCN(c2cc(F)ccc2F)CC1 ZINC000261820705 526394661 /nfs/dbraw/zinc/39/46/61/526394661.db2.gz UJMIRUNVYXYQRA-BXUZGUMPSA-N 1 0 308.376 2.071 10 30 DEEERO C=C(C)Cn1c(COCC)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000338806739 526730396 /nfs/dbraw/zinc/73/03/96/526730396.db2.gz HXSVBYKMBWMMSF-HNNXBMFYSA-N 1 0 319.453 2.065 10 30 DEEERO C=CCOc1ccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1 ZINC000418115877 526873358 /nfs/dbraw/zinc/87/33/58/526873358.db2.gz QADXKOAXFXTMLA-HZPDHXFCSA-N 1 0 304.434 2.138 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000344516124 526950986 /nfs/dbraw/zinc/95/09/86/526950986.db2.gz ONOHRQAYXCYXLF-BMFZPTHFSA-N 1 0 300.402 2.350 10 30 DEEERO C=CCCC[C@@H](C)[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000340893316 527248798 /nfs/dbraw/zinc/24/87/98/527248798.db2.gz KQAFROWZZZGQRM-CQSZACIVSA-N 1 0 302.422 2.047 10 30 DEEERO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000358011066 527249508 /nfs/dbraw/zinc/24/95/08/527249508.db2.gz ASHPKUAXBUDCTB-KGLIPLIRSA-N 1 0 306.410 2.446 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515663 527612399 /nfs/dbraw/zinc/61/23/99/527612399.db2.gz FGQPFLVMGYZLCB-INIZCTEOSA-N 1 0 314.433 2.016 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246545148 527635088 /nfs/dbraw/zinc/63/50/88/527635088.db2.gz GPGXHEHYRNBTEP-DOTOQJQBSA-N 1 0 315.417 2.124 10 30 DEEERO CC[NH+]=C(NC1CCC1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000261698510 528802641 /nfs/dbraw/zinc/80/26/41/528802641.db2.gz DRDAWZPSVIZVFT-NSHDSACASA-N 1 0 306.376 2.073 10 30 DEEERO COc1cc(C#N)ccc1OCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246971633 536883678 /nfs/dbraw/zinc/88/36/78/536883678.db2.gz LCKJFKJLHQJQCE-ZBFHGGJFSA-N 1 0 315.417 2.114 10 30 DEEERO Cc1ccc2c(CCNC(=[NH2+])N3CCSCC3)cn(C)c2c1 ZINC000187144785 625418273 /nfs/dbraw/zinc/41/82/73/625418273.db2.gz ZMLCEAUELHQOOD-UHFFFAOYSA-N 1 0 316.474 2.393 10 30 DEEERO N#CCOc1ccc(Cl)cc1CSc1nc(N)cc(N)[nH+]1 ZINC000735230766 633488541 /nfs/dbraw/zinc/48/85/41/633488541.db2.gz IMZMVOXOPMAZFI-UHFFFAOYSA-N 1 0 321.793 2.489 10 30 DEEERO CCC(=O)N1CCCC[C@@H]1C(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000121453898 650117119 /nfs/dbraw/zinc/11/71/19/650117119.db2.gz PRUJZSCDKIGACP-JKSUJKDBSA-N 1 0 322.449 2.054 10 30 DEEERO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746721215 638372324 /nfs/dbraw/zinc/37/23/24/638372324.db2.gz JKLVGTFJROBMQS-CYBMUJFWSA-N 1 0 318.421 2.096 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@@H]1[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]1[C@H]3C2 ZINC000320693219 639527071 /nfs/dbraw/zinc/52/70/71/639527071.db2.gz WTQWRAQTVHPYBV-KLOLGFOXSA-N 1 0 322.449 2.157 10 30 DEEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000151323978 646335531 /nfs/dbraw/zinc/33/55/31/646335531.db2.gz LFHVCFLPFBIYDY-GOSISDBHSA-N 1 0 323.400 2.195 10 30 DEEERO C=CCn1c(=S)n(CN2CC[N@@H+]3CCC[C@@H]3C2)nc1C1CC1 ZINC000172503856 646740275 /nfs/dbraw/zinc/74/02/75/646740275.db2.gz HMLGAYAEDZXTGU-CQSZACIVSA-N 1 0 319.478 2.215 10 30 DEEERO C#CCOc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000731113746 647448189 /nfs/dbraw/zinc/44/81/89/647448189.db2.gz PFLMPDJXOXOREZ-UHFFFAOYSA-N 1 0 301.390 2.257 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1CCC(C(=O)OC)CC1 ZINC000181259450 648594627 /nfs/dbraw/zinc/59/46/27/648594627.db2.gz MHIWLPQYHUUJOL-QQFBHYJXSA-N 1 0 323.433 2.243 10 30 DEEERO CCOc1cccnc1C(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000091700028 684038163 /nfs/dbraw/zinc/03/81/63/684038163.db2.gz HBLAYBLDWXMABQ-AWEZNQCLSA-N 1 0 304.390 2.371 10 30 DEEERO COc1ccc(NC(=[NH2+])NCc2cccc(C)n2)cc1OC ZINC000104170988 684058514 /nfs/dbraw/zinc/05/85/14/684058514.db2.gz CIFDZZBNJAPREH-UHFFFAOYSA-N 1 0 300.362 2.334 10 30 DEEERO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(C2CC2)CC1 ZINC000124783179 684138652 /nfs/dbraw/zinc/13/86/52/684138652.db2.gz ASUKNQNFZJKRBQ-UHFFFAOYSA-N 1 0 324.384 2.171 10 30 DEEERO CC[C@@H]1COCCN1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131188891 684197449 /nfs/dbraw/zinc/19/74/49/684197449.db2.gz WTCJVKXIIAIRGD-MRXNPFEDSA-N 1 0 311.389 2.194 10 30 DEEERO CN(C)c1cccc(CNC(=[NH2+])NCCc2cccs2)c1 ZINC000303783070 685234146 /nfs/dbraw/zinc/23/41/46/685234146.db2.gz NWAKMAAFUXOBNM-UHFFFAOYSA-N 1 0 302.447 2.461 10 30 DEEERO CC[C@H](C)c1ccc(NC(=O)C[N+]23CCN(CC2)CC3)cc1 ZINC000007613222 717105994 /nfs/dbraw/zinc/10/59/94/717105994.db2.gz AGOPRYHVPSOGBV-HNNXBMFYSA-O 1 0 302.442 2.285 10 30 DEEERO CC#CC[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000717726503 799429218 /nfs/dbraw/zinc/42/92/18/799429218.db2.gz BVINBMXLJZCBJL-VGWMRTNUSA-N 1 0 322.449 2.138 10 30 DEEERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000721933734 1084508273 /nfs/dbraw/zinc/50/82/73/1084508273.db2.gz LMEWJBOFMZMYFU-BXUZGUMPSA-N 1 0 305.378 2.496 10 30 DEEERO C[C@@]12CN(c3ccc(C#N)nn3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702258331 1086416906 /nfs/dbraw/zinc/41/69/06/1086416906.db2.gz RACLTAXPDIKDOJ-QFBILLFUSA-N 1 0 319.412 2.307 10 30 DEEERO C#CCC[C@H](O)C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000717848990 1091324223 /nfs/dbraw/zinc/32/42/23/1091324223.db2.gz DWJPZNGUGTUAHH-GJZGRUSLSA-N 1 0 312.454 2.147 10 30 DEEERO C=CCN(CC)S(=O)(=O)c1ccc(F)c(C[NH2+]C2CC2)c1 ZINC000162572970 197576026 /nfs/dbraw/zinc/57/60/26/197576026.db2.gz KKMZQYHZJPVSNF-UHFFFAOYSA-N 1 0 312.410 2.274 10 30 DEEERO COc1cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c1F ZINC000090420307 185295401 /nfs/dbraw/zinc/29/54/01/185295401.db2.gz WBFXCBRLSVFNAB-UHFFFAOYSA-N 1 0 307.369 2.142 10 30 DEEERO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000613800129 362213481 /nfs/dbraw/zinc/21/34/81/362213481.db2.gz UQCLNSKZOLSYDZ-KRWDZBQOSA-N 1 0 317.433 2.200 10 30 DEEERO CC(C)[N@H+](CCC(=O)N(C)CCC#N)CCc1nccs1 ZINC000092807452 185342282 /nfs/dbraw/zinc/34/22/82/185342282.db2.gz QUTIVXVCNAGORC-UHFFFAOYSA-N 1 0 308.451 2.158 10 30 DEEERO CN(CC#Cc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000192003692 529823415 /nfs/dbraw/zinc/82/34/15/529823415.db2.gz XTKMIISCRYVULT-UHFFFAOYSA-N 1 0 322.456 2.331 10 30 DEEERO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000625702165 365875494 /nfs/dbraw/zinc/87/54/94/365875494.db2.gz UIVPTHAMZZOZGT-CYBMUJFWSA-N 1 0 302.374 2.294 10 30 DEEERO Cc1cc(C(=O)NN2[C@H](C)CCC[C@@H]2C)sc1C#CC[NH3+] ZINC000149882764 186053453 /nfs/dbraw/zinc/05/34/53/186053453.db2.gz ZUWKGMFXCRTZEI-BETUJISGSA-N 1 0 305.447 2.274 10 30 DEEERO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)N1CCOCC1 ZINC000181871128 186212871 /nfs/dbraw/zinc/21/28/71/186212871.db2.gz VMEGQCAXXGZILU-WMLDXEAASA-N 1 0 315.417 2.092 10 30 DEEERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cccc(C#N)c2)CC1 ZINC000171922313 198008464 /nfs/dbraw/zinc/00/84/64/198008464.db2.gz XYHVRFZNYIKGHK-IBGZPJMESA-N 1 0 312.461 2.160 10 30 DEEERO CNC(=O)[C@]1(C)CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000330279921 539936749 /nfs/dbraw/zinc/93/67/49/539936749.db2.gz RTJFEADOBBYSNP-RHSMWYFYSA-N 1 0 324.469 2.319 10 30 DEEERO C=C[C@](C)(CC)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617704045 363228242 /nfs/dbraw/zinc/22/82/42/363228242.db2.gz URBMMYYDEHULAN-PKOBYXMFSA-N 1 0 316.445 2.472 10 30 DEEERO N#Cc1cc(Br)ccc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261557668 283086907 /nfs/dbraw/zinc/08/69/07/283086907.db2.gz CTAHHEAABRYBPC-JQWIXIFHSA-N 1 0 306.207 2.366 10 30 DEEERO C=CCCCN(C)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000077108188 355183275 /nfs/dbraw/zinc/18/32/75/355183275.db2.gz VJPFZSIVAWMPOX-UHFFFAOYSA-N 1 0 315.461 2.472 10 30 DEEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC(C(=O)OC)CC1 ZINC000595602368 358497672 /nfs/dbraw/zinc/49/76/72/358497672.db2.gz IJPBPKLLADJOGK-HOCLYGCPSA-N 1 0 322.449 2.123 10 30 DEEERO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183488758 356174034 /nfs/dbraw/zinc/17/40/34/356174034.db2.gz NHPPIUXKRIRIJH-HNNXBMFYSA-N 1 0 315.417 2.105 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2cc(C#N)ccc2OC)C[C@H]1C ZINC000246476419 356313952 /nfs/dbraw/zinc/31/39/52/356313952.db2.gz QISRHWZEGXYESL-OAHLLOKOSA-N 1 0 317.433 2.109 10 30 DEEERO C=CCN(CC=C)S(=O)(=O)c1ccsc1C[NH2+]C1CC1 ZINC000088904535 192649874 /nfs/dbraw/zinc/64/98/74/192649874.db2.gz BEKWRUHSZAEMKH-UHFFFAOYSA-N 1 0 312.460 2.363 10 30 DEEERO C=C[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000179371719 199023544 /nfs/dbraw/zinc/02/35/44/199023544.db2.gz ODPKNLAAEAYZPD-WMZOPIPTSA-N 1 0 316.445 2.309 10 30 DEEERO C=CCOc1cccc(CN2CC[NH+]([C@@H](CC)CO)CC2)c1 ZINC000179996647 199105130 /nfs/dbraw/zinc/10/51/30/199105130.db2.gz QMKQTSOSYQYSTA-KRWDZBQOSA-N 1 0 304.434 2.140 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000626975590 366387362 /nfs/dbraw/zinc/38/73/62/366387362.db2.gz ZZSZWZVHGRTBSN-LSDHHAIUSA-N 1 0 303.406 2.191 10 30 DEEERO C=CCOCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595079861 358387500 /nfs/dbraw/zinc/38/75/00/358387500.db2.gz ZWPOEWPOSOBRNS-UONOGXRCSA-N 1 0 308.382 2.457 10 30 DEEERO C=CCOCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595079859 358387548 /nfs/dbraw/zinc/38/75/48/358387548.db2.gz ZWPOEWPOSOBRNS-KBPBESRZSA-N 1 0 308.382 2.457 10 30 DEEERO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(=O)NCc1ccccc1 ZINC000595845304 358562949 /nfs/dbraw/zinc/56/29/49/358562949.db2.gz KWZYBCJQDWJLMZ-IYBDPMFKSA-N 1 0 313.401 2.195 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000598982948 359375795 /nfs/dbraw/zinc/37/57/95/359375795.db2.gz USZWPFXVFJIHNN-ZFWWWQNUSA-N 1 0 306.406 2.489 10 30 DEEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncc(Br)cc1C#N)C2 ZINC000600955769 359871058 /nfs/dbraw/zinc/87/10/58/359871058.db2.gz HTUKSZYTKBDHTC-OKILXGFUSA-N 1 0 321.222 2.152 10 30 DEEERO C=C(C)C[C@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C(=O)OC ZINC000601786971 360149460 /nfs/dbraw/zinc/14/94/60/360149460.db2.gz VPAPMKZKDLPXEM-AWEZNQCLSA-N 1 0 322.405 2.359 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(I)s1 ZINC000602613112 360458091 /nfs/dbraw/zinc/45/80/91/360458091.db2.gz OZIZWNQRMDXKMY-QMMMGPOBSA-N 1 0 323.199 2.379 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)C(C)(C)O)C(C)C ZINC000606641497 361027589 /nfs/dbraw/zinc/02/75/89/361027589.db2.gz DOPRIRZZLSYPFW-CABCVRRESA-N 1 0 311.470 2.144 10 30 DEEERO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C#N)cc1F ZINC000609253231 361291399 /nfs/dbraw/zinc/29/13/99/361291399.db2.gz UJJSTCRVYYPDJW-GFCCVEGCSA-N 1 0 306.385 2.227 10 30 DEEERO N#Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)ccn1 ZINC000195097253 201338017 /nfs/dbraw/zinc/33/80/17/201338017.db2.gz CUHSBFPDRVEKBZ-UHFFFAOYSA-N 1 0 320.396 2.479 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000247065768 202641147 /nfs/dbraw/zinc/64/11/47/202641147.db2.gz HJULUWFPVMEMQM-YOEHRIQHSA-N 1 0 312.417 2.055 10 30 DEEERO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624117857 365294970 /nfs/dbraw/zinc/29/49/70/365294970.db2.gz XHDHQGNATUJSEC-LSDHHAIUSA-N 1 0 314.437 2.428 10 30 DEEERO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000624138642 365303678 /nfs/dbraw/zinc/30/36/78/365303678.db2.gz UVQPNZZKJYSQPJ-KBUPBQIOSA-N 1 0 300.468 2.181 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000624464493 365430362 /nfs/dbraw/zinc/43/03/62/365430362.db2.gz BAQMZITWFBISOF-JKSUJKDBSA-N 1 0 323.481 2.266 10 30 DEEERO CC1CCC([NH+]2CCN(C(=O)c3ccc(C#N)n3C)CC2)CC1 ZINC000449868688 241190872 /nfs/dbraw/zinc/19/08/72/241190872.db2.gz FPLOWCPVQYXMDM-UHFFFAOYSA-N 1 0 314.433 2.233 10 30 DEEERO C=C1CC(C)(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000630871810 367890364 /nfs/dbraw/zinc/89/03/64/367890364.db2.gz RJRMJCQFTUZTEC-IAGOWNOFSA-N 1 0 319.493 2.360 10 30 DEEERO N#Cc1ccc2ncc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)n2c1 ZINC000093585444 193269916 /nfs/dbraw/zinc/26/99/16/193269916.db2.gz ZMFFFBSNQINWBN-QAPCUYQASA-N 1 0 310.401 2.333 10 30 DEEERO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000093685950 193289110 /nfs/dbraw/zinc/28/91/10/193289110.db2.gz WMRCQISZMFHAIK-SNVBAGLBSA-N 1 0 321.427 2.118 10 30 DEEERO OCCC#Cc1csc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000094440999 193369502 /nfs/dbraw/zinc/36/95/02/193369502.db2.gz OVVMECSXHQXFQZ-MRXNPFEDSA-N 1 0 304.459 2.152 10 30 DEEERO CC[C@@H]1CN(CC#Cc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000159926160 197373363 /nfs/dbraw/zinc/37/33/63/197373363.db2.gz VUKWSDWXJDPPCU-GOSISDBHSA-N 1 0 304.409 2.220 10 30 DEEERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C[C@@H](C)C#N)c1 ZINC000042461383 183273110 /nfs/dbraw/zinc/27/31/10/183273110.db2.gz XSYJMJOMNAFZRQ-STQMWFEESA-N 1 0 309.435 2.137 10 30 DEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)c1cc(Cl)cn1C ZINC000042364742 183259104 /nfs/dbraw/zinc/25/91/04/183259104.db2.gz KCOBJOFAUYQNOM-UHFFFAOYSA-N 1 0 321.833 2.322 10 30 DEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)c1cccc(O)c1 ZINC000042365028 183259296 /nfs/dbraw/zinc/25/92/96/183259296.db2.gz LYTPIEGTHCBARH-UHFFFAOYSA-N 1 0 300.383 2.036 10 30 DEEERO CCN(Cc1cc(C#CC[NH3+])ccc1OC)CC(F)(F)F ZINC000042780007 183308379 /nfs/dbraw/zinc/30/83/79/183308379.db2.gz XQDMEMDGFNOISJ-UHFFFAOYSA-N 1 0 300.324 2.390 10 30 DEEERO CC[C@H]([NH3+])[C@H](N(CCC#N)Cc1cccnc1)C(F)(F)F ZINC000043376730 183357365 /nfs/dbraw/zinc/35/73/65/183357365.db2.gz RJDLZJUUXPRAQF-STQMWFEESA-N 1 0 300.328 2.465 10 30 DEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000120222137 195122319 /nfs/dbraw/zinc/12/23/19/195122319.db2.gz RESAVWDUYZPPHT-GOEBONIOSA-N 1 0 317.433 2.418 10 30 DEEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2cccs2)c1 ZINC000158815892 197303234 /nfs/dbraw/zinc/30/32/34/197303234.db2.gz YQCXSGHBXIXENJ-UHFFFAOYSA-N 1 0 306.412 2.183 10 30 DEEERO CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2C#CCO)CCS1 ZINC000158025529 197237254 /nfs/dbraw/zinc/23/72/54/197237254.db2.gz UPQSCKNNULPXBC-QGZVFWFLSA-N 1 0 305.443 2.366 10 30 DEEERO CC[C@@H]1CN(C(=O)c2cc(C)c(C#CC[NH3+])s2)CCS1 ZINC000157977469 197232394 /nfs/dbraw/zinc/23/23/94/197232394.db2.gz JGROTVDMOVCRTG-GFCCVEGCSA-N 1 0 308.472 2.334 10 30 DEEERO N#Cc1cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)ccc1F ZINC000120741042 195228729 /nfs/dbraw/zinc/22/87/29/195228729.db2.gz UPFRLLVGRIBVCH-KRWDZBQOSA-N 1 0 317.408 2.384 10 30 DEEERO C=CCC[C@H](C[N@@H+]1CCCOCC1)Oc1ccc(C#N)cn1 ZINC000072447910 256545899 /nfs/dbraw/zinc/54/58/99/256545899.db2.gz SAKPFEWDAUYZPL-MRXNPFEDSA-N 1 0 301.390 2.389 10 30 DEEERO Cc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C)c(C#CC[NH3+])c1 ZINC000123396948 195576898 /nfs/dbraw/zinc/57/68/98/195576898.db2.gz USZPWBRXNKOZHG-CYBMUJFWSA-N 1 0 308.447 2.018 10 30 DEEERO Cn1cc(C[NH2+]CC2(CCO)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000189991902 145036921 /nfs/dbraw/zinc/03/69/21/145036921.db2.gz GAWQTIBITBJOMC-UHFFFAOYSA-N 1 0 310.401 2.211 10 30 DEEERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccnc(C#N)c1 ZINC000249158906 145180444 /nfs/dbraw/zinc/18/04/44/145180444.db2.gz YAJCNPIZGYSICH-KBXCAEBGSA-N 1 0 320.396 2.204 10 30 DEEERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@@H]1C ZINC000251617869 145194734 /nfs/dbraw/zinc/19/47/34/145194734.db2.gz GKWFUWFJKRESQU-XJKSGUPXSA-N 1 0 301.390 2.244 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000126677622 401703950 /nfs/dbraw/zinc/70/39/50/401703950.db2.gz UAOFUBPDSXQFOP-VXGBXAGGSA-N 1 0 307.369 2.185 10 30 DEEERO C=CCC[C@@H](C[N@@H+]1CCCOCC1)Oc1ccc(C#N)cn1 ZINC000072447909 401709837 /nfs/dbraw/zinc/70/98/37/401709837.db2.gz SAKPFEWDAUYZPL-INIZCTEOSA-N 1 0 301.390 2.389 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000076736525 401799381 /nfs/dbraw/zinc/79/93/81/401799381.db2.gz SXJPCMLKYKWDHX-UHFFFAOYSA-N 1 0 319.424 2.372 10 30 DEEERO C=CCCCN(C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000076978184 401802075 /nfs/dbraw/zinc/80/20/75/401802075.db2.gz KMJFVNIHBAOMKU-HNNXBMFYSA-N 1 0 309.454 2.095 10 30 DEEERO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)C[C@@H](C)O1 ZINC000092506613 402005405 /nfs/dbraw/zinc/00/54/05/402005405.db2.gz YBXNHTSQPHUTKC-KFWWJZLASA-N 1 0 303.406 2.225 10 30 DEEERO COc1ccc(OCC[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000123197424 402115310 /nfs/dbraw/zinc/11/53/10/402115310.db2.gz YWBZMSWMZHJNCG-UHFFFAOYSA-N 1 0 322.368 2.383 10 30 DEEERO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000124762249 402196007 /nfs/dbraw/zinc/19/60/07/402196007.db2.gz RCUXGRNBASZYND-UHFFFAOYSA-N 1 0 315.826 2.007 10 30 DEEERO C#CCOc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000177034037 402361279 /nfs/dbraw/zinc/36/12/79/402361279.db2.gz QQRLHJYWZOIZRM-MRXNPFEDSA-N 1 0 300.402 2.255 10 30 DEEERO C=CC[C@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000185811333 402378986 /nfs/dbraw/zinc/37/89/86/402378986.db2.gz MVNDLAIUNHMNSV-IAGOWNOFSA-N 1 0 302.418 2.094 10 30 DEEERO Cc1cc(C#N)ccc1S(=O)(=O)NCC1([NH3+])CCCCCC1 ZINC000237575416 402413907 /nfs/dbraw/zinc/41/39/07/402413907.db2.gz UITKDFFBQHMDHD-UHFFFAOYSA-N 1 0 321.446 2.197 10 30 DEEERO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171081740 402555874 /nfs/dbraw/zinc/55/58/74/402555874.db2.gz RYFLVACTGAJEJR-CYBMUJFWSA-N 1 0 302.378 2.125 10 30 DEEERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000248756879 402607725 /nfs/dbraw/zinc/60/77/25/402607725.db2.gz HQXZUFPGWCDMDB-PTEHBNRSSA-N 1 0 307.419 2.182 10 30 DEEERO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347668 402651220 /nfs/dbraw/zinc/65/12/20/402651220.db2.gz FKVIATSVFDJFHY-CQSZACIVSA-N 1 0 312.417 2.055 10 30 DEEERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC[C@H]1C ZINC000252039950 402652974 /nfs/dbraw/zinc/65/29/74/402652974.db2.gz ZHXQHWRHHVLJIY-RBSFLKMASA-N 1 0 307.438 2.074 10 30 DEEERO C#CCC[NH+]1CCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000261380835 402713161 /nfs/dbraw/zinc/71/31/61/402713161.db2.gz KVCYFYXTWOVATA-UHFFFAOYSA-N 1 0 300.793 2.429 10 30 DEEERO N#Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)ccn1 ZINC000192454878 402729769 /nfs/dbraw/zinc/72/97/69/402729769.db2.gz ISQDBAWRZCLAOC-UHFFFAOYSA-N 1 0 320.396 2.301 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000183009002 402732424 /nfs/dbraw/zinc/73/24/24/402732424.db2.gz UVCHZGCDTQRXFG-DTWKUNHWSA-N 1 0 315.826 2.452 10 30 DEEERO C#CCOc1ccc(C[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000174518864 402745329 /nfs/dbraw/zinc/74/53/29/402745329.db2.gz UJNZSOSRDAPMQQ-KRWDZBQOSA-N 1 0 324.428 2.191 10 30 DEEERO Cc1ccc([C@H](CNC(=O)c2ccnc(C#N)c2)[NH+](C)C)cc1 ZINC000192961368 402758837 /nfs/dbraw/zinc/75/88/37/402758837.db2.gz OSEMTOIRURRNMD-KRWDZBQOSA-N 1 0 308.385 2.294 10 30 DEEERO N#Cc1cccc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)c1 ZINC000184253236 402830945 /nfs/dbraw/zinc/83/09/45/402830945.db2.gz YTRKLFVKUCHHCS-QGZVFWFLSA-N 1 0 306.369 2.238 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1OC ZINC000184278790 402832523 /nfs/dbraw/zinc/83/25/23/402832523.db2.gz UDVOIVWINWCTBO-GFCCVEGCSA-N 1 0 300.196 2.484 10 30 DEEERO COc1ccc(C#N)cc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000271345952 402860239 /nfs/dbraw/zinc/86/02/39/402860239.db2.gz GUOYMWOSYDEYFV-TZMCWYRMSA-N 1 0 314.389 2.267 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000273507366 403010841 /nfs/dbraw/zinc/01/08/41/403010841.db2.gz QIPMGGLLMZBDMT-LLVKDONJSA-N 1 0 310.760 2.086 10 30 DEEERO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000293811523 403569698 /nfs/dbraw/zinc/56/96/98/403569698.db2.gz OFDZTQLGBADJRZ-MRXNPFEDSA-N 1 0 316.376 2.002 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)Cc2ccc(C)nc2Cl)CC1 ZINC000287794966 403667785 /nfs/dbraw/zinc/66/77/85/403667785.db2.gz ZNTUZPPSLDXJQQ-UHFFFAOYSA-N 1 0 307.825 2.353 10 30 DEEERO C[C@H]1[C@@H]([NH3+])CCN1c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000333486645 403764229 /nfs/dbraw/zinc/76/42/29/403764229.db2.gz CUCLWEXIPZWSNV-LRDDRELGSA-N 1 0 309.417 2.410 10 30 DEEERO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000347746102 403841290 /nfs/dbraw/zinc/84/12/90/403841290.db2.gz DUBPYUISXCKLPK-BHYGNILZSA-N 1 0 317.433 2.058 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000362238261 403938226 /nfs/dbraw/zinc/93/82/26/403938226.db2.gz VWOHROOXQRHGOW-CRAIPNDOSA-N 1 0 308.466 2.354 10 30 DEEERO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[NH+](CC)CC1 ZINC000290094664 404037627 /nfs/dbraw/zinc/03/76/27/404037627.db2.gz DQDUELDISAERLN-UHFFFAOYSA-N 1 0 315.421 2.483 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C ZINC000328609548 404114062 /nfs/dbraw/zinc/11/40/62/404114062.db2.gz MWIYTTANUGTXTJ-BFHYXJOUSA-N 1 0 310.442 2.118 10 30 DEEERO C=CCOCC(=O)N1CCN(Cc2ccc(CC)s2)CC1 ZINC000349194257 404134590 /nfs/dbraw/zinc/13/45/90/404134590.db2.gz CVFIJDUBLLQTLV-UHFFFAOYSA-N 1 0 308.447 2.157 10 30 DEEERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328667925 404127081 /nfs/dbraw/zinc/12/70/81/404127081.db2.gz LETOHHBAGAMJNH-HUUCEWRRSA-N 1 0 324.469 2.258 10 30 DEEERO CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCNC1=O ZINC000328899901 404170090 /nfs/dbraw/zinc/17/00/90/404170090.db2.gz ZFNZMGNRIPUBLW-HNNXBMFYSA-N 1 0 322.453 2.358 10 30 DEEERO Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCCCO2)CCC[N@@H+]1C ZINC000328988401 404191911 /nfs/dbraw/zinc/19/19/11/404191911.db2.gz CKZHXQZEVCYRRH-NUEKZKHPSA-N 1 0 320.437 2.329 10 30 DEEERO C=C[C@@](C)(O)CC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000356051167 404387660 /nfs/dbraw/zinc/38/76/60/404387660.db2.gz JZUWEFSHQQTTOI-RHSMWYFYSA-N 1 0 304.390 2.337 10 30 DEEERO CC[C@H]1CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000330211249 404588277 /nfs/dbraw/zinc/58/82/77/404588277.db2.gz IZOBPXJRJIPGEE-OFQRWUPVSA-N 1 0 319.453 2.201 10 30 DEEERO O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCn2ccnc2C1 ZINC000330047370 404537573 /nfs/dbraw/zinc/53/75/73/404537573.db2.gz HQBHQFLVSZAJFX-NFOMZHRRSA-N 1 0 302.422 2.419 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC000356792014 404693823 /nfs/dbraw/zinc/69/38/23/404693823.db2.gz KJANRKUNFOHSLV-INIZCTEOSA-N 1 0 323.481 2.182 10 30 DEEERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000357162486 404729553 /nfs/dbraw/zinc/72/95/53/404729553.db2.gz HZIGBYCJXNQZLG-HNNXBMFYSA-N 1 0 306.454 2.442 10 30 DEEERO C#CCOc1ccccc1C[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000366251178 404779843 /nfs/dbraw/zinc/77/98/43/404779843.db2.gz OLVKCBJKJOPBBH-HKUYNNGSSA-N 1 0 315.413 2.469 10 30 DEEERO Cc1ccc(C(=O)N2CCN[C@H](c3cccnc3)C2)cc1C#N ZINC000367105715 404932628 /nfs/dbraw/zinc/93/26/28/404932628.db2.gz GJGWDZCIJGSXND-KRWDZBQOSA-N 1 0 306.369 2.048 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(Br)c(C)nn1C ZINC000424176185 405030740 /nfs/dbraw/zinc/03/07/40/405030740.db2.gz RBULEGFTKGXOKC-JQWIXIFHSA-N 1 0 314.227 2.172 10 30 DEEERO N#Cc1cnccc1NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000367429099 405046278 /nfs/dbraw/zinc/04/62/78/405046278.db2.gz FGWMETPUMHBSIF-QGZVFWFLSA-N 1 0 324.453 2.405 10 30 DEEERO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408347947 405179898 /nfs/dbraw/zinc/17/98/98/405179898.db2.gz COGYVXOFDGKFHV-CYGHRXIMSA-N 1 0 321.465 2.056 10 30 DEEERO Cc1ccc2ncc(C#N)c(N3CCC[N@@H+]([C@@H](C)CO)CC3)c2c1 ZINC000368180690 405231077 /nfs/dbraw/zinc/23/10/77/405231077.db2.gz RVKMWJRJNHSZBE-HNNXBMFYSA-N 1 0 324.428 2.308 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000425428682 405288929 /nfs/dbraw/zinc/28/89/29/405288929.db2.gz WRMKQTDNBJKELE-YVSFHVDLSA-N 1 0 323.481 2.245 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000425860553 405324856 /nfs/dbraw/zinc/32/48/56/405324856.db2.gz UBSQLDQGKHYATQ-XHSDSOJGSA-N 1 0 309.454 2.093 10 30 DEEERO C[C@H](CNC(=O)c1ccc(C#N)n1C)[N@@H+]1CCc2ccccc2C1 ZINC000448668599 405434101 /nfs/dbraw/zinc/43/41/01/405434101.db2.gz PAXBVSFJAQWRHL-CQSZACIVSA-N 1 0 322.412 2.073 10 30 DEEERO C=CC[C@]1(C(=O)N[C@H]2COc3cccc(C)c3C2)CCC[NH2+]1 ZINC000638472994 405492683 /nfs/dbraw/zinc/49/26/83/405492683.db2.gz HNRANLNJZXCNNP-RDTXWAMCSA-N 1 0 300.402 2.113 10 30 DEEERO C=CCOc1ccc(C[N@@H+](C[C@@H](O)CO)C(C)C)cc1Cl ZINC000421407303 405494202 /nfs/dbraw/zinc/49/42/02/405494202.db2.gz IYIVWYBQVOYSAB-CQSZACIVSA-N 1 0 313.825 2.468 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](CO)c1sccc1C ZINC000494665844 405742317 /nfs/dbraw/zinc/74/23/17/405742317.db2.gz JXTLPTBOPZFRIE-ZIAGYGMSSA-N 1 0 308.447 2.269 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2cc(C(=O)NCC)sc2C)CCC[NH2+]1 ZINC000638994594 405806365 /nfs/dbraw/zinc/80/63/65/405806365.db2.gz OSXHENXDSSGVPQ-INIZCTEOSA-N 1 0 321.446 2.443 10 30 DEEERO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(c3ccccc3)C2)C1=O ZINC000639132461 405910636 /nfs/dbraw/zinc/91/06/36/405910636.db2.gz OPTLKJSSISYXPN-WMZOPIPTSA-N 1 0 313.445 2.232 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000515038119 406056438 /nfs/dbraw/zinc/05/64/38/406056438.db2.gz LRZCJSWHPYQXCQ-YPMHNXCESA-N 1 0 321.446 2.284 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000636716900 406061110 /nfs/dbraw/zinc/06/11/10/406061110.db2.gz UZWJCWRZPXWHMG-OAHLLOKOSA-N 1 0 323.481 2.086 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000632384449 406115663 /nfs/dbraw/zinc/11/56/63/406115663.db2.gz GMINZOCHMCYPHG-HNNXBMFYSA-N 1 0 323.481 2.038 10 30 DEEERO C=CCC[C@H](CO)NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000637367116 406279719 /nfs/dbraw/zinc/27/97/19/406279719.db2.gz IOJCDFUEVCFRKB-GDBMZVCRSA-N 1 0 309.454 2.020 10 30 DEEERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000547716155 406436091 /nfs/dbraw/zinc/43/60/91/406436091.db2.gz AYEUYIHYTDXEEP-GUYCJALGSA-N 1 0 309.413 2.189 10 30 DEEERO C=CCOCCCNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638415407 406758599 /nfs/dbraw/zinc/75/85/99/406758599.db2.gz MVISZKJCJCYYCM-CYBMUJFWSA-N 1 0 316.323 2.414 10 30 DEEERO N#Cc1ccc(Cl)cc1N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC000130851077 196115594 /nfs/dbraw/zinc/11/55/94/196115594.db2.gz YOPGPTQFPIQMHT-HNNXBMFYSA-N 1 0 304.825 2.213 10 30 DEEERO C=CCN(C(C)C)S(=O)(=O)c1cc(C[NH2+]C)n(CCC)c1 ZINC000132305353 196243184 /nfs/dbraw/zinc/24/31/84/196243184.db2.gz FOGFAKUWVTXHHK-UHFFFAOYSA-N 1 0 313.467 2.203 10 30 DEEERO C[C@@]1(C(=O)Nc2ccc(Br)cc2C#N)CCC[NH2+]1 ZINC000132438863 196256186 /nfs/dbraw/zinc/25/61/86/196256186.db2.gz PIPQYBHUDDGVGF-ZDUSSCGKSA-N 1 0 308.179 2.401 10 30 DEEERO N#Cc1cc(Br)ccc1Nc1cc(NN)[nH+]cn1 ZINC000132774026 196282493 /nfs/dbraw/zinc/28/24/93/196282493.db2.gz RKNOAUPULJFUAP-UHFFFAOYSA-N 1 0 305.139 2.140 10 30 DEEERO C=C(C)CN(C)S(=O)(=O)c1ccc(CC[NH2+]C(C)C)s1 ZINC000135327601 196464953 /nfs/dbraw/zinc/46/49/53/196464953.db2.gz BJHBWJMBNFGVRY-UHFFFAOYSA-N 1 0 316.492 2.485 10 30 DEEERO [NH2+]=C(NCc1cc(F)c(F)cc1Br)NC1CC1 ZINC000262128042 225265702 /nfs/dbraw/zinc/26/57/02/225265702.db2.gz NKMCTHGNGXFSJQ-UHFFFAOYSA-N 1 0 304.138 2.294 10 30 DEEERO COc1cccc(C(F)(F)CNC(=[NH2+])NC2CCCCC2)n1 ZINC000262688780 225282008 /nfs/dbraw/zinc/28/20/08/225282008.db2.gz ZPPFJZZJLNBJOD-UHFFFAOYSA-N 1 0 312.364 2.419 10 30 DEEERO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000262855854 225286788 /nfs/dbraw/zinc/28/67/88/225286788.db2.gz YBHXABPPTLWSFS-GUTXKFCHSA-N 1 0 317.389 2.142 10 30 DEEERO [NH2+]=C(NCc1cc(Cl)ccc1N1CCOCC1)NC1CCC1 ZINC000263045926 225290227 /nfs/dbraw/zinc/29/02/27/225290227.db2.gz CXEONWIPCJCVDQ-UHFFFAOYSA-N 1 0 322.840 2.133 10 30 DEEERO N#CC1CCC(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000372998175 227101663 /nfs/dbraw/zinc/10/16/63/227101663.db2.gz DVUZOODJXULDIQ-QDIHITRGSA-N 1 0 304.438 2.242 10 30 DEEERO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000075609786 276339635 /nfs/dbraw/zinc/33/96/35/276339635.db2.gz ZGWBWIHMBHGAJV-KGLIPLIRSA-N 1 0 303.406 2.172 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H]1CCCCC[C@H]1C(=O)OC ZINC000295465766 276890481 /nfs/dbraw/zinc/89/04/81/276890481.db2.gz FTNYVNHATDYOBR-OAGGEKHMSA-N 1 0 322.449 2.287 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000185265864 337203818 /nfs/dbraw/zinc/20/38/18/337203818.db2.gz HDTXOYRWWYAXJG-INIZCTEOSA-N 1 0 307.482 2.075 10 30 DEEERO N#CCSCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000192730695 340569308 /nfs/dbraw/zinc/56/93/08/340569308.db2.gz PEQXXAUBQMIICO-UHFFFAOYSA-N 1 0 303.431 2.155 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000546642513 341176774 /nfs/dbraw/zinc/17/67/74/341176774.db2.gz RCDZALXWOKGWPG-AWEZNQCLSA-N 1 0 312.454 2.321 10 30 DEEERO C[NH+]1CCC(C#N)(NC(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000548388721 341258281 /nfs/dbraw/zinc/25/82/81/341258281.db2.gz HJTRFKYXMBATDK-UHFFFAOYSA-N 1 0 309.772 2.126 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCCn2ccc3cc(Cl)ccc32)CCO1 ZINC000262625747 533786974 /nfs/dbraw/zinc/78/69/74/533786974.db2.gz DIRSCSZWBHZQHH-LBPRGKRZSA-N 1 0 320.824 2.330 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCc2sccc2Br)CCO1 ZINC000262437211 533788209 /nfs/dbraw/zinc/78/82/09/533788209.db2.gz GPTALLBBJATUGN-QMMMGPOBSA-N 1 0 318.240 2.046 10 30 DEEERO Cn1nc2c(c1CNC(=[NH2+])NC1CCCCCC1)CCCC2 ZINC000262651866 534827364 /nfs/dbraw/zinc/82/73/64/534827364.db2.gz JSSBFJDNOPHJAI-UHFFFAOYSA-N 1 0 303.454 2.426 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000299335617 526343213 /nfs/dbraw/zinc/34/32/13/526343213.db2.gz RNVLVBIDPTZMGL-KRWDZBQOSA-N 1 0 312.417 2.350 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261838487 526346285 /nfs/dbraw/zinc/34/62/85/526346285.db2.gz KQSISWSFQYUKQG-AWEZNQCLSA-N 1 0 317.389 2.499 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC1(C[NH3+])CC1 ZINC000423107240 526346491 /nfs/dbraw/zinc/34/64/91/526346491.db2.gz DWRUVCVUBBGQRX-UHFFFAOYSA-N 1 0 303.362 2.238 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)[NH2+]CC ZINC000418594907 526348874 /nfs/dbraw/zinc/34/88/74/526348874.db2.gz VIBGPJUNHVAWLR-CYBMUJFWSA-N 1 0 320.393 2.290 10 30 DEEERO C[NH+]=C(NCCOc1ncccc1F)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261833548 526361931 /nfs/dbraw/zinc/36/19/31/526361931.db2.gz VQHYYUNBHVWQQM-KBPBESRZSA-N 1 0 320.412 2.297 10 30 DEEERO C=C(C)CNC(=[NH2+])NCc1cc(Br)cc2c1OCC2 ZINC000262703395 526575009 /nfs/dbraw/zinc/57/50/09/526575009.db2.gz ZSIPYMLYUNTCSY-UHFFFAOYSA-N 1 0 324.222 2.364 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000373038292 526675119 /nfs/dbraw/zinc/67/51/19/526675119.db2.gz SRFGJQXUWPEZLI-LJQANCHMSA-N 1 0 308.425 2.430 10 30 DEEERO C#CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000372203525 526713663 /nfs/dbraw/zinc/71/36/63/526713663.db2.gz CGNSTSXNMAEMMT-JKSUJKDBSA-N 1 0 303.381 2.284 10 30 DEEERO C=C(C)Cn1c(CC2CC2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000359248342 526728012 /nfs/dbraw/zinc/72/80/12/526728012.db2.gz BNUAAPPBFYCBCA-GOEBONIOSA-N 1 0 315.465 2.480 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000373878793 526774846 /nfs/dbraw/zinc/77/48/46/526774846.db2.gz RPNHRZVICBUOKM-ZCRFILTFSA-N 1 0 321.465 2.282 10 30 DEEERO Cc1oc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C#N)c1C ZINC000246356615 526776737 /nfs/dbraw/zinc/77/67/37/526776737.db2.gz MXVPFTCSCUHYNP-SMDDNHRTSA-N 1 0 318.421 2.121 10 30 DEEERO C#CCO[C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000294792528 527081379 /nfs/dbraw/zinc/08/13/79/527081379.db2.gz SUHDZQGSJRPRIR-SJLPKXTDSA-N 1 0 314.429 2.196 10 30 DEEERO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000341877639 527083215 /nfs/dbraw/zinc/08/32/15/527083215.db2.gz MCCNGNQZZVVYEE-GXTWGEPZSA-N 1 0 306.406 2.489 10 30 DEEERO C#CCSCCNC(N[C@@H]1CCc2ccccc2C1)=[NH+]C ZINC000262698321 527135482 /nfs/dbraw/zinc/13/54/82/527135482.db2.gz YEZUUEULRGCRTM-MRXNPFEDSA-N 1 0 301.459 2.075 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000296686440 527172466 /nfs/dbraw/zinc/17/24/66/527172466.db2.gz SVRXSKSBROHQTF-SOLBZPMBSA-N 1 0 313.445 2.355 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000182976662 527197700 /nfs/dbraw/zinc/19/77/00/527197700.db2.gz HZSFHFJEGSLXGB-QGZVFWFLSA-N 1 0 319.449 2.265 10 30 DEEERO C=CCCCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000448032989 527220557 /nfs/dbraw/zinc/22/05/57/527220557.db2.gz XXRMKKMOBMFILI-UHFFFAOYSA-N 1 0 322.497 2.202 10 30 DEEERO C=CCCCS(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000293041212 527245389 /nfs/dbraw/zinc/24/53/89/527245389.db2.gz QBPFACCBDPSMKF-INIZCTEOSA-N 1 0 310.463 2.045 10 30 DEEERO CCO[C@@H]1C[C@H](NC(NC[C@@H]2CCC[C@@H]2O)=[NH+]C)C12CCCC2 ZINC000262820139 527905782 /nfs/dbraw/zinc/90/57/82/527905782.db2.gz XXSUFBRIBHIVFC-YHUYYLMFSA-N 1 0 323.481 2.050 10 30 DEEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192355198 527931619 /nfs/dbraw/zinc/93/16/19/527931619.db2.gz CHZKAECEJFOYSB-QAPCUYQASA-N 1 0 315.417 2.414 10 30 DEEERO CC[NH+]=C(NCC(C)(C)OC)N[C@@H]1CCOc2ccccc21 ZINC000262336821 528802173 /nfs/dbraw/zinc/80/21/73/528802173.db2.gz BXFHLRKNSZWUIV-CQSZACIVSA-N 1 0 305.422 2.490 10 30 DEEERO CC[NH+]=C(NCCc1noc(CC)n1)N1C[C@H](C)C[C@@H](C)C1 ZINC000262790549 528807760 /nfs/dbraw/zinc/80/77/60/528807760.db2.gz RQLRXBZGRSNJPM-CHWSQXEVSA-N 1 0 307.442 2.118 10 30 DEEERO CCS[C@@H]1CCC[C@H](NC(NC[C@@H]2CCC[C@H]2O)=[NH+]C)C1 ZINC000262811281 529215229 /nfs/dbraw/zinc/21/52/29/529215229.db2.gz VDLXLRABKHFENV-BYNSBNAKSA-N 1 0 313.511 2.377 10 30 DEEERO CC[C@H]1CN(Cc2ccc(C#N)c(F)c2)CC[N@@H+]1CCOC ZINC000192001753 536153402 /nfs/dbraw/zinc/15/34/02/536153402.db2.gz SCONEITUPBMHEU-INIZCTEOSA-N 1 0 305.397 2.240 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000121435209 649978363 /nfs/dbraw/zinc/97/83/63/649978363.db2.gz WQORTXAOCLEANV-ZDUSSCGKSA-N 1 0 304.346 2.485 10 30 DEEERO C#CCOCCC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000165789205 624152367 /nfs/dbraw/zinc/15/23/67/624152367.db2.gz QPNBBOOMCVKJHK-UHFFFAOYSA-N 1 0 315.413 2.482 10 30 DEEERO N#CCOc1cc(F)ccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178151781 625136614 /nfs/dbraw/zinc/13/66/14/625136614.db2.gz OQOSDJGPDHYLQD-CYBMUJFWSA-N 1 0 318.352 2.040 10 30 DEEERO COc1ccccc1CNC(=[NH2+])NCc1cc(F)ccc1OC ZINC000186865276 636577228 /nfs/dbraw/zinc/57/72/28/636577228.db2.gz KROZVSSMYKKICK-UHFFFAOYSA-N 1 0 317.364 2.447 10 30 DEEERO [NH2+]=C(NCc1ccsc1Br)NC[C@@H]1CCCO1 ZINC000261864278 636637043 /nfs/dbraw/zinc/63/70/43/636637043.db2.gz SMNVKGRDQDRVCX-VIFPVBQESA-N 1 0 318.240 2.094 10 30 DEEERO C#CC[NH+]1CCC(C(=O)Nc2cccc(C(=O)OC)c2C)CC1 ZINC000742275912 638056951 /nfs/dbraw/zinc/05/69/51/638056951.db2.gz SHQDBYCWNCEOIB-UHFFFAOYSA-N 1 0 314.385 2.065 10 30 DEEERO CC(C)(C)[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000742403275 638068151 /nfs/dbraw/zinc/06/81/51/638068151.db2.gz RTVUPGBVRPQUDO-INIZCTEOSA-N 1 0 305.397 2.226 10 30 DEEERO C[NH+]=C(NCc1cnc(N(C)C)n1C)NC1CCC(C)(C)CC1 ZINC000088240334 641292350 /nfs/dbraw/zinc/29/23/50/641292350.db2.gz VGNCISHGXVVQOK-UHFFFAOYSA-N 1 0 320.485 2.120 10 30 DEEERO C#CCC(CC#C)C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000807272932 645933978 /nfs/dbraw/zinc/93/39/78/645933978.db2.gz KFUVGEHNEHWBER-UHFFFAOYSA-N 1 0 300.446 2.444 10 30 DEEERO CN(CCCNC(=[NH2+])NC1CCCCC1)C(=O)OC(C)(C)C ZINC000170905491 646674701 /nfs/dbraw/zinc/67/47/01/646674701.db2.gz SXHGPNLJBHHULX-UHFFFAOYSA-N 1 0 312.458 2.480 10 30 DEEERO C#C[C@@H](OC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000180097657 648458510 /nfs/dbraw/zinc/45/85/10/648458510.db2.gz QYWLIVNDTZUXLL-GOSISDBHSA-N 1 0 312.413 2.397 10 30 DEEERO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(OCC#N)cc1 ZINC000181904483 648783582 /nfs/dbraw/zinc/78/35/82/648783582.db2.gz AYUAXVJYRTUJAI-RHSMWYFYSA-N 1 0 304.390 2.029 10 30 DEEERO CC(C)CCNC(=[NH2+])NCCc1csc(N2CCCC2)n1 ZINC000304765355 685260929 /nfs/dbraw/zinc/26/09/29/685260929.db2.gz ZEYDYZXKXLEFKF-UHFFFAOYSA-N 1 0 309.483 2.236 10 30 DEEERO Cn1nccc1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000104171972 684058407 /nfs/dbraw/zinc/05/84/07/684058407.db2.gz SJQXLPIARVWKAO-UHFFFAOYSA-N 1 0 313.283 2.246 10 30 DEEERO C#CCOc1ccccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000188063151 684348351 /nfs/dbraw/zinc/34/83/51/684348351.db2.gz XQTYQBZEXTWWEX-UHFFFAOYSA-N 1 0 301.390 2.257 10 30 DEEERO CN(C)[C@@H](CNC(=[NH2+])NCCc1cccs1)c1ccco1 ZINC000303788869 685235361 /nfs/dbraw/zinc/23/53/61/685235361.db2.gz UVQWBAGOQPNOJO-ZDUSSCGKSA-N 1 0 306.435 2.091 10 30 DEEERO COC(=O)c1ccc(CCNC(=[NH2+])NC2CCCCC2)cc1 ZINC000303787810 685235618 /nfs/dbraw/zinc/23/56/18/685235618.db2.gz SVXOBQYVYVFZEX-UHFFFAOYSA-N 1 0 303.406 2.253 10 30 DEEERO [NH2+]=C(NCc1ccccc1N1CCOCC1)NC1CCCCC1 ZINC000303904579 685240021 /nfs/dbraw/zinc/24/00/21/685240021.db2.gz UZLKTGBHHBOLCR-UHFFFAOYSA-N 1 0 316.449 2.260 10 30 DEEERO [NH2+]=C(NCCNC(=O)CC1CCCCC1)NC1CCCCC1 ZINC000303984260 685241976 /nfs/dbraw/zinc/24/19/76/685241976.db2.gz RXYUAGMCBZAFGX-UHFFFAOYSA-N 1 0 308.470 2.310 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000716827170 793008414 /nfs/dbraw/zinc/00/84/14/793008414.db2.gz DSADHDHUWANFKT-SOUVJXGZSA-N 1 0 310.438 2.260 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405258668 802046213 /nfs/dbraw/zinc/04/62/13/802046213.db2.gz MBJHPPIOQHRBPM-MGPQQGTHSA-N 1 0 310.438 2.349 10 30 DEEERO C[C@@]12CN(c3cnc(C#N)cn3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702297104 1086420310 /nfs/dbraw/zinc/42/03/10/1086420310.db2.gz AYOTVTKUPBANQB-QFBILLFUSA-N 1 0 319.412 2.307 10 30 DEEERO C#CCC[C@H](O)C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000717886738 1091355662 /nfs/dbraw/zinc/35/56/62/1091355662.db2.gz JLAIKENPQZSFPI-MJBXVCDLSA-N 1 0 310.438 2.042 10 30 DEEERO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(C#N)o2)cn1 ZINC000328637821 231275299 /nfs/dbraw/zinc/27/52/99/231275299.db2.gz OWBOSAHKXDTXGC-JKSUJKDBSA-N 1 0 300.362 2.378 10 30 DEEERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000090540944 185301926 /nfs/dbraw/zinc/30/19/26/185301926.db2.gz PQKUVSKXJDGSTB-JSGCOSHPSA-N 1 0 307.781 2.165 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1sccc1C#CCCO ZINC000092665425 185332332 /nfs/dbraw/zinc/33/23/32/185332332.db2.gz CGECFZBSZLTQQX-INIZCTEOSA-N 1 0 306.475 2.398 10 30 DEEERO C=CCCOCCCCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000615269431 362572775 /nfs/dbraw/zinc/57/27/75/362572775.db2.gz LEVQNAIVSZRDOI-DLBZAZTESA-N 1 0 324.465 2.071 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2OC)C1 ZINC000625704061 365876781 /nfs/dbraw/zinc/87/67/81/365876781.db2.gz RRHNZNHMXOKNRK-NVXWUHKLSA-N 1 0 305.418 2.471 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000625702364 365877316 /nfs/dbraw/zinc/87/73/16/365877316.db2.gz XWLOQUGRVREZLT-CQSZACIVSA-N 1 0 309.431 2.367 10 30 DEEERO C=CC[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000625702896 365877582 /nfs/dbraw/zinc/87/75/82/365877582.db2.gz JQQPDQUHMVSQEI-CQSZACIVSA-N 1 0 324.446 2.462 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1OC ZINC000159608353 186130680 /nfs/dbraw/zinc/13/06/80/186130680.db2.gz BKAHOIZMTJNPAT-HIFRSBDPSA-N 1 0 318.417 2.346 10 30 DEEERO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](c3ccc(OC)c(F)c3)C2)C1=O ZINC000626126357 366063768 /nfs/dbraw/zinc/06/37/68/366063768.db2.gz MTIAXLVRNAELCC-ZBFHGGJFSA-N 1 0 318.392 2.411 10 30 DEEERO CC1CC[NH+](C[C@H](O)CNC(=O)C2CCSCC2)CC1 ZINC000329611974 539924592 /nfs/dbraw/zinc/92/45/92/539924592.db2.gz CJBDOYDATIUEBE-CQSZACIVSA-N 1 0 300.468 2.179 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617703114 363227649 /nfs/dbraw/zinc/22/76/49/363227649.db2.gz BOPYJAUDUQUYFU-YJBOKZPZSA-N 1 0 316.445 2.472 10 30 DEEERO C=CCOc1ccccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000093817652 355688726 /nfs/dbraw/zinc/68/87/26/355688726.db2.gz VODRPHIQZAYQNG-QGZVFWFLSA-N 1 0 316.445 2.406 10 30 DEEERO C=CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000182126770 356110880 /nfs/dbraw/zinc/11/08/80/356110880.db2.gz AXYNUOMTZWXDTQ-SJORKVTESA-N 1 0 315.417 2.458 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000081570638 192292910 /nfs/dbraw/zinc/29/29/10/192292910.db2.gz UAZAWDWZCTTXBL-SFHVURJKSA-N 1 0 322.412 2.464 10 30 DEEERO N#Cc1cn(O)c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2[n+]1=O ZINC000377578552 356667372 /nfs/dbraw/zinc/66/73/72/356667372.db2.gz YJKYMSIKGSVWNQ-UHFFFAOYSA-N 1 0 309.261 2.240 10 30 DEEERO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626893755 366353061 /nfs/dbraw/zinc/35/30/61/366353061.db2.gz QXKUSJSQFLCTQO-DZGCQCFKSA-N 1 0 315.417 2.000 10 30 DEEERO N#Cc1cnc2ccccc2c1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000174686424 283243503 /nfs/dbraw/zinc/24/35/03/283243503.db2.gz FDUNNLNXUADXFB-OAHLLOKOSA-N 1 0 310.401 2.365 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CC)c1csc(C)c1 ZINC000592188385 357848155 /nfs/dbraw/zinc/84/81/55/357848155.db2.gz OKZRMRVZYTTXHS-WCQYABFASA-N 1 0 309.435 2.498 10 30 DEEERO COCCN(Cc1ccccc1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594425937 358266081 /nfs/dbraw/zinc/26/60/81/358266081.db2.gz NDEWDSOAMGFHIV-MRXNPFEDSA-N 1 0 303.406 2.073 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597166349 358841804 /nfs/dbraw/zinc/84/18/04/358841804.db2.gz BXTSKJDJJWOKCV-UHFFFAOYSA-N 1 0 305.328 2.217 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000599064782 359393542 /nfs/dbraw/zinc/39/35/42/359393542.db2.gz IIBCOXHMMJRJBL-CQSZACIVSA-N 1 0 311.495 2.421 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599526440 359516354 /nfs/dbraw/zinc/51/63/54/359516354.db2.gz LLTHQKGEKSRVHU-CYBMUJFWSA-N 1 0 303.362 2.456 10 30 DEEERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2sccc2C#N)C1 ZINC000187897095 200172996 /nfs/dbraw/zinc/17/29/96/200172996.db2.gz IVDMPHSGFVSBCE-NHYWBVRUSA-N 1 0 307.419 2.041 10 30 DEEERO C[C@@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000187900613 200173180 /nfs/dbraw/zinc/17/31/80/200173180.db2.gz IMETZTOGHTZGBP-RDTXWAMCSA-N 1 0 315.417 2.370 10 30 DEEERO C#CCOc1ccccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000188109161 200195150 /nfs/dbraw/zinc/19/51/50/200195150.db2.gz MPEXCLGFBNSTDA-HUUCEWRRSA-N 1 0 313.401 2.399 10 30 DEEERO N#Cc1cc(Br)cnc1N1CCCCC[C@H]([NH3+])C1 ZINC000600958948 359871824 /nfs/dbraw/zinc/87/18/24/359871824.db2.gz NGKDDBXQFAPHBL-LBPRGKRZSA-N 1 0 309.211 2.423 10 30 DEEERO C=CCOCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000628088087 366716139 /nfs/dbraw/zinc/71/61/39/366716139.db2.gz UJKKSUDANGKHSE-SJORKVTESA-N 1 0 302.418 2.041 10 30 DEEERO C[C@H](CO)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619295455 363758611 /nfs/dbraw/zinc/75/86/11/363758611.db2.gz HUZOTJKHZMRYMG-BBRMVZONSA-N 1 0 307.825 2.151 10 30 DEEERO C=C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)OC ZINC000619700115 363858330 /nfs/dbraw/zinc/85/83/30/363858330.db2.gz XNBWHOBCZNPBQC-QGZVFWFLSA-N 1 0 302.418 2.490 10 30 DEEERO C=CCCO[C@H](C)C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620915131 364200341 /nfs/dbraw/zinc/20/03/41/364200341.db2.gz COQMBUGYTOLAFW-CVEARBPZSA-N 1 0 324.465 2.069 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)cc1 ZINC000623839864 365194571 /nfs/dbraw/zinc/19/45/71/365194571.db2.gz GKPDVSBPVGUZHF-KRWDZBQOSA-N 1 0 300.402 2.494 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)CN(C)CC(C)(C)C[NH3+] ZINC000093873959 193322046 /nfs/dbraw/zinc/32/20/46/193322046.db2.gz KUJWFYOJTFGKPP-UHFFFAOYSA-N 1 0 309.479 2.179 10 30 DEEERO C[C@@H](Cc1cccs1)NC(=O)c1csc(C#CC[NH3+])c1 ZINC000093976462 193332694 /nfs/dbraw/zinc/33/26/94/193332694.db2.gz KPBIRHUMKFNNPE-NSHDSACASA-N 1 0 304.440 2.481 10 30 DEEERO CC(C)(C)S(=O)(=O)Nc1ccc(Cl)c(C#CC[NH3+])c1 ZINC000094671819 193391923 /nfs/dbraw/zinc/39/19/23/193391923.db2.gz NDOZUJYWMULTAC-UHFFFAOYSA-N 1 0 300.811 2.190 10 30 DEEERO Cc1cc(C(=O)Nc2cnn(C(C)C)c2)sc1C#CC[NH3+] ZINC000094536760 193378020 /nfs/dbraw/zinc/37/80/20/193378020.db2.gz BKSJRRWBLDOJSW-UHFFFAOYSA-N 1 0 302.403 2.396 10 30 DEEERO C#CCNC(=O)CC[NH2+][C@H](C)c1ccccc1Br ZINC000264844699 204203441 /nfs/dbraw/zinc/20/34/41/204203441.db2.gz HVRVUFGOXUZDPC-LLVKDONJSA-N 1 0 309.207 2.239 10 30 DEEERO N#CCCNC(=O)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000020049387 182183494 /nfs/dbraw/zinc/18/34/94/182183494.db2.gz RJJQTHTVLWYYKW-UHFFFAOYSA-N 1 0 300.189 2.155 10 30 DEEERO C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000458591708 248389632 /nfs/dbraw/zinc/38/96/32/248389632.db2.gz SNBMHTPTYNVVJW-BRWVUGGUSA-N 1 0 317.433 2.058 10 30 DEEERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC(C#N)CC1 ZINC000105170029 194080833 /nfs/dbraw/zinc/08/08/33/194080833.db2.gz JYWTZOXIXYOPFN-KRWDZBQOSA-N 1 0 314.433 2.104 10 30 DEEERO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802802 194132919 /nfs/dbraw/zinc/13/29/19/194132919.db2.gz BTZLYPXGROOKKS-QGZVFWFLSA-N 1 0 307.401 2.449 10 30 DEEERO CC(C)(C)[NH2+]Cc1ccc(OCC(=O)NCC#N)c(Cl)c1 ZINC000062730268 184251361 /nfs/dbraw/zinc/25/13/61/184251361.db2.gz YSDGSSOANQBDCQ-UHFFFAOYSA-N 1 0 309.797 2.247 10 30 DEEERO COCC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C#N ZINC000062730190 184251466 /nfs/dbraw/zinc/25/14/66/184251466.db2.gz GHNJPNLHEBMZRA-SNVBAGLBSA-N 1 0 313.195 2.476 10 30 DEEERO C[C@@H]([NH3+])[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000063195476 184277991 /nfs/dbraw/zinc/27/79/91/184277991.db2.gz PUSGLKJIDOJHRB-YPMHNXCESA-N 1 0 306.435 2.150 10 30 DEEERO C=C(C)COc1cccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000066214116 184397041 /nfs/dbraw/zinc/39/70/41/184397041.db2.gz OQUJTKULGZBLJY-INIZCTEOSA-N 1 0 304.390 2.349 10 30 DEEERO C=CCn1c(COCC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000350792353 404471005 /nfs/dbraw/zinc/47/10/05/404471005.db2.gz LQZAQZNPKNOSLC-HUUCEWRRSA-N 1 0 321.469 2.167 10 30 DEEERO C=C[C@](C)(C[NH2+]C(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000158830718 197304954 /nfs/dbraw/zinc/30/49/54/197304954.db2.gz VQBWMEMKWOKBIM-GJZGRUSLSA-N 1 0 302.484 2.238 10 30 DEEERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000157875436 197222738 /nfs/dbraw/zinc/22/27/38/197222738.db2.gz WRJDVJZZVRLZGC-BBRMVZONSA-N 1 0 300.406 2.086 10 30 DEEERO [NH3+]CC#Cc1ccc(F)cc1C(=O)NC[C@@H]1CCCCS1 ZINC000156565359 197123442 /nfs/dbraw/zinc/12/34/42/197123442.db2.gz POOYZPWLPZKFQZ-AWEZNQCLSA-N 1 0 306.406 2.151 10 30 DEEERO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000155320855 197043018 /nfs/dbraw/zinc/04/30/18/197043018.db2.gz YBGNVWKCFHZBRU-IJEWVQPXSA-N 1 0 300.402 2.011 10 30 DEEERO CC(C)n1cc(C[NH2+][C@H]2CCCN(c3ccccc3C#N)C2)nn1 ZINC000377339852 133326874 /nfs/dbraw/zinc/32/68/74/133326874.db2.gz OOJXOQKCWCQZHL-INIZCTEOSA-N 1 0 324.432 2.489 10 30 DEEERO N#Cc1ccc(C2(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CC2)cc1 ZINC000189553583 145029613 /nfs/dbraw/zinc/02/96/13/145029613.db2.gz GIXQCIRTNYELJM-QGZVFWFLSA-N 1 0 309.413 2.287 10 30 DEEERO Cn1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)cc1C#N ZINC000191505986 145059714 /nfs/dbraw/zinc/05/97/14/145059714.db2.gz RDSVNHOXIRVJFZ-SFHVURJKSA-N 1 0 322.412 2.178 10 30 DEEERO CN(CCC[NH+](C)C)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000552140642 285945707 /nfs/dbraw/zinc/94/57/07/285945707.db2.gz QLTVKTLQYSLSGO-UHFFFAOYSA-N 1 0 305.397 2.385 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000111886159 401726952 /nfs/dbraw/zinc/72/69/52/401726952.db2.gz VGABRCQCGUARQM-OAHLLOKOSA-N 1 0 303.406 2.097 10 30 DEEERO C[N@H+]1[C@@H]2CC[C@H]1CC(=NOC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000000135876 401688448 /nfs/dbraw/zinc/68/84/48/401688448.db2.gz VDENBPRDXQJZAX-OKILXGFUSA-N 1 0 303.318 2.364 10 30 DEEERO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000111302103 401710037 /nfs/dbraw/zinc/71/00/37/401710037.db2.gz BMKYNFNAYLUHDN-QGZVFWFLSA-N 1 0 317.408 2.384 10 30 DEEERO C[N@@H+]1CCC[C@H]1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000111581760 401717674 /nfs/dbraw/zinc/71/76/74/401717674.db2.gz FRNYSXDGYOASQB-INIZCTEOSA-N 1 0 315.417 2.318 10 30 DEEERO CC[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000128458934 401777855 /nfs/dbraw/zinc/77/78/55/401777855.db2.gz BYXOJNOUOIWMBY-CQSZACIVSA-N 1 0 306.431 2.454 10 30 DEEERO C=C(C)COCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000128640216 401785864 /nfs/dbraw/zinc/78/58/64/401785864.db2.gz PIJGDEZNPPKQHD-KRWDZBQOSA-N 1 0 319.449 2.051 10 30 DEEERO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1CCCO ZINC000052762885 402046406 /nfs/dbraw/zinc/04/64/06/402046406.db2.gz ISRCTRUONLJDOU-CYBMUJFWSA-N 1 0 307.419 2.185 10 30 DEEERO Cc1csc([C@@H]2CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)n1 ZINC000092795423 402009225 /nfs/dbraw/zinc/00/92/25/402009225.db2.gz WNUJIBWEKFDHJP-CQSZACIVSA-N 1 0 320.462 2.393 10 30 DEEERO C=CCOc1ccc(C[NH2+]C2(CC(=O)OC)CCOCC2)cc1 ZINC000152534754 402099719 /nfs/dbraw/zinc/09/97/19/402099719.db2.gz RJYXNLXUTVYASC-UHFFFAOYSA-N 1 0 319.401 2.453 10 30 DEEERO C=CCCCN(C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176057002 402273965 /nfs/dbraw/zinc/27/39/65/402273965.db2.gz XUNNGEVPKGEOSC-UHFFFAOYSA-N 1 0 318.421 2.277 10 30 DEEERO C=CCOc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1OC ZINC000159246072 402320445 /nfs/dbraw/zinc/32/04/45/402320445.db2.gz IAQQFRUINBLCIK-GASCZTMLSA-N 1 0 316.401 2.227 10 30 DEEERO CC(C)C[C@@H](CO)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000185345157 402345652 /nfs/dbraw/zinc/34/56/52/402345652.db2.gz NNCBCBBWMNHFCO-ZDUSSCGKSA-N 1 0 309.435 2.287 10 30 DEEERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185364421 402347115 /nfs/dbraw/zinc/34/71/15/402347115.db2.gz UTRHQHBNVIPOBK-AWEZNQCLSA-N 1 0 323.824 2.489 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000185480346 402355728 /nfs/dbraw/zinc/35/57/28/402355728.db2.gz PGTGTRZZXIOSDK-AWEZNQCLSA-N 1 0 303.406 2.341 10 30 DEEERO COCC[N@@H+]1CCN(CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000177131095 402373168 /nfs/dbraw/zinc/37/31/68/402373168.db2.gz QAKLROBDTNRCEK-OAHLLOKOSA-N 1 0 306.837 2.344 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000177163665 402377294 /nfs/dbraw/zinc/37/72/94/402377294.db2.gz SCOKAHHYALJAND-SMDDNHRTSA-N 1 0 302.353 2.398 10 30 DEEERO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000159734431 402329296 /nfs/dbraw/zinc/32/92/96/402329296.db2.gz XWZIOKKHKATXJB-INIZCTEOSA-N 1 0 322.478 2.450 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc(C#N)c1 ZINC000177394291 402397906 /nfs/dbraw/zinc/39/79/06/402397906.db2.gz OMDXCUFRXHJUQZ-INIZCTEOSA-N 1 0 300.406 2.184 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(C#N)c1 ZINC000177394271 402397985 /nfs/dbraw/zinc/39/79/85/402397985.db2.gz OMDXCUFRXHJUQZ-MRXNPFEDSA-N 1 0 300.406 2.184 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC(C)(C)O2)CC1 ZINC000186586182 402444494 /nfs/dbraw/zinc/44/44/94/402444494.db2.gz JYEPIICRELKPOC-HNNXBMFYSA-N 1 0 309.454 2.284 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000186688191 402456103 /nfs/dbraw/zinc/45/61/03/402456103.db2.gz DLEWWXIDKOVUQD-UHFFFAOYSA-N 1 0 309.413 2.356 10 30 DEEERO C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCO1 ZINC000245525076 402467886 /nfs/dbraw/zinc/46/78/86/402467886.db2.gz OBTIVXIMQBEYDZ-PBHICJAKSA-N 1 0 313.401 2.164 10 30 DEEERO CCc1nn(C)c(CC)c1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000179009085 402564843 /nfs/dbraw/zinc/56/48/43/402564843.db2.gz RPVIYBRQEUYEJT-UHFFFAOYSA-N 1 0 322.416 2.354 10 30 DEEERO C=CCC1(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)CCC1 ZINC000188322393 402519639 /nfs/dbraw/zinc/51/96/39/402519639.db2.gz HFZJEROPOHHCLS-QGZVFWFLSA-N 1 0 319.493 2.361 10 30 DEEERO N#Cc1ccc2ncc(CN3CCC[C@H]3C[NH+]3CCCC3)n2c1 ZINC000179643707 402597082 /nfs/dbraw/zinc/59/70/82/402597082.db2.gz FSSNLKKKYGMCTK-INIZCTEOSA-N 1 0 309.417 2.266 10 30 DEEERO C=CCN(CCOC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000250747635 402646922 /nfs/dbraw/zinc/64/69/22/402646922.db2.gz RHOSCUAOBRZWSI-DLBZAZTESA-N 1 0 317.433 2.276 10 30 DEEERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000182920855 402727125 /nfs/dbraw/zinc/72/71/25/402727125.db2.gz WPXDYSIPGGCQFF-GUYCJALGSA-N 1 0 309.369 2.208 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000182934925 402728164 /nfs/dbraw/zinc/72/81/64/402728164.db2.gz WOORJNRTEZPAKC-QGZVFWFLSA-N 1 0 317.433 2.019 10 30 DEEERO N#Cc1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccn1 ZINC000192630808 402741781 /nfs/dbraw/zinc/74/17/81/402741781.db2.gz VRCUGBKAZVWFEF-UHFFFAOYSA-N 1 0 320.396 2.479 10 30 DEEERO C[NH+](C)[C@@H](CNC(=O)c1ccnc(C#N)c1)C1CCCCC1 ZINC000192683940 402744339 /nfs/dbraw/zinc/74/43/39/402744339.db2.gz DACKKSNKLKOUIN-INIZCTEOSA-N 1 0 300.406 2.194 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000174533908 402745859 /nfs/dbraw/zinc/74/58/59/402745859.db2.gz HGZHXYTUEQPCJU-HOCLYGCPSA-N 1 0 314.433 2.301 10 30 DEEERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C#N)s1)CC2 ZINC000183319314 402756021 /nfs/dbraw/zinc/75/60/21/402756021.db2.gz UEXCINSUUFSWIF-GHMZBOCLSA-N 1 0 301.419 2.439 10 30 DEEERO C[C@@H](NC(=O)c1ccnc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000193851929 402776836 /nfs/dbraw/zinc/77/68/36/402776836.db2.gz NFXWEJPGVCXWII-DYVFJYSZSA-N 1 0 308.385 2.374 10 30 DEEERO C=CCOc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1OC ZINC000263927805 402821334 /nfs/dbraw/zinc/82/13/34/402821334.db2.gz SQVBMCDITWSSDY-OAHLLOKOSA-N 1 0 318.417 2.426 10 30 DEEERO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000281616413 403075163 /nfs/dbraw/zinc/07/51/63/403075163.db2.gz NKONWJZIMGANNT-CQSZACIVSA-N 1 0 313.394 2.012 10 30 DEEERO C=CCc1cc(C[N@H+]2CC[C@H](C(=O)OC)C2)cc(OC)c1O ZINC000271103626 403264402 /nfs/dbraw/zinc/26/44/02/403264402.db2.gz QQNKYENBULUOBY-AWEZNQCLSA-N 1 0 305.374 2.124 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCn1ccnc1 ZINC000285039015 403277480 /nfs/dbraw/zinc/27/74/80/403277480.db2.gz KJCNWLIFBVKTFH-KRWDZBQOSA-N 1 0 310.401 2.207 10 30 DEEERO N#Cc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2n1 ZINC000301539093 403644406 /nfs/dbraw/zinc/64/44/06/403644406.db2.gz JLIUDNNYOUMIDE-OAHLLOKOSA-N 1 0 322.412 2.265 10 30 DEEERO C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000347295375 403653772 /nfs/dbraw/zinc/65/37/72/403653772.db2.gz XWCSXROQSBOASZ-LXZKKBNFSA-N 1 0 300.402 2.337 10 30 DEEERO CCN1CC[NH+](C[C@H](C)CNc2cc(C)nc(C)c2C#N)CC1 ZINC000301803032 403681839 /nfs/dbraw/zinc/68/18/39/403681839.db2.gz WTCQSRKRKAMUNU-CQSZACIVSA-N 1 0 315.465 2.256 10 30 DEEERO Cc1cc(C#N)nc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000287958340 403699097 /nfs/dbraw/zinc/69/90/97/403699097.db2.gz SQICBDWQELHGHX-KRWDZBQOSA-N 1 0 307.401 2.367 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000288419162 403751097 /nfs/dbraw/zinc/75/10/97/403751097.db2.gz ZTFUDVKEINEXQJ-QGZVFWFLSA-N 1 0 300.377 2.207 10 30 DEEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000305052457 403811900 /nfs/dbraw/zinc/81/19/00/403811900.db2.gz DCHVYXOAVKVHNT-JKSUJKDBSA-N 1 0 317.433 2.368 10 30 DEEERO C[C@@H](CCC#N)[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000411572077 403898241 /nfs/dbraw/zinc/89/82/41/403898241.db2.gz QWXSCHUCLIWUSJ-WMZOPIPTSA-N 1 0 301.434 2.247 10 30 DEEERO COc1ccnc(CN2CC[C@H](n3ccc(NC(C)=O)n3)C2)c1 ZINC000328616615 404115481 /nfs/dbraw/zinc/11/54/81/404115481.db2.gz BWDUQOJFENOLOT-AWEZNQCLSA-N 1 0 315.377 2.342 10 30 DEEERO C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000328945402 404178852 /nfs/dbraw/zinc/17/88/52/404178852.db2.gz AXMUOJUUSXBFCV-APIJFGDWSA-N 1 0 303.406 2.271 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000355515832 404346175 /nfs/dbraw/zinc/34/61/75/404346175.db2.gz PUZGIMIBEDSHHY-INIZCTEOSA-N 1 0 315.417 2.287 10 30 DEEERO C[C@H](NC(=O)N(C)[C@@H]1CCNC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329305634 404296912 /nfs/dbraw/zinc/29/69/12/404296912.db2.gz OXAKQFRLVWLHDK-KCQAQPDRSA-N 1 0 322.453 2.214 10 30 DEEERO C[C@H]1C[C@@H](C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)CC[N@@H+]1C ZINC000329591288 404386055 /nfs/dbraw/zinc/38/60/55/404386055.db2.gz UAWVXBUAEAULRU-HUBLWGQQSA-N 1 0 319.380 2.228 10 30 DEEERO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cn(C)nc2C2CC2)C[C@@H]1C ZINC000329633233 404403196 /nfs/dbraw/zinc/40/31/96/404403196.db2.gz SINMKYPWCNTKGZ-NWDGAFQWSA-N 1 0 305.426 2.258 10 30 DEEERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cccnn1 ZINC000329635035 404404290 /nfs/dbraw/zinc/40/42/90/404404290.db2.gz XTTBWICHVNVXNW-LSDHHAIUSA-N 1 0 317.437 2.276 10 30 DEEERO C=CCn1c(-c2ccoc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000351076530 404511028 /nfs/dbraw/zinc/51/10/28/404511028.db2.gz STHCRCNDSVXQMP-HNNXBMFYSA-N 1 0 313.405 2.397 10 30 DEEERO C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)C1=CC[N@H+](C)CC1 ZINC000330204705 404583505 /nfs/dbraw/zinc/58/35/05/404583505.db2.gz CWZDZYRRQWJYES-JGGQBBKZSA-N 1 0 318.421 2.105 10 30 DEEERO C[C@H]1CN(c2ncc(Br)cc2C#N)C[C@@H]1[NH+](C)C ZINC000297635460 404573441 /nfs/dbraw/zinc/57/34/41/404573441.db2.gz XJVGHAWBCYMORV-CABZTGNLSA-N 1 0 309.211 2.102 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000297742698 404610164 /nfs/dbraw/zinc/61/01/64/404610164.db2.gz UOOHSAOMFBMURM-LJQANCHMSA-N 1 0 311.429 2.295 10 30 DEEERO C=CCCS(=O)(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000366794771 404848739 /nfs/dbraw/zinc/84/87/39/404848739.db2.gz MNPUETGQNASWJS-GJZGRUSLSA-N 1 0 312.410 2.066 10 30 DEEERO C=CCC[C@H](NC(=O)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000435721628 405006724 /nfs/dbraw/zinc/00/67/24/405006724.db2.gz DSXHWOCMMGXYND-SFHVURJKSA-N 1 0 315.461 2.448 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(=O)OC ZINC000451589537 405014034 /nfs/dbraw/zinc/01/40/34/405014034.db2.gz VRAFCXFTNPLPMH-QLFBSQMISA-N 1 0 310.438 2.121 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418694959 405170558 /nfs/dbraw/zinc/17/05/58/405170558.db2.gz WYPLLUPCGVTTIR-ZDUSSCGKSA-N 1 0 320.393 2.420 10 30 DEEERO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2COc2cccnc2C)C1=O ZINC000419381989 405246538 /nfs/dbraw/zinc/24/65/38/405246538.db2.gz CZQKEIGEMFIUGK-HZPDHXFCSA-N 1 0 315.417 2.020 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000448815870 405451778 /nfs/dbraw/zinc/45/17/78/405451778.db2.gz JGNDOORSAFPGHV-UHFFFAOYSA-N 1 0 310.401 2.101 10 30 DEEERO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(C#N)n2C)o1 ZINC000448815484 405451812 /nfs/dbraw/zinc/45/18/12/405451812.db2.gz FIGZJCDXSPJYGQ-UHFFFAOYSA-N 1 0 314.389 2.002 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000448819147 405452208 /nfs/dbraw/zinc/45/22/08/405452208.db2.gz TXCZQIWWKDEKJY-UHFFFAOYSA-N 1 0 314.433 2.281 10 30 DEEERO C=CCn1c(-c2scnc2C)nnc1N1CC[NH+](CC)CC1 ZINC000577952413 405543735 /nfs/dbraw/zinc/54/37/35/405543735.db2.gz IZOFNNHDUPQFLN-UHFFFAOYSA-N 1 0 318.450 2.038 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000580445156 405618606 /nfs/dbraw/zinc/61/86/06/405618606.db2.gz LEDCGWAXCGTOAF-KBPBESRZSA-N 1 0 303.324 2.135 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000633317147 405568989 /nfs/dbraw/zinc/56/89/89/405568989.db2.gz DYKVRIDKFHHSIA-GJZGRUSLSA-N 1 0 309.454 2.093 10 30 DEEERO C=C1CC(C)(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000633619223 405749476 /nfs/dbraw/zinc/74/94/76/405749476.db2.gz UVSRNHKTNNQICX-QGZVFWFLSA-N 1 0 314.429 2.226 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000636460249 405970250 /nfs/dbraw/zinc/97/02/50/405970250.db2.gz CWZSOYJPHWQRKC-UHFFFAOYSA-N 1 0 323.481 2.086 10 30 DEEERO C=CCOc1ccc(CN2CC[NH2+]C[C@H]2C(F)F)cc1OC ZINC000517236222 406124549 /nfs/dbraw/zinc/12/45/49/406124549.db2.gz NNASWLMIQYXHNV-ZDUSSCGKSA-N 1 0 312.360 2.299 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000632638398 406208011 /nfs/dbraw/zinc/20/80/11/406208011.db2.gz JCAAMUCTWNZBLQ-OAHLLOKOSA-N 1 0 323.481 2.084 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000637622082 406369574 /nfs/dbraw/zinc/36/95/74/406369574.db2.gz YHENZNAQRJOWDD-LSDHHAIUSA-N 1 0 311.470 2.075 10 30 DEEERO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000571283714 406501349 /nfs/dbraw/zinc/50/13/49/406501349.db2.gz YRODSUMIDRFAMR-MELADBBJSA-N 1 0 309.431 2.412 10 30 DEEERO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000555316311 406840569 /nfs/dbraw/zinc/84/05/69/406840569.db2.gz TVPJXVRMVXYJNG-AWEZNQCLSA-N 1 0 319.449 2.076 10 30 DEEERO C[C@H]([NH3+])c1cc(Br)ccc1N1CCO[C@H](C#N)C1 ZINC000129025472 196012877 /nfs/dbraw/zinc/01/28/77/196012877.db2.gz HBPDRBLRIMMDEB-GXSJLCMTSA-N 1 0 310.195 2.198 10 30 DEEERO C=CCNc1ncc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000129214466 196029718 /nfs/dbraw/zinc/02/97/18/196029718.db2.gz VMGKYCHMFHUQAG-NEPJUHHUSA-N 1 0 308.451 2.296 10 30 DEEERO N#Cc1ccc(N2CC[C@@H](N3CCC([NH3+])CC3)C2)c(Cl)c1 ZINC000130837988 196114365 /nfs/dbraw/zinc/11/43/65/196114365.db2.gz ARXSHMYKAJWSQL-CQSZACIVSA-N 1 0 304.825 2.213 10 30 DEEERO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)N(C)CCC#N)C12CCCC2 ZINC000131902259 196208871 /nfs/dbraw/zinc/20/88/71/196208871.db2.gz HCMHNZULBAIXKP-CVEARBPZSA-N 1 0 321.465 2.418 10 30 DEEERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Br)cc1C#N ZINC000132453867 196257374 /nfs/dbraw/zinc/25/73/74/196257374.db2.gz MOPMTFIEDWNRPF-LDYMZIIASA-N 1 0 308.179 2.257 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000132459859 196257938 /nfs/dbraw/zinc/25/79/38/196257938.db2.gz QJLGUULGHQDJEE-NSHDSACASA-N 1 0 308.179 2.387 10 30 DEEERO CCC[NH2+][C@@H]1CCN(c2ccc(Br)cc2C#N)C1=O ZINC000133029718 196306385 /nfs/dbraw/zinc/30/63/85/196306385.db2.gz DMWUXGCJKAVSEJ-GFCCVEGCSA-N 1 0 322.206 2.426 10 30 DEEERO [NH2+]=C(NCCc1cc(F)cc2c1OCOC2)NC1CCCCC1 ZINC000262011188 225264350 /nfs/dbraw/zinc/26/43/50/225264350.db2.gz UEICVQRWPBNWKH-UHFFFAOYSA-N 1 0 321.396 2.472 10 30 DEEERO CCn1c(CNC(=[NH2+])N(C)C)nc2cc(Br)ccc21 ZINC000262418100 225271141 /nfs/dbraw/zinc/27/11/41/225271141.db2.gz UJQQERTUJBLTDB-UHFFFAOYSA-N 1 0 324.226 2.195 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1SCCc2ccccc21 ZINC000262532769 274931785 /nfs/dbraw/zinc/93/17/85/274931785.db2.gz OIKOLRZSOOMEPF-ZFWWWQNUSA-N 1 0 305.447 2.100 10 30 DEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N(C)CC(=O)NC(C)(C)C ZINC000262365010 275409555 /nfs/dbraw/zinc/40/95/55/275409555.db2.gz HMXQBGCIPGPAEO-HUUCEWRRSA-N 1 0 322.497 2.377 10 30 DEEERO CC[NH+](CC)CC1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000471631775 276323345 /nfs/dbraw/zinc/32/33/45/276323345.db2.gz BLVMUVLYZCAIGQ-UHFFFAOYSA-N 1 0 317.393 2.420 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]1COC)C(C)C ZINC000297076856 276891555 /nfs/dbraw/zinc/89/15/55/276891555.db2.gz LTTCRLMKGQQDAP-JKSUJKDBSA-N 1 0 309.454 2.115 10 30 DEEERO C[N@@H+]1CCCC[C@H]1CN1CCN(CC#Cc2ccccc2)CC1 ZINC000192014501 277047065 /nfs/dbraw/zinc/04/70/65/277047065.db2.gz WKRWJXOBAGLLTJ-FQEVSTJZSA-N 1 0 311.473 2.140 10 30 DEEERO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C(F)(F)F)cc3C#N)C[C@@H]21 ZINC000153109159 277124690 /nfs/dbraw/zinc/12/46/90/277124690.db2.gz XBJVDAJIPZSIIM-UONOGXRCSA-N 1 0 311.307 2.096 10 30 DEEERO C[NH+]=C(NCC1(O)CCCCC1)N1CCC[C@]2(CCCOC2)C1 ZINC000262797775 277749931 /nfs/dbraw/zinc/74/99/31/277749931.db2.gz QAUAHZCBGTZUMN-KRWDZBQOSA-N 1 0 323.481 2.150 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000245438042 279300471 /nfs/dbraw/zinc/30/04/71/279300471.db2.gz XGGZPQRNDMRMLO-GOEBONIOSA-N 1 0 315.417 2.268 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]C[C@@H](CO)c3ccccc3)n2c1 ZINC000175048610 325743453 /nfs/dbraw/zinc/74/34/53/325743453.db2.gz GLLMFTLZJYQMST-INIZCTEOSA-N 1 0 306.369 2.072 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000566140095 331992018 /nfs/dbraw/zinc/99/20/18/331992018.db2.gz OHLAYNCTWQMENZ-VGWMRTNUSA-N 1 0 309.454 2.140 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000559567071 332271930 /nfs/dbraw/zinc/27/19/30/332271930.db2.gz FCFBOOFEJWPISY-UHFFFAOYSA-N 1 0 324.428 2.381 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@@]2(C)Br)CC1 ZINC000528450449 332753875 /nfs/dbraw/zinc/75/38/75/332753875.db2.gz SGENSVLUEUWGPG-TZMCWYRMSA-N 1 0 315.255 2.317 10 30 DEEERO C=CCN1CC[C@H]([N@@H+]2CCCN(c3ccc(C)cc3)CC2)C1=O ZINC000366895395 335317700 /nfs/dbraw/zinc/31/77/00/335317700.db2.gz XBFJWSSQGLRFHL-SFHVURJKSA-N 1 0 313.445 2.294 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCOC[C@H]1C)C(C)C ZINC000248842302 341388308 /nfs/dbraw/zinc/38/83/08/341388308.db2.gz RIPFZEMKXWPNEQ-BRWVUGGUSA-N 1 0 308.466 2.474 10 30 DEEERO C[C@@H]1CCC[C@](CNC(=O)c2ccc(C#N)n2C)([NH+](C)C)C1 ZINC000448768900 533898117 /nfs/dbraw/zinc/89/81/17/533898117.db2.gz RPADVCQHFWKNAF-DYVFJYSZSA-N 1 0 302.422 2.137 10 30 DEEERO COc1ccc(NC(=[NH2+])NC[C@@H]2CC23CCOCC3)cc1OC ZINC000262775573 533988812 /nfs/dbraw/zinc/98/88/12/533988812.db2.gz IAMNVRJUHZJUOZ-LBPRGKRZSA-N 1 0 319.405 2.247 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCCc2nc(C(C)(C)C)cs2)CCO1 ZINC000262453442 534271429 /nfs/dbraw/zinc/27/14/29/534271429.db2.gz KJPPLNNGZINKNB-LLVKDONJSA-N 1 0 310.467 2.019 10 30 DEEERO CN/C(=[NH+]/C)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000261671282 526344760 /nfs/dbraw/zinc/34/47/60/526344760.db2.gz CAQVTGXWSCYOCP-LBPRGKRZSA-N 1 0 301.312 2.284 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](CC)[NH+](C)C ZINC000413259890 526349222 /nfs/dbraw/zinc/34/92/22/526349222.db2.gz GZRCJFYJTMKBNM-HNNXBMFYSA-N 1 0 305.378 2.450 10 30 DEEERO C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262283250 526366468 /nfs/dbraw/zinc/36/64/68/526366468.db2.gz WEKAYJQWJVDJKE-RRFJBIMHSA-N 1 0 319.453 2.444 10 30 DEEERO C[NH+]=C(NC[C@@H]1CC1(C)C)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000261626248 526368718 /nfs/dbraw/zinc/36/87/18/526368718.db2.gz BVVYFWGHCSIMPE-STQMWFEESA-N 1 0 309.454 2.272 10 30 DEEERO C[NH+]=C(NCc1cccc(OC)n1)N1CCS[C@@H](C(C)C)C1 ZINC000261676062 526383815 /nfs/dbraw/zinc/38/38/15/526383815.db2.gz COXJZPMVTDOZAC-CQSZACIVSA-N 1 0 322.478 2.239 10 30 DEEERO C[NH+]=C(NCc1nc(C)no1)N1CC[C@](C)(c2ccccc2)C1 ZINC000261851394 526390299 /nfs/dbraw/zinc/39/02/99/526390299.db2.gz YBVGDCQPRUMMHN-KRWDZBQOSA-N 1 0 313.405 2.117 10 30 DEEERO C[NH+]=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)N(C)C[C@H]1CCOC1 ZINC000261628960 526394950 /nfs/dbraw/zinc/39/49/50/526394950.db2.gz JFPSRBUMWPPXRR-TYNCELHUSA-N 1 0 323.387 2.364 10 30 DEEERO C=CCOc1ccc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1 ZINC000418115878 526873167 /nfs/dbraw/zinc/87/31/67/526873167.db2.gz QADXKOAXFXTMLA-JKSUJKDBSA-N 1 0 304.434 2.138 10 30 DEEERO C=CCOc1cccnc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341981871 526954227 /nfs/dbraw/zinc/95/42/27/526954227.db2.gz FBPQFBVNBYYBOU-UONOGXRCSA-N 1 0 303.406 2.201 10 30 DEEERO CC[NH+]=C(NCC1(C)CCCC1)N1CCN(C(=O)C(C)C)CC1 ZINC000262766243 528802218 /nfs/dbraw/zinc/80/22/18/528802218.db2.gz HHCBVTLRPIQODI-UHFFFAOYSA-N 1 0 322.497 2.332 10 30 DEEERO CC[NH+]=C(NC[C@H](O)C(F)(F)F)NC1CCC(C)(C)CC1 ZINC000262810445 528813988 /nfs/dbraw/zinc/81/39/88/528813988.db2.gz UZTLZCBBJLSLEZ-NSHDSACASA-N 1 0 309.376 2.434 10 30 DEEERO CC[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262364570 528820054 /nfs/dbraw/zinc/82/00/54/528820054.db2.gz HMEZLYQAMLOBQZ-OWCLPIDISA-N 1 0 320.481 2.131 10 30 DEEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N(C)Cc1ccc[nH]1 ZINC000262472560 528820381 /nfs/dbraw/zinc/82/03/81/528820381.db2.gz ZERMHFRYYNASOW-ZNMIVQPWSA-N 1 0 304.438 2.226 10 30 DEEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1CCOCC1 ZINC000261725648 528821193 /nfs/dbraw/zinc/82/11/93/528821193.db2.gz LDZQHVUPUNFJFI-ARFHVFGLSA-N 1 0 321.465 2.068 10 30 DEEERO CC(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000261817750 528832716 /nfs/dbraw/zinc/83/27/16/528832716.db2.gz KAQIFFZOHDRDBG-UNEWFSDZSA-N 1 0 317.433 2.476 10 30 DEEERO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2C[NH2+]C[C@H](C=O)C2)CC1 ZINC000675059414 563910330 /nfs/dbraw/zinc/91/03/30/563910330.db2.gz HRRZJNZYIHDQOL-ILXRZTDVSA-N 1 0 310.438 2.448 10 30 DEEERO Cc1cccc(NC(=[NH2+])NC[C@@H](O)COc2ccc(F)cc2)c1 ZINC000104179999 624783068 /nfs/dbraw/zinc/78/30/68/624783068.db2.gz KBQRAWBUVHKNJF-OAHLLOKOSA-N 1 0 317.364 2.301 10 30 DEEERO C[NH+]=C(NCCn1ccnc1)N(C)Cc1ccc(Cl)cc1 ZINC000073761958 636459724 /nfs/dbraw/zinc/45/97/24/636459724.db2.gz OGSVHODABHOWBO-UHFFFAOYSA-N 1 0 305.813 2.244 10 30 DEEERO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747445066 638437813 /nfs/dbraw/zinc/43/78/13/638437813.db2.gz RWJIONMKULTGJA-OAHLLOKOSA-N 1 0 301.390 2.057 10 30 DEEERO COc1ccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1C#N ZINC000747613837 638454576 /nfs/dbraw/zinc/45/45/76/638454576.db2.gz HNFZSOLYPXAQRN-MCIONIFRSA-N 1 0 315.417 2.444 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NCC[N@@H+](C)C(C)C ZINC000805075767 639517002 /nfs/dbraw/zinc/51/70/02/639517002.db2.gz FEVGSNVCUSWWNZ-QGZVFWFLSA-N 1 0 301.434 2.260 10 30 DEEERO CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCN(CC)C2=O)c(O)c1 ZINC000801646018 645427090 /nfs/dbraw/zinc/42/70/90/645427090.db2.gz KEJOPNQUBKWDMP-BRYHAGSVSA-N 1 0 303.406 2.278 10 30 DEEERO C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000173794380 646779783 /nfs/dbraw/zinc/77/97/83/646779783.db2.gz GROMGOHYTYFRRL-AWEZNQCLSA-N 1 0 319.380 2.444 10 30 DEEERO C=CCn1c(C2CC2)nn(CN2CC[C@@H]([NH+](C)C)C2)c1=S ZINC000170843649 648353714 /nfs/dbraw/zinc/35/37/14/648353714.db2.gz ABRZICRGMBKMTJ-CYBMUJFWSA-N 1 0 307.467 2.071 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc2c1OCO2 ZINC000121362775 649040655 /nfs/dbraw/zinc/04/06/55/649040655.db2.gz VZLPCYCFOPCETQ-CYBMUJFWSA-N 1 0 303.358 2.306 10 30 DEEERO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000037984454 683885555 /nfs/dbraw/zinc/88/55/55/683885555.db2.gz DFHOGPDPEMKZNQ-MNOVXSKESA-N 1 0 309.207 2.238 10 30 DEEERO C#CCCOc1ccc(C[N@H+]2CCCC[C@H]2CC(N)=O)cc1 ZINC000092588774 684043471 /nfs/dbraw/zinc/04/34/71/684043471.db2.gz VFBKVPWJDIYDKP-INIZCTEOSA-N 1 0 300.402 2.319 10 30 DEEERO [NH2+]=C(NCc1ccc(Cn2ccccc2=O)cc1)N1CCCCC1 ZINC000104178706 684059194 /nfs/dbraw/zinc/05/91/94/684059194.db2.gz FJVSSGHCLQMYDP-UHFFFAOYSA-N 1 0 324.428 2.197 10 30 DEEERO COCCOc1cccc(CNC(=[NH2+])N2CCCCCC2)c1 ZINC000125988415 684150250 /nfs/dbraw/zinc/15/02/50/684150250.db2.gz SYMOHKMIJYDMOT-UHFFFAOYSA-N 1 0 305.422 2.403 10 30 DEEERO CN(C)C(NCc1ccccc1)=[NH+]CCNC(=O)c1ccccc1 ZINC000303786044 685235330 /nfs/dbraw/zinc/23/53/30/685235330.db2.gz QYVXZJLDWJESNW-UHFFFAOYSA-N 1 0 324.428 2.124 10 30 DEEERO COc1ccc(CNC(=[NH2+])NC(C)(C)C)cc1OC(F)F ZINC000303878658 685236463 /nfs/dbraw/zinc/23/64/63/685236463.db2.gz FZMLBOJIOIQCNY-UHFFFAOYSA-N 1 0 301.337 2.499 10 30 DEEERO COCCOc1cccc(CNC(=[NH2+])N2CCC[C@H](C)C2)c1 ZINC000303903433 685239744 /nfs/dbraw/zinc/23/97/44/685239744.db2.gz UKWQPKWBMZUPGN-AWEZNQCLSA-N 1 0 305.422 2.258 10 30 DEEERO Cc1cccc(C(C)C)c1NC(=O)C[N+]12CCN(CC1)CC2 ZINC000007613238 717105827 /nfs/dbraw/zinc/10/58/27/717105827.db2.gz PIQYDKYVYSJMOD-UHFFFAOYSA-O 1 0 302.442 2.203 10 30 DEEERO O=C(C[N+]12CCN(CC1)CC2)Nc1cc(Cl)ccc1Cl ZINC000007613183 717105879 /nfs/dbraw/zinc/10/58/79/717105879.db2.gz CROJQNFLVWZTRH-UHFFFAOYSA-O 1 0 315.224 2.078 10 30 DEEERO CC(C)(C)c1ccc(NC(=O)C[N+]23CCN(CC2)CC3)cc1 ZINC000021958004 717112861 /nfs/dbraw/zinc/11/28/61/717112861.db2.gz NJRHOYHEUVFLBF-UHFFFAOYSA-O 1 0 302.442 2.069 10 30 DEEERO C#CC[C@@H](COC)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716856460 793010238 /nfs/dbraw/zinc/01/02/38/793010238.db2.gz LZHQGCBLPASGBR-HNNXBMFYSA-N 1 0 310.438 2.261 10 30 DEEERO COc1ccc(O)c(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000123772018 799145603 /nfs/dbraw/zinc/14/56/03/799145603.db2.gz JKQRMINKPHIGOO-UHFFFAOYSA-N 1 0 308.341 2.210 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000076738489 185037477 /nfs/dbraw/zinc/03/74/77/185037477.db2.gz HLRIKPVDVVQFSJ-UHFFFAOYSA-N 1 0 303.406 2.225 10 30 DEEERO CCCc1nnsc1C(=O)Nc1ccccc1C#CC[NH3+] ZINC000087456362 185225601 /nfs/dbraw/zinc/22/56/01/185225601.db2.gz BFRGVQBPKNZXGA-UHFFFAOYSA-N 1 0 300.387 2.053 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000625525064 365814455 /nfs/dbraw/zinc/81/44/55/365814455.db2.gz QGYXDODJNDCWJO-HUUCEWRRSA-N 1 0 323.481 2.036 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@@H](O)COc2c(OC)cccc2OC)C1 ZINC000625700563 365875196 /nfs/dbraw/zinc/87/51/96/365875196.db2.gz KGQKLPSUXJKCTK-LSDHHAIUSA-N 1 0 321.417 2.342 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)NCCOc2cccc(C)c2)C1 ZINC000625701730 365875327 /nfs/dbraw/zinc/87/53/27/365875327.db2.gz BZSZNDWUWAFAKH-INIZCTEOSA-N 1 0 302.418 2.388 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000625701922 365875432 /nfs/dbraw/zinc/87/54/32/365875432.db2.gz CNIMLBVOYVEQNT-AWEZNQCLSA-N 1 0 315.417 2.225 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)NCCc2ccccc2OC)C1 ZINC000625702624 365876718 /nfs/dbraw/zinc/87/67/18/365876718.db2.gz HRXXKMFZBFKXRC-HNNXBMFYSA-N 1 0 302.418 2.252 10 30 DEEERO C=C[C@@](C)(O)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000616418099 362851613 /nfs/dbraw/zinc/85/16/13/362851613.db2.gz HVJWZSIZYKXGBK-OAHLLOKOSA-N 1 0 309.435 2.175 10 30 DEEERO CC[NH+](CC)CCN1C(=O)c2ccc(N(C)C)cc2[C@@H]1C#N ZINC000071679159 191006127 /nfs/dbraw/zinc/00/61/27/191006127.db2.gz GABLIUBYBQQNMX-INIZCTEOSA-N 1 0 300.406 2.115 10 30 DEEERO Cc1cc(C(=O)N2CCS[C@H](C)[C@H]2C)ccc1C#CC[NH3+] ZINC000133668395 186005286 /nfs/dbraw/zinc/00/52/86/186005286.db2.gz DYKFAWZBLLKSOF-ZIAGYGMSSA-N 1 0 302.443 2.271 10 30 DEEERO COc1ccc(C#CCO)cc1C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000133785373 186012255 /nfs/dbraw/zinc/01/22/55/186012255.db2.gz XSFRQXAEHLDZDC-UONOGXRCSA-N 1 0 305.443 2.365 10 30 DEEERO C=C[C@@H](CC(=O)N1CC[NH+]([C@@H](CC)CO)CC1)c1ccccc1 ZINC000270468424 186399530 /nfs/dbraw/zinc/39/95/30/186399530.db2.gz HDFBSQPVBUBLOP-WMZOPIPTSA-N 1 0 316.445 2.261 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000321057446 539898341 /nfs/dbraw/zinc/89/83/41/539898341.db2.gz XILZQJRDLMYPLR-GHMZBOCLSA-N 1 0 320.216 2.260 10 30 DEEERO C=CCC(C)(C)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617705014 363228115 /nfs/dbraw/zinc/22/81/15/363228115.db2.gz LQCOWHUGUGBPSS-QGZVFWFLSA-N 1 0 316.445 2.472 10 30 DEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000068223819 354804044 /nfs/dbraw/zinc/80/40/44/354804044.db2.gz CVWCUPPCDISZTI-HOCLYGCPSA-N 1 0 317.433 2.418 10 30 DEEERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2CCC(C#N)CC2)C1 ZINC000367017162 283092224 /nfs/dbraw/zinc/09/22/24/283092224.db2.gz ODPHFAJFAZIOIW-SJJHQCBESA-N 1 0 318.465 2.442 10 30 DEEERO C=CCCC[C@@H](C)[NH+]1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000091506699 355599770 /nfs/dbraw/zinc/59/97/70/355599770.db2.gz XQSZDLGPHYHQLK-CQSZACIVSA-N 1 0 320.437 2.284 10 30 DEEERO C=CCCC[C@H](C)[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000091506377 355600459 /nfs/dbraw/zinc/60/04/59/355600459.db2.gz JYSFTJZASUXANH-KRWDZBQOSA-N 1 0 307.482 2.361 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000595603862 358498648 /nfs/dbraw/zinc/49/86/48/358498648.db2.gz PIZPXWRCQZDULZ-MNOVXSKESA-N 1 0 321.343 2.099 10 30 DEEERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000334069554 283160257 /nfs/dbraw/zinc/16/02/57/283160257.db2.gz GFJPHJZAGGYKSB-VGWMRTNUSA-N 1 0 304.438 2.194 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000626843749 366343206 /nfs/dbraw/zinc/34/32/06/366343206.db2.gz YBKDWBZOHKOZEF-UHFFFAOYSA-N 1 0 317.433 2.453 10 30 DEEERO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000594429708 358267648 /nfs/dbraw/zinc/26/76/48/358267648.db2.gz VUSGMGSVIOCYCR-MRXNPFEDSA-N 1 0 311.389 2.281 10 30 DEEERO CCn1ccnc1[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000594983257 358373268 /nfs/dbraw/zinc/37/32/68/358373268.db2.gz WBKRGZUEBOLHMV-SWLSCSKDSA-N 1 0 300.362 2.235 10 30 DEEERO C=CC[C@]1(C(=O)Nc2ccc(C(=O)OCC)cc2O)CCC[NH2+]1 ZINC000595955321 358586590 /nfs/dbraw/zinc/58/65/90/358586590.db2.gz MZWZSDYDSRDKOV-QGZVFWFLSA-N 1 0 318.373 2.206 10 30 DEEERO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2cnccc2C#N)C1 ZINC000596552120 358711113 /nfs/dbraw/zinc/71/11/13/358711113.db2.gz QLVYOCWGAXSVHJ-SFHVURJKSA-N 1 0 321.428 2.181 10 30 DEEERO C=CC[N@@H+](CCc1ccco1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599366447 359479304 /nfs/dbraw/zinc/47/93/04/359479304.db2.gz QLYUUWLYFILSHC-MRXNPFEDSA-N 1 0 318.417 2.381 10 30 DEEERO C=CC[C@H](CO)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000186701833 199993779 /nfs/dbraw/zinc/99/37/79/199993779.db2.gz RVWDZGYBEPEKPJ-CQSZACIVSA-N 1 0 322.836 2.471 10 30 DEEERO C#CCOc1ccccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000188109184 200194654 /nfs/dbraw/zinc/19/46/54/200194654.db2.gz MPEXCLGFBNSTDA-LSDHHAIUSA-N 1 0 313.401 2.399 10 30 DEEERO C[NH+](C)[C@@]1(CNC(=O)NCC2CCC(C#N)CC2)CCSC1 ZINC000441004100 238001303 /nfs/dbraw/zinc/00/13/03/238001303.db2.gz PMGBHBQULHSDDS-ZBCRRDGASA-N 1 0 324.494 2.053 10 30 DEEERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3c[nH]c(C#N)c3)C1)CCCC2 ZINC000275739245 212511332 /nfs/dbraw/zinc/51/13/32/212511332.db2.gz TWHLEQBXJNTOFJ-HNNXBMFYSA-N 1 0 323.400 2.357 10 30 DEEERO C=CCOc1cccc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)c1 ZINC000623840181 365195535 /nfs/dbraw/zinc/19/55/35/365195535.db2.gz RDXKHEIRPDBMFL-KRWDZBQOSA-N 1 0 300.402 2.494 10 30 DEEERO [NH3+]CC#Cc1cnccc1C(=O)NCc1ccc(Cl)s1 ZINC000091463421 193059529 /nfs/dbraw/zinc/05/95/29/193059529.db2.gz MMHZFEJMYAQHTE-UHFFFAOYSA-N 1 0 305.790 2.037 10 30 DEEERO C=C[C@@H](O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968690 367029693 /nfs/dbraw/zinc/02/96/93/367029693.db2.gz JBWSWKSAYNXKEL-QWHCGFSZSA-N 1 0 317.216 2.259 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(C[C@@H](c2cccs2)[NH+](C)C)C1=O ZINC000630962674 367938046 /nfs/dbraw/zinc/93/80/46/367938046.db2.gz FNMRVPPXBXAFOV-NEPJUHHUSA-N 1 0 307.419 2.237 10 30 DEEERO [NH3+]CC#Cc1ccc(O[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000094408520 193367600 /nfs/dbraw/zinc/36/76/00/193367600.db2.gz DZLWFNUNJNZLIH-SJORKVTESA-N 1 0 303.427 2.430 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000105896363 194161648 /nfs/dbraw/zinc/16/16/48/194161648.db2.gz BTRIRFGFLKWLJZ-MRXNPFEDSA-N 1 0 316.449 2.283 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000057879203 184060605 /nfs/dbraw/zinc/06/06/05/184060605.db2.gz TYLOTPFGLHMTDM-CYBMUJFWSA-N 1 0 303.406 2.472 10 30 DEEERO COc1cc(C#N)ccc1OCc1[nH+]c(NN)ccc1Cl ZINC000061639567 184180256 /nfs/dbraw/zinc/18/02/56/184180256.db2.gz DVFAVTIHAFHEQO-UHFFFAOYSA-N 1 0 304.737 2.480 10 30 DEEERO C=C(C)COc1cccc(NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000066214117 184397353 /nfs/dbraw/zinc/39/73/53/184397353.db2.gz OQUJTKULGZBLJY-MRXNPFEDSA-N 1 0 304.390 2.349 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2OCC#N)C1 ZINC000158985596 197315993 /nfs/dbraw/zinc/31/59/93/197315993.db2.gz RWHSLQAFAOAYEX-HIFRSBDPSA-N 1 0 301.390 2.047 10 30 DEEERO COc1cc(C#N)ccc1OCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000158158185 197248251 /nfs/dbraw/zinc/24/82/51/197248251.db2.gz LCKJFKJLHQJQCE-GDBMZVCRSA-N 1 0 315.417 2.114 10 30 DEEERO CC[C@@H]1CN(C(=O)c2ccc(F)cc2C#CC[NH3+])CCS1 ZINC000157982553 197232666 /nfs/dbraw/zinc/23/26/66/197232666.db2.gz LGQDDBIIMUVDQU-CQSZACIVSA-N 1 0 306.406 2.104 10 30 DEEERO CC[C@H]1CN(C(=O)c2ccc(C)c(C#CC[NH3+])c2)CCS1 ZINC000157980914 197232357 /nfs/dbraw/zinc/23/23/57/197232357.db2.gz AILIJVXXEVPCBX-INIZCTEOSA-N 1 0 302.443 2.273 10 30 DEEERO Cc1cc(C(=O)NC[C@H]2CCCCS2)sc1C#CC[NH3+] ZINC000156567298 197123409 /nfs/dbraw/zinc/12/34/09/197123409.db2.gz KBGNVHQWNHQFEF-GFCCVEGCSA-N 1 0 308.472 2.382 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000121101267 195293523 /nfs/dbraw/zinc/29/35/23/195293523.db2.gz CQTKMKCUUIOHSW-UHFFFAOYSA-N 1 0 307.350 2.440 10 30 DEEERO CN(c1ccccc1C#N)c1nc(NN)[nH+]cc1Br ZINC000124748589 195675201 /nfs/dbraw/zinc/67/52/01/195675201.db2.gz ZFKLAEBJWFOFNQ-UHFFFAOYSA-N 1 0 319.166 2.164 10 30 DEEERO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000329873731 404479717 /nfs/dbraw/zinc/47/97/17/404479717.db2.gz CIUOWMZVKNPRMN-ZDUSSCGKSA-N 1 0 307.438 2.218 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000192001547 145068688 /nfs/dbraw/zinc/06/86/88/145068688.db2.gz VQOKMJYMMFQSJZ-AWEZNQCLSA-N 1 0 305.397 2.240 10 30 DEEERO Cc1c[nH+]ccc1N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192923898 145080508 /nfs/dbraw/zinc/08/05/08/145080508.db2.gz XZDSEANMBHBVJH-QGZVFWFLSA-N 1 0 306.369 2.475 10 30 DEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000246965335 145121139 /nfs/dbraw/zinc/12/11/39/145121139.db2.gz FWVSWWQJMVOUPX-BLLLJJGKSA-N 1 0 318.396 2.225 10 30 DEEERO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(C#N)cc1F ZINC000358575460 147159430 /nfs/dbraw/zinc/15/94/30/147159430.db2.gz SRJCUXVQJDNCIB-NSHDSACASA-N 1 0 310.394 2.173 10 30 DEEERO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000371766030 148138219 /nfs/dbraw/zinc/13/82/19/148138219.db2.gz ODIGTHPKCKIRFL-IRXDYDNUSA-N 1 0 300.402 2.310 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329898885 404488111 /nfs/dbraw/zinc/48/81/11/404488111.db2.gz MOWJZQZGHJLVKO-USXIJHARSA-N 1 0 322.449 2.425 10 30 DEEERO N#Cc1ccsc1NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128530286 401781447 /nfs/dbraw/zinc/78/14/47/401781447.db2.gz HKJZKAXEIKUWFD-CZUORRHYSA-N 1 0 319.430 2.185 10 30 DEEERO C=CCNC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115557938 401831939 /nfs/dbraw/zinc/83/19/39/401831939.db2.gz AQEGLACYKZEGDB-CYBMUJFWSA-N 1 0 306.381 2.360 10 30 DEEERO C[C@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)O1 ZINC000151036889 402012077 /nfs/dbraw/zinc/01/20/77/402012077.db2.gz MQWPPTDOVGIOOV-WMLDXEAASA-N 1 0 315.417 2.016 10 30 DEEERO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000055022693 402074221 /nfs/dbraw/zinc/07/42/21/402074221.db2.gz VWKANZDFRPDCCY-KRWDZBQOSA-N 1 0 305.397 2.354 10 30 DEEERO C[C@@H]1C[C@H](N(C)C(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1C ZINC000153038479 402123626 /nfs/dbraw/zinc/12/36/26/402123626.db2.gz BTYBPHLCJGNMRW-ZYHUDNBSSA-N 1 0 307.344 2.391 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886526 402210447 /nfs/dbraw/zinc/21/04/47/402210447.db2.gz KQXPZWITGFMELJ-UHFFFAOYSA-N 1 0 304.438 2.020 10 30 DEEERO COCC[N@@H+]1CCN(CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000159922651 402333735 /nfs/dbraw/zinc/33/37/35/402333735.db2.gz CQBVPZSFJTZJSJ-OAHLLOKOSA-N 1 0 306.837 2.344 10 30 DEEERO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)C[C@@H](C)O1 ZINC000245571846 402471619 /nfs/dbraw/zinc/47/16/19/402471619.db2.gz YBXNHTSQPHUTKC-RBSFLKMASA-N 1 0 303.406 2.225 10 30 DEEERO N#Cc1ccc2ncc(C[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)n2c1 ZINC000245811934 402490009 /nfs/dbraw/zinc/49/00/09/402490009.db2.gz ZMFFFBSNQINWBN-MAUKXSAKSA-N 1 0 310.401 2.333 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C#N)cc1F ZINC000247462874 402567379 /nfs/dbraw/zinc/56/73/79/402567379.db2.gz QZGICLDFHLJIOU-DOMZBBRYSA-N 1 0 316.380 2.075 10 30 DEEERO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000188940272 402528660 /nfs/dbraw/zinc/52/86/60/402528660.db2.gz VCHKCEVXKVMYGD-QGZVFWFLSA-N 1 0 320.396 2.208 10 30 DEEERO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000171551146 402593572 /nfs/dbraw/zinc/59/35/72/402593572.db2.gz CHURSKMDRQBOIX-KRWDZBQOSA-N 1 0 307.401 2.449 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000171719157 402614174 /nfs/dbraw/zinc/61/41/74/402614174.db2.gz JHWXSBYUUZSIFX-CQSZACIVSA-N 1 0 313.401 2.092 10 30 DEEERO CN1CC[NH+]([C@H]2CCCCN(CC#Cc3ccccc3)C2)CC1 ZINC000192118897 402712585 /nfs/dbraw/zinc/71/25/85/402712585.db2.gz ACQOEQYOPFWFPX-FQEVSTJZSA-N 1 0 311.473 2.140 10 30 DEEERO C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174853050 402760317 /nfs/dbraw/zinc/76/03/17/402760317.db2.gz IGJUDKFRUTXSGV-QGZVFWFLSA-N 1 0 306.498 2.418 10 30 DEEERO CN(C)C(=O)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1 ZINC000194407161 402795671 /nfs/dbraw/zinc/79/56/71/402795671.db2.gz YWINRAMGYODUEA-SFHVURJKSA-N 1 0 323.396 2.356 10 30 DEEERO C#Cc1ccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000279137222 402908381 /nfs/dbraw/zinc/90/83/81/402908381.db2.gz YVPLGBGGMHLCAL-FQEVSTJZSA-N 1 0 311.473 2.270 10 30 DEEERO C=CCN1CC[C@H](N2C[C@H](c3ccccc3)OC[C@@H]2C)C1=O ZINC000281919083 403104493 /nfs/dbraw/zinc/10/44/93/403104493.db2.gz HAFHKRNVTMSOKU-BHYGNILZSA-N 1 0 300.402 2.235 10 30 DEEERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3c[nH]c(C#N)c3)C1)CCCC2 ZINC000275739246 403120070 /nfs/dbraw/zinc/12/00/70/403120070.db2.gz TWHLEQBXJNTOFJ-OAHLLOKOSA-N 1 0 323.400 2.357 10 30 DEEERO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](CC)CC1 ZINC000293124854 403394475 /nfs/dbraw/zinc/39/44/75/403394475.db2.gz VPUZUOTTZPIWJG-UHFFFAOYSA-N 1 0 314.437 2.002 10 30 DEEERO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000347746103 403840906 /nfs/dbraw/zinc/84/09/06/403840906.db2.gz DUBPYUISXCKLPK-DJIMGWMZSA-N 1 0 317.433 2.058 10 30 DEEERO C=CCn1c(-c2cccnc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000289649873 403989966 /nfs/dbraw/zinc/98/99/66/403989966.db2.gz LOIDYHUNNGKYLY-GOEBONIOSA-N 1 0 324.432 2.199 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000320974990 404070757 /nfs/dbraw/zinc/07/07/57/404070757.db2.gz HAWGEGHWFQCVJJ-QWRGUYRKSA-N 1 0 320.216 2.260 10 30 DEEERO C[C@H](NC(=O)[C@@H]1COCCN1CC1CCC1)[C@@H]1CCCCO1 ZINC000329408182 404328349 /nfs/dbraw/zinc/32/83/49/404328349.db2.gz ZTTRZYDUDAVHFS-BPUTZDHNSA-N 1 0 310.438 2.401 10 30 DEEERO N#Cc1cnccc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000364316867 404345949 /nfs/dbraw/zinc/34/59/49/404345949.db2.gz UKCIHYNDIQSQKE-UHFFFAOYSA-N 1 0 306.413 2.494 10 30 DEEERO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2ccncc2C#N)C1 ZINC000364345525 404359259 /nfs/dbraw/zinc/35/92/59/404359259.db2.gz DRPZAUROCSAVMI-UHFFFAOYSA-N 1 0 322.412 2.248 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000342033885 404325458 /nfs/dbraw/zinc/32/54/58/404325458.db2.gz BUHSRAMXSSSAJM-ULQDDVLXSA-N 1 0 307.482 2.073 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000355784189 404366810 /nfs/dbraw/zinc/36/68/10/404366810.db2.gz OLIXQKGPPFSPDG-SJLPKXTDSA-N 1 0 306.450 2.468 10 30 DEEERO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)C[NH+]1CCCC1 ZINC000330218379 404589695 /nfs/dbraw/zinc/58/96/95/404589695.db2.gz OQUCXUASLDAFSR-IIAWOOMASA-N 1 0 320.437 2.186 10 30 DEEERO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000373268956 404536463 /nfs/dbraw/zinc/53/64/63/404536463.db2.gz RJAXJKSGYXAXPR-HNNXBMFYSA-N 1 0 309.431 2.399 10 30 DEEERO C[C@H]1OCC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000330188143 404577740 /nfs/dbraw/zinc/57/77/40/404577740.db2.gz KWZWMDPYBWVCJA-VNQPRFMTSA-N 1 0 309.454 2.465 10 30 DEEERO C=CCC[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)C1CC1 ZINC000358141486 404755250 /nfs/dbraw/zinc/75/52/50/404755250.db2.gz PKRPOTGLIAOQOS-SFHVURJKSA-N 1 0 319.493 2.265 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000358283336 404758986 /nfs/dbraw/zinc/75/89/86/404758986.db2.gz UJENTXSFYCNMMX-ZBFHGGJFSA-N 1 0 309.454 2.020 10 30 DEEERO C=C(C)Cn1c(CC2CC2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359248399 404788137 /nfs/dbraw/zinc/78/81/37/404788137.db2.gz BYOXFDWHXWBCJQ-MRXNPFEDSA-N 1 0 315.465 2.480 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1noc(CC)n1)C(C)C ZINC000359398378 404792732 /nfs/dbraw/zinc/79/27/32/404792732.db2.gz XEJVTZDOQNPWPA-ZDUSSCGKSA-N 1 0 306.410 2.060 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000415290631 404841524 /nfs/dbraw/zinc/84/15/24/404841524.db2.gz DFGCZEBDSOVBJW-CQSZACIVSA-N 1 0 315.417 2.037 10 30 DEEERO C=CCOCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000361101620 404918985 /nfs/dbraw/zinc/91/89/85/404918985.db2.gz CABBNCYCJGYESW-UHFFFAOYSA-N 1 0 309.454 2.143 10 30 DEEERO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000434739128 404931398 /nfs/dbraw/zinc/93/13/98/404931398.db2.gz TXNOLRVZBAFMNG-CABCVRRESA-N 1 0 300.468 2.231 10 30 DEEERO N#Cc1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000408232449 405148056 /nfs/dbraw/zinc/14/80/56/405148056.db2.gz OGTLWCDNBSHAQC-AWEZNQCLSA-N 1 0 323.356 2.299 10 30 DEEERO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419156943 405225433 /nfs/dbraw/zinc/22/54/33/405225433.db2.gz UFUKKRVQMIEWQZ-ZIAGYGMSSA-N 1 0 317.433 2.184 10 30 DEEERO C=CCC1(CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CCCC1 ZINC000419504737 405253667 /nfs/dbraw/zinc/25/36/67/405253667.db2.gz HJYOZOVYUDCODP-HOTGVXAUSA-N 1 0 323.481 2.219 10 30 DEEERO COc1cc(C[NH2+]CC(=O)NC2CCCCC2)ccc1C#N ZINC000440823354 405328255 /nfs/dbraw/zinc/32/82/55/405328255.db2.gz FNQCRPFTKLMTBV-UHFFFAOYSA-N 1 0 301.390 2.105 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000441053539 405333161 /nfs/dbraw/zinc/33/31/61/405333161.db2.gz WICRXVRQKIBBBC-MRXNPFEDSA-N 1 0 323.481 2.269 10 30 DEEERO C=CCn1c(N2CCC[N@@H+](CC)CC2)nnc1[C@]1(C)CCCO1 ZINC000453433045 405291856 /nfs/dbraw/zinc/29/18/56/405291856.db2.gz CGTZYAMZRWFEEK-KRWDZBQOSA-N 1 0 319.453 2.022 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000448588268 405423929 /nfs/dbraw/zinc/42/39/29/405423929.db2.gz ATNLWRUFBWQFHK-UHFFFAOYSA-N 1 0 302.422 2.281 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000446138721 405374321 /nfs/dbraw/zinc/37/43/21/405374321.db2.gz PEGZBUAYOGROGN-ZNMIVQPWSA-N 1 0 309.454 2.234 10 30 DEEERO Cn1c(C#N)ccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000448732587 405442558 /nfs/dbraw/zinc/44/25/58/405442558.db2.gz DJCCHYHWYQDPAH-UHFFFAOYSA-N 1 0 312.373 2.089 10 30 DEEERO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C#N)n1C)c1ccco1 ZINC000448808112 405450700 /nfs/dbraw/zinc/45/07/00/405450700.db2.gz BVRIBJJXGHXYFU-HNNXBMFYSA-N 1 0 314.389 2.303 10 30 DEEERO C=CCCO[C@@H](C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634090313 406000153 /nfs/dbraw/zinc/00/01/53/406000153.db2.gz WXTADKIXBKCSPP-ZDUSSCGKSA-N 1 0 306.410 2.070 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC(COC)(C3CC3)C2)CC1 ZINC000636741176 406068752 /nfs/dbraw/zinc/06/87/52/406068752.db2.gz GLWBQPBOGWRAJB-UHFFFAOYSA-N 1 0 321.465 2.095 10 30 DEEERO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000639642696 406184824 /nfs/dbraw/zinc/18/48/24/406184824.db2.gz VGJHKCADPADXSE-QAPCUYQASA-N 1 0 323.433 2.062 10 30 DEEERO C=CC(C)(C)CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637190861 406205797 /nfs/dbraw/zinc/20/57/97/406205797.db2.gz MACQAEMCLHCAGV-UHFFFAOYSA-N 1 0 305.426 2.484 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000633015192 406353482 /nfs/dbraw/zinc/35/34/82/406353482.db2.gz BJIFBUFQRSDRKB-UHFFFAOYSA-N 1 0 303.406 2.192 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000633040078 406360197 /nfs/dbraw/zinc/36/01/97/406360197.db2.gz GLPPHPOBVUJEHA-IAGOWNOFSA-N 1 0 321.465 2.284 10 30 DEEERO C=CC[C@@H](C)NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638008879 406521766 /nfs/dbraw/zinc/52/17/66/406521766.db2.gz JLOPFCYAZSRWML-MRXNPFEDSA-N 1 0 315.461 2.451 10 30 DEEERO C=CC[C@H](CO)C[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000491332088 406570706 /nfs/dbraw/zinc/57/07/06/406570706.db2.gz GRWPCHQZSFMUJW-AWEZNQCLSA-N 1 0 313.401 2.426 10 30 DEEERO C=C(C)CN1CCC([NH2+]C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000573437464 406773008 /nfs/dbraw/zinc/77/30/08/406773008.db2.gz BQHRUJHZWABSOI-SFHVURJKSA-N 1 0 318.461 2.365 10 30 DEEERO C=CCNC(=O)[C@H](C)[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000128971945 196008048 /nfs/dbraw/zinc/00/80/48/196008048.db2.gz IAQXYPKLNDTDIW-ZDUSSCGKSA-N 1 0 305.397 2.393 10 30 DEEERO C#CC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000129024740 196013308 /nfs/dbraw/zinc/01/33/08/196013308.db2.gz AELBZFRKTWVRAE-SNVBAGLBSA-N 1 0 301.571 2.392 10 30 DEEERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Br)cc1C#N ZINC000132454065 196257089 /nfs/dbraw/zinc/25/70/89/196257089.db2.gz MOPMTFIEDWNRPF-GZMMTYOYSA-N 1 0 308.179 2.257 10 30 DEEERO COCc1nc(Nc2cc(Cl)ccc2C#N)cc(NN)[nH+]1 ZINC000133000762 196303984 /nfs/dbraw/zinc/30/39/84/196303984.db2.gz HFSXYLCCUJYADJ-UHFFFAOYSA-N 1 0 304.741 2.177 10 30 DEEERO Cc1cc(Nc2ccc(Br)cc2C#N)nc(NN)[nH+]1 ZINC000133056542 196308149 /nfs/dbraw/zinc/30/81/49/196308149.db2.gz IDXZJXKNQYZYSW-UHFFFAOYSA-N 1 0 319.166 2.448 10 30 DEEERO [NH2+]=C(NCC[C@@H]1CCOC1)Nc1ccc2c(c1)OCCCO2 ZINC000262268149 225267564 /nfs/dbraw/zinc/26/75/64/225267564.db2.gz SJUKWVTZOUAHDA-GFCCVEGCSA-N 1 0 305.378 2.001 10 30 DEEERO [NH2+]=C(NC[C@H]1CCC[C@@H]1O)Nc1cccc(OC(F)(F)F)c1 ZINC000262367358 225270104 /nfs/dbraw/zinc/27/01/04/225270104.db2.gz KTWAEAMPJYQSNU-SKDRFNHKSA-N 1 0 317.311 2.473 10 30 DEEERO [NH2+]=C(NC[C@H]1CCCO1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000262861083 225287840 /nfs/dbraw/zinc/28/78/40/225287840.db2.gz ZIXZLCYHNKLIMA-UHIISALHSA-N 1 0 311.788 2.418 10 30 DEEERO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(C)c2C)c1C#N ZINC000538055798 421736546 /nfs/dbraw/zinc/73/65/46/421736546.db2.gz MQXZXZLGHHCGKD-UHFFFAOYSA-N 1 0 317.418 2.364 10 30 DEEERO N#Cc1cccc(OCCC[N@H+]2CCSC[C@H]2CCO)c1 ZINC000357317900 268273353 /nfs/dbraw/zinc/27/33/53/268273353.db2.gz QYDFAUBCYMFSTM-OAHLLOKOSA-N 1 0 306.431 2.127 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000435740743 273483656 /nfs/dbraw/zinc/48/36/56/273483656.db2.gz LOJADIKJUXIQBV-HOCLYGCPSA-N 1 0 300.406 2.417 10 30 DEEERO C[C@@H](O)C[N@@H+]1CCN(CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000159912053 274269693 /nfs/dbraw/zinc/26/96/93/274269693.db2.gz IUGOTUYUFUXSGY-LSDHHAIUSA-N 1 0 306.837 2.078 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504892 276859428 /nfs/dbraw/zinc/85/94/28/276859428.db2.gz NHIWTDAIKSEPLN-OAHLLOKOSA-N 1 0 318.465 2.413 10 30 DEEERO C=CC[C@H](CO)C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000346625565 276909818 /nfs/dbraw/zinc/90/98/18/276909818.db2.gz PYCOLUJWBGCBCX-SUMWQHHRSA-N 1 0 301.365 2.479 10 30 DEEERO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccn2)[C@@H]1c1cccnc1 ZINC000328638438 277134299 /nfs/dbraw/zinc/13/42/99/277134299.db2.gz WJIYMGAUYSEHEJ-HOCLYGCPSA-N 1 0 311.389 2.496 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@]3(CCOC3)C2)CC1 ZINC000454454346 277775601 /nfs/dbraw/zinc/77/56/01/277775601.db2.gz ATWPWGQSUJKICD-SFHVURJKSA-N 1 0 321.465 2.239 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000346394814 277792354 /nfs/dbraw/zinc/79/23/54/277792354.db2.gz SMMNRAISEXOXBO-IKGGRYGDSA-N 1 0 306.450 2.158 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000124031444 277868088 /nfs/dbraw/zinc/86/80/88/277868088.db2.gz SNGPADAXARRQPD-QWHCGFSZSA-N 1 0 303.406 2.300 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000173050618 279589339 /nfs/dbraw/zinc/58/93/39/279589339.db2.gz JRJYFUFFSJIWDH-KBPBESRZSA-N 1 0 317.433 2.418 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000081571923 281605719 /nfs/dbraw/zinc/60/57/19/281605719.db2.gz CWDJJFPUYJPJFY-INIZCTEOSA-N 1 0 314.364 2.069 10 30 DEEERO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000172253378 301490302 /nfs/dbraw/zinc/49/03/02/301490302.db2.gz BEGIMPJDCMTQHD-OAHLLOKOSA-N 1 0 323.462 2.121 10 30 DEEERO Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCN1C ZINC000329018253 303096344 /nfs/dbraw/zinc/09/63/44/303096344.db2.gz KWZGDQBZPLQPHL-LJIGWXMPSA-N 1 0 301.438 2.085 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(CO)c(F)c3)n2c1 ZINC000172339074 325728417 /nfs/dbraw/zinc/72/84/17/325728417.db2.gz NZPVQJVRRKXDQK-UHFFFAOYSA-N 1 0 310.332 2.127 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CO)[C@H](C)CCC)CC1 ZINC000518777889 333161971 /nfs/dbraw/zinc/16/19/71/333161971.db2.gz BLSIWKUTQCGLLA-ZBFHGGJFSA-N 1 0 311.470 2.123 10 30 DEEERO C=CCCC[C@H](C)[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000521426595 333381256 /nfs/dbraw/zinc/38/12/56/333381256.db2.gz IVMMXKGVEDJSPN-UONOGXRCSA-N 1 0 307.390 2.489 10 30 DEEERO C=CCNC(=O)Nc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000582846201 337207051 /nfs/dbraw/zinc/20/70/51/337207051.db2.gz CUSFMSQLVLADRE-MRXNPFEDSA-N 1 0 302.378 2.075 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000516760055 340455292 /nfs/dbraw/zinc/45/52/92/340455292.db2.gz OMOMBTXNNGEDKJ-NOLJZWGESA-N 1 0 309.431 2.332 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000542321995 341005071 /nfs/dbraw/zinc/00/50/71/341005071.db2.gz FAZLOPQLVOAWCW-HOCLYGCPSA-N 1 0 315.417 2.185 10 30 DEEERO C=CCCCCCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000566435556 341558275 /nfs/dbraw/zinc/55/82/75/341558275.db2.gz VFZFFDROTHQDDW-UHFFFAOYSA-N 1 0 311.470 2.485 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCC[C@H](C(F)(F)F)C2)CCO1 ZINC000262456358 534271145 /nfs/dbraw/zinc/27/11/45/534271145.db2.gz LHFIDSNXJUKNJT-UTUOFQBUSA-N 1 0 307.360 2.391 10 30 DEEERO Cc1cc(C#N)ccc1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160269487 526190497 /nfs/dbraw/zinc/19/04/97/526190497.db2.gz FGHSBPWVFWJENT-GASCZTMLSA-N 1 0 315.417 2.096 10 30 DEEERO C=CCNC(N[C@H]1CCN(c2ncccc2Cl)C1)=[NH+]CC ZINC000261999668 526387204 /nfs/dbraw/zinc/38/72/04/526387204.db2.gz UAWFXJSRJFTLIA-LBPRGKRZSA-N 1 0 307.829 2.055 10 30 DEEERO C[NH+]=C(NCc1ccnn1C)NCc1nc(C(C)C)c(C)s1 ZINC000262782170 526387378 /nfs/dbraw/zinc/38/73/78/526387378.db2.gz LMKBTPZYQUBXDQ-UHFFFAOYSA-N 1 0 320.466 2.174 10 30 DEEERO C[NH+]=C(NCc1nnc2ccccn21)N1CC[C@H](CC(C)C)C1 ZINC000262500935 526392753 /nfs/dbraw/zinc/39/27/53/526392753.db2.gz YHEXDZFRKRGXPD-CQSZACIVSA-N 1 0 314.437 2.173 10 30 DEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCN(c2cc(F)ccc2F)CC1 ZINC000261820708 526394406 /nfs/dbraw/zinc/39/44/06/526394406.db2.gz UJMIRUNVYXYQRA-SMDDNHRTSA-N 1 0 308.376 2.071 10 30 DEEERO C[NH+]=C(NCc1ccoc1)NC[C@@H](O)c1ccc(Cl)s1 ZINC000263184905 526415276 /nfs/dbraw/zinc/41/52/76/526415276.db2.gz WQBZXWKYFQHBLH-SNVBAGLBSA-N 1 0 313.810 2.393 10 30 DEEERO C=C(C)CNC(=[NH2+])NCCN1CCc2c(Cl)cccc2C1 ZINC000189386970 526575176 /nfs/dbraw/zinc/57/51/76/526575176.db2.gz VEWMFXLQOQPMHM-UHFFFAOYSA-N 1 0 306.841 2.179 10 30 DEEERO C=CCOc1ccc(CNC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000368623699 526876837 /nfs/dbraw/zinc/87/68/37/526876837.db2.gz LPBQZHBUNRZRNP-UHFFFAOYSA-N 1 0 315.417 2.241 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000417596194 526945044 /nfs/dbraw/zinc/94/50/44/526945044.db2.gz KWFQBPREYRBLRS-ZFWWWQNUSA-N 1 0 303.406 2.049 10 30 DEEERO C#CCOc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248132698 527096584 /nfs/dbraw/zinc/09/65/84/527096584.db2.gz ORKPUMDFKMKSJY-FUHWJXTLSA-N 1 0 312.413 2.255 10 30 DEEERO C#CCOc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000248132703 527096734 /nfs/dbraw/zinc/09/67/34/527096734.db2.gz ORKPUMDFKMKSJY-SJLPKXTDSA-N 1 0 312.413 2.255 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000340352488 527175704 /nfs/dbraw/zinc/17/57/04/527175704.db2.gz WTZIIFGFUGGFCW-INIZCTEOSA-N 1 0 323.481 2.039 10 30 DEEERO C=CCCC[C@@H](C)[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000340873073 527249403 /nfs/dbraw/zinc/24/94/03/527249403.db2.gz DCFYVFAISQFTMH-CABCVRRESA-N 1 0 314.437 2.380 10 30 DEEERO C=CCn1c([C@H](C)CC)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000337838307 527357016 /nfs/dbraw/zinc/35/70/16/527357016.db2.gz DHIHEBAEZDJVKB-CABCVRRESA-N 1 0 321.469 2.135 10 30 DEEERO CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=[NH2+])N(C)C)O[C@@H](C)C2 ZINC000262515222 528349639 /nfs/dbraw/zinc/34/96/39/528349639.db2.gz GBUPVDOQVNGPIS-VHRBIJSZSA-N 1 0 303.406 2.141 10 30 DEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CCOc2ccccc21 ZINC000262757816 528809524 /nfs/dbraw/zinc/80/95/24/528809524.db2.gz CBYWCSDDSVPGFU-BPUTZDHNSA-N 1 0 317.433 2.226 10 30 DEEERO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000371766031 535648110 /nfs/dbraw/zinc/64/81/10/535648110.db2.gz ODIGTHPKCKIRFL-SJORKVTESA-N 1 0 300.402 2.310 10 30 DEEERO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2C[NH2+]C[C@H](C=O)C2)CC1 ZINC000675059416 563910185 /nfs/dbraw/zinc/91/01/85/563910185.db2.gz HRRZJNZYIHDQOL-QLFBSQMISA-N 1 0 310.438 2.448 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc2c1OCCO2 ZINC000121428487 649978934 /nfs/dbraw/zinc/97/89/34/649978934.db2.gz ZSDXSTFJTJSICN-CQSZACIVSA-N 1 0 317.385 2.348 10 30 DEEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)C[C@@H]1CCOC1 ZINC000176101352 624625399 /nfs/dbraw/zinc/62/53/99/624625399.db2.gz CLZUIBUUDXARDW-HNNXBMFYSA-N 1 0 311.389 2.051 10 30 DEEERO N#Cc1ccc(OCCC[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000177278096 625900400 /nfs/dbraw/zinc/90/04/00/625900400.db2.gz HFKUDIQFPMCQKJ-AWEZNQCLSA-N 1 0 314.307 2.326 10 30 DEEERO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747445065 638437399 /nfs/dbraw/zinc/43/73/99/638437399.db2.gz RWJIONMKULTGJA-HNNXBMFYSA-N 1 0 301.390 2.057 10 30 DEEERO C#CCN1CCC[C@H]1C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000752511389 639191476 /nfs/dbraw/zinc/19/14/76/639191476.db2.gz KGSHRYLHZYRWBH-DEICHXMPSA-N 1 0 312.413 2.153 10 30 DEEERO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCN(CC)C2=O)c(O)c1 ZINC000801646019 645426759 /nfs/dbraw/zinc/42/67/59/645426759.db2.gz KEJOPNQUBKWDMP-GYZOOYGHSA-N 1 0 303.406 2.278 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]C[C@H]3CSCCS3)n2c1 ZINC000151133210 646274048 /nfs/dbraw/zinc/27/40/48/646274048.db2.gz UEVYJJNSFOUZFW-ZDUSSCGKSA-N 1 0 304.444 2.144 10 30 DEEERO CC(C)CNC(=[NH2+])NCc1cccc(COC2CCOCC2)c1 ZINC000304761389 685259809 /nfs/dbraw/zinc/25/98/09/685259809.db2.gz UJWORSGYQYNSDP-UHFFFAOYSA-N 1 0 319.449 2.443 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC000121704978 684108304 /nfs/dbraw/zinc/10/83/04/684108304.db2.gz DYIKVHYOPRSYME-HRCADAONSA-N 1 0 323.433 2.243 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=[NH2+])N2CCC[C@@H](C)C2)C12CCOCC2 ZINC000248638893 685163329 /nfs/dbraw/zinc/16/33/29/685163329.db2.gz MIVYNGCAZRHZQL-QLFBSQMISA-N 1 0 309.454 2.007 10 30 DEEERO Cc1cccc(NC(=[NH2+])NC[C@H](O)COc2cccc(C)c2)c1 ZINC000303866615 685236326 /nfs/dbraw/zinc/23/63/26/685236326.db2.gz CNVPGIKJCUUUPR-INIZCTEOSA-N 1 0 313.401 2.470 10 30 DEEERO C=CCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)NCC)C2)c1 ZINC000152782186 795818225 /nfs/dbraw/zinc/81/82/25/795818225.db2.gz LFMCKMRPTNQRKN-OAHLLOKOSA-N 1 0 303.406 2.145 10 30 DEEERO [NH3+]CC#Cc1ccsc1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000088436904 185250292 /nfs/dbraw/zinc/25/02/92/185250292.db2.gz SOHPNAIUYKLZND-UHFFFAOYSA-N 1 0 316.348 2.473 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000613209876 362039831 /nfs/dbraw/zinc/03/98/31/362039831.db2.gz LLXSSTOXKWXNLX-HOTGVXAUSA-N 1 0 316.449 2.469 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1cc(Br)ccc1N(C)C ZINC000092474179 185320771 /nfs/dbraw/zinc/32/07/71/185320771.db2.gz BXJDQKLJQQDBIE-UHFFFAOYSA-N 1 0 312.211 2.229 10 30 DEEERO C=CC[NH2+]CC(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000092473982 185320858 /nfs/dbraw/zinc/32/08/58/185320858.db2.gz LRXMEYBQIAGMRQ-LLVKDONJSA-N 1 0 311.223 2.272 10 30 DEEERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2OCC#N)C1 ZINC000252671457 529799226 /nfs/dbraw/zinc/79/92/26/529799226.db2.gz VUUTZXRKHCMJHF-GOEBONIOSA-N 1 0 313.401 2.145 10 30 DEEERO N#Cc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)nc2ccccc12 ZINC000078405393 539367143 /nfs/dbraw/zinc/36/71/43/539367143.db2.gz FKVAETKZCQKWLK-HNNXBMFYSA-N 1 0 322.412 2.265 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2OC)C1 ZINC000625704064 365876559 /nfs/dbraw/zinc/87/65/59/365876559.db2.gz RRHNZNHMXOKNRK-WBVHZDCISA-N 1 0 305.418 2.471 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)COCc2cccc(OC)c2)C1 ZINC000625704571 365876709 /nfs/dbraw/zinc/87/67/09/365876709.db2.gz VBUVEMPOQUWVHG-NVXWUHKLSA-N 1 0 305.418 2.471 10 30 DEEERO C[C@@H]1[C@H](C)SCCN1C(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000133670354 186005248 /nfs/dbraw/zinc/00/52/48/186005248.db2.gz FCMOMANYTQOKEQ-NEPJUHHUSA-N 1 0 306.406 2.102 10 30 DEEERO Cc1cc(C(=O)N2CCS[C@H](C)[C@@H]2C)ccc1C#CC[NH3+] ZINC000133667970 186005297 /nfs/dbraw/zinc/00/52/97/186005297.db2.gz DYKFAWZBLLKSOF-UONOGXRCSA-N 1 0 302.443 2.271 10 30 DEEERO C[C@H](C[C@H]1COCC[NH2+]1)Nc1ccc(C#N)cc1Br ZINC000133682469 186006433 /nfs/dbraw/zinc/00/64/33/186006433.db2.gz NNOIZROBVGWOGR-PWSUYJOCSA-N 1 0 324.222 2.500 10 30 DEEERO C=CCN(C(C)(C)C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139264650 186020758 /nfs/dbraw/zinc/02/07/58/186020758.db2.gz SAYIGNALJYKDHE-UHFFFAOYSA-N 1 0 318.389 2.399 10 30 DEEERO C=C(C)C[N@@H+](CC)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000073603400 354971314 /nfs/dbraw/zinc/97/13/14/354971314.db2.gz OQTRABWFXPYLLW-UHFFFAOYSA-N 1 0 312.417 2.387 10 30 DEEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CC=CCC2)c1 ZINC000163081724 355972108 /nfs/dbraw/zinc/97/21/08/355972108.db2.gz XHRZMZQARLQWHJ-AWEZNQCLSA-N 1 0 304.415 2.278 10 30 DEEERO Cc1cc(C)[n+](CCOS(=O)(=O)c2ccccc2)c(C)c1 ZINC000005378618 181236351 /nfs/dbraw/zinc/23/63/51/181236351.db2.gz NHSAFRPQHKRWFB-UHFFFAOYSA-N 1 0 306.407 2.305 10 30 DEEERO CCOC(=O)c1ccc(C[NH2+]CCOc2ccc(C#N)cc2)o1 ZINC000182480790 356128603 /nfs/dbraw/zinc/12/86/03/356128603.db2.gz PCPZKVCMEBNAQM-UHFFFAOYSA-N 1 0 314.341 2.497 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CC)c1csc(C)c1 ZINC000592188386 357848124 /nfs/dbraw/zinc/84/81/24/357848124.db2.gz OKZRMRVZYTTXHS-YPMHNXCESA-N 1 0 309.435 2.498 10 30 DEEERO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595922162 358582222 /nfs/dbraw/zinc/58/22/22/358582222.db2.gz YTKIDVOMUZSKAM-OLZOCXBDSA-N 1 0 324.446 2.436 10 30 DEEERO C=CC[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000595952880 358585977 /nfs/dbraw/zinc/58/59/77/358585977.db2.gz BULAQRWVABAQRO-INIZCTEOSA-N 1 0 303.362 2.218 10 30 DEEERO C=CC[C@]1(C(=O)N2CCC[C@H](CCC(=O)OCC)C2)CCC[NH2+]1 ZINC000595955620 358586569 /nfs/dbraw/zinc/58/65/69/358586569.db2.gz BZQCCQPKQJYYSV-CRAIPNDOSA-N 1 0 322.449 2.267 10 30 DEEERO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1=O ZINC000597121412 358828305 /nfs/dbraw/zinc/82/83/05/358828305.db2.gz KSROUKGHHHMBSM-QGZVFWFLSA-N 1 0 309.413 2.460 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000628125488 366729775 /nfs/dbraw/zinc/72/97/75/366729775.db2.gz BOLBNTBKCZGFKU-IRXDYDNUSA-N 1 0 307.482 2.123 10 30 DEEERO C=CC[C@@H](C)NC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000623623166 365105782 /nfs/dbraw/zinc/10/57/82/365105782.db2.gz BFMMFZLSUWYCBT-OAHLLOKOSA-N 1 0 309.454 2.237 10 30 DEEERO CC(C)c1csc(NC(=O)c2ccncc2C#CC[NH3+])n1 ZINC000091462307 193059223 /nfs/dbraw/zinc/05/92/23/193059223.db2.gz USEHVSHIAYUMLJ-UHFFFAOYSA-N 1 0 300.387 2.224 10 30 DEEERO C=CCSc1ccccc1C(=O)NC[C@@H]1COCCN1C ZINC000628914413 367008876 /nfs/dbraw/zinc/00/88/76/367008876.db2.gz JGHBPXFOODISDG-CYBMUJFWSA-N 1 0 306.431 2.025 10 30 DEEERO C=CC[C@H]1[N@@H+](C[C@@H](O)CC2(O)CCOCC2)CCCC1(C)C ZINC000630040768 367449008 /nfs/dbraw/zinc/44/90/08/367449008.db2.gz JJJUAXVORLCEMC-JKSUJKDBSA-N 1 0 311.466 2.346 10 30 DEEERO C[C@@H](NC(=O)c1ccc(C#N)n1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000450705470 242125515 /nfs/dbraw/zinc/12/55/15/242125515.db2.gz XHARVJDODBOYGK-DYVFJYSZSA-N 1 0 310.401 2.318 10 30 DEEERO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@@H]1CCCO1 ZINC000193126535 296143059 /nfs/dbraw/zinc/14/30/59/296143059.db2.gz OHVHMGWDWSFYKI-VYDXJSESSA-N 1 0 315.417 2.479 10 30 DEEERO N#Cc1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)o1 ZINC000093532104 193265374 /nfs/dbraw/zinc/26/53/74/193265374.db2.gz FVPFLDUMJIOZOM-UHFFFAOYSA-N 1 0 301.390 2.376 10 30 DEEERO [NH3+]CC#Cc1cc(C(=O)NCCc2ccc(F)cc2)cs1 ZINC000093975620 193333079 /nfs/dbraw/zinc/33/30/79/193333079.db2.gz CJGWKWUPAAVCFB-UHFFFAOYSA-N 1 0 302.374 2.170 10 30 DEEERO CS(=O)(=O)c1cccc(OCc2ccc(C#CC[NH3+])s2)c1 ZINC000043685307 183380343 /nfs/dbraw/zinc/38/03/43/183380343.db2.gz FFMARHHHDNYRQH-UHFFFAOYSA-N 1 0 321.423 2.041 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnn2CCC)CC1 ZINC000106252914 194192222 /nfs/dbraw/zinc/19/22/22/194192222.db2.gz SSCPSGZSKFWLAN-UHFFFAOYSA-N 1 0 305.426 2.455 10 30 DEEERO COCC[C@H]([NH3+])C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000052809903 183874114 /nfs/dbraw/zinc/87/41/14/183874114.db2.gz ZEVWDIRTVVPCOP-LBPRGKRZSA-N 1 0 307.419 2.191 10 30 DEEERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1cnc(C#N)n1 ZINC000061841902 184189612 /nfs/dbraw/zinc/18/96/12/184189612.db2.gz QZASMBBUSQSHBA-DGCLKSJQSA-N 1 0 320.194 2.239 10 30 DEEERO C[NH2+]C[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000063168863 184275838 /nfs/dbraw/zinc/27/58/38/184275838.db2.gz NITKNPBBWJCFGV-CYBMUJFWSA-N 1 0 306.435 2.022 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000066224453 184397725 /nfs/dbraw/zinc/39/77/25/184397725.db2.gz LTOYXOUWEBAKJZ-UHFFFAOYSA-N 1 0 301.390 2.027 10 30 DEEERO CC1(C)C[N@H+](CCOc2ccc(C#CCO)cc2)CCS1 ZINC000159055637 197323037 /nfs/dbraw/zinc/32/30/37/197323037.db2.gz YKXYDOFBUPDSNO-UHFFFAOYSA-N 1 0 305.443 2.237 10 30 DEEERO CC1(C)CN(C(=O)c2cc(F)ccc2C#CC[NH3+])CCS1 ZINC000159028272 197319622 /nfs/dbraw/zinc/31/96/22/197319622.db2.gz WJIWRNMSLOPZSX-UHFFFAOYSA-N 1 0 306.406 2.104 10 30 DEEERO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(C#N)cc1F ZINC000540976170 285149201 /nfs/dbraw/zinc/14/92/01/285149201.db2.gz JGMHMGCUAMATMA-LLVKDONJSA-N 1 0 310.394 2.173 10 30 DEEERO C[C@@H](NC(=O)[C@H]1CCCCS1)c1cccc(C#CC[NH3+])c1 ZINC000156281021 197100913 /nfs/dbraw/zinc/10/09/13/197100913.db2.gz NKPIZZIMSQPBAE-CZUORRHYSA-N 1 0 302.443 2.460 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccccc1C#N ZINC000247076171 145126128 /nfs/dbraw/zinc/12/61/28/145126128.db2.gz YVBWMOMFSDOANI-CVEARBPZSA-N 1 0 313.401 2.022 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128224254 401767814 /nfs/dbraw/zinc/76/78/14/401767814.db2.gz GEMIBECTDAKAEC-HZPDHXFCSA-N 1 0 304.438 2.381 10 30 DEEERO N#Cc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000128421387 401775894 /nfs/dbraw/zinc/77/58/94/401775894.db2.gz WSMACQMFDKGKBJ-SJORKVTESA-N 1 0 323.400 2.467 10 30 DEEERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccc(C#N)o1 ZINC000131581788 401852957 /nfs/dbraw/zinc/85/29/57/401852957.db2.gz FWMNRUFNFVZRHZ-LBPRGKRZSA-N 1 0 308.341 2.039 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000047146649 401979333 /nfs/dbraw/zinc/97/93/33/401979333.db2.gz AOQVSSNGSIGACO-LSDHHAIUSA-N 1 0 315.417 2.174 10 30 DEEERO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000123073405 402109048 /nfs/dbraw/zinc/10/90/48/402109048.db2.gz OCVJIKUCCQTMCR-YOEHRIQHSA-N 1 0 314.433 2.301 10 30 DEEERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1F ZINC000070787907 402264565 /nfs/dbraw/zinc/26/45/65/402264565.db2.gz UCTAHEWFCDQNCH-VXGBXAGGSA-N 1 0 307.369 2.245 10 30 DEEERO CC(C)(CCC#N)C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185070300 402322073 /nfs/dbraw/zinc/32/20/73/402322073.db2.gz KKXLDRKADSKYRV-UHFFFAOYSA-N 1 0 320.412 2.477 10 30 DEEERO C=CCCCN(C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000156390283 402282200 /nfs/dbraw/zinc/28/22/00/402282200.db2.gz DBOQFLJVTBTSSS-SJORKVTESA-N 1 0 323.481 2.362 10 30 DEEERO CC(C)[C@](C)(O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000184962708 402313022 /nfs/dbraw/zinc/31/30/22/402313022.db2.gz ODJZTJXLNVBWAN-GOSISDBHSA-N 1 0 301.434 2.477 10 30 DEEERO N#Cc1cccnc1-n1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000185998474 402396170 /nfs/dbraw/zinc/39/61/70/402396170.db2.gz COMNPYCEOQNEHB-GDBMZVCRSA-N 1 0 308.389 2.178 10 30 DEEERO Cc1cnn(C[C@@H]2CN(Cc3ccc(C#N)cc3C)CCO2)c1 ZINC000186216962 402411623 /nfs/dbraw/zinc/41/16/23/402411623.db2.gz QULYYEFSHSCGHK-SFHVURJKSA-N 1 0 310.401 2.273 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000177670175 402424915 /nfs/dbraw/zinc/42/49/15/402424915.db2.gz FZJIGQGCOHISLU-UHFFFAOYSA-N 1 0 322.412 2.423 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000177331210 402392087 /nfs/dbraw/zinc/39/20/87/402392087.db2.gz SGMLFLOZWMXRKY-OAHLLOKOSA-N 1 0 308.385 2.030 10 30 DEEERO COc1ccc2c(c1)CCC[C@@H]2CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000164309721 402461056 /nfs/dbraw/zinc/46/10/56/402461056.db2.gz ZBWULGQPAUSHFC-GDBMZVCRSA-N 1 0 317.433 2.198 10 30 DEEERO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178113451 402461581 /nfs/dbraw/zinc/46/15/81/402461581.db2.gz XTEHTAONZGWORI-HNNXBMFYSA-N 1 0 313.401 2.022 10 30 DEEERO N#Cc1ccccc1NC(=O)CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246256029 402520664 /nfs/dbraw/zinc/52/06/64/402520664.db2.gz XSYRZYTZAHXWDY-INIZCTEOSA-N 1 0 312.417 2.057 10 30 DEEERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000248067017 402581599 /nfs/dbraw/zinc/58/15/99/402581599.db2.gz PVPJDIGELMUHHW-DOTOQJQBSA-N 1 0 306.369 2.128 10 30 DEEERO C=CCCC[C@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000248487762 402593154 /nfs/dbraw/zinc/59/31/54/402593154.db2.gz LYSZYYVQJBTHKO-JYJNAYRXSA-N 1 0 311.470 2.218 10 30 DEEERO CN(Cc1ccccc1C#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589718 402598483 /nfs/dbraw/zinc/59/84/83/402598483.db2.gz LVKBDFRGMLGJGQ-UHFFFAOYSA-N 1 0 323.444 2.351 10 30 DEEERO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(S(N)(=O)=O)cc1 ZINC000181558547 402649604 /nfs/dbraw/zinc/64/96/04/402649604.db2.gz FRMRBYGZXFKNHQ-LBPRGKRZSA-N 1 0 309.435 2.315 10 30 DEEERO CC(C)CCOc1ccc([C@H](C)[NH2+]CC(=O)NCC#N)cc1 ZINC000181738671 402656114 /nfs/dbraw/zinc/65/61/14/402656114.db2.gz XZWPJEREDTZRMR-AWEZNQCLSA-N 1 0 303.406 2.402 10 30 DEEERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCSCC#N)C2)n1 ZINC000173886977 402716943 /nfs/dbraw/zinc/71/69/43/402716943.db2.gz ACDFTTFKEYXLSK-OAHLLOKOSA-N 1 0 307.467 2.254 10 30 DEEERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000182920897 402727188 /nfs/dbraw/zinc/72/71/88/402727188.db2.gz WPXDYSIPGGCQFF-SUMWQHHRSA-N 1 0 309.369 2.208 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000183406995 402764509 /nfs/dbraw/zinc/76/45/09/402764509.db2.gz DJEPFDRDDCZWMG-CABCVRRESA-N 1 0 311.470 2.123 10 30 DEEERO C[N@@H+]1CCO[C@H]2CCN(c3c(C#N)cnc4ccccc43)C[C@@H]21 ZINC000285214887 403279418 /nfs/dbraw/zinc/27/94/18/403279418.db2.gz XHNMZSDUCAAMCJ-IRXDYDNUSA-N 1 0 308.385 2.016 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NCC[NH+](CC)CC ZINC000287365961 403583716 /nfs/dbraw/zinc/58/37/16/403583716.db2.gz SIVSXIIQKWNWID-QGZVFWFLSA-N 1 0 301.434 2.262 10 30 DEEERO C[C@H]1C[N@@H+](C2CCN(c3ccc(Cl)c(C#N)n3)CC2)CCO1 ZINC000301504944 403639345 /nfs/dbraw/zinc/63/93/45/403639345.db2.gz GKLBGZQPZPDHNA-LBPRGKRZSA-N 1 0 320.824 2.296 10 30 DEEERO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000361724893 403825053 /nfs/dbraw/zinc/82/50/53/403825053.db2.gz DLYFLAHPXMNJQU-CABCVRRESA-N 1 0 317.433 2.263 10 30 DEEERO C#CCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000362365150 403948532 /nfs/dbraw/zinc/94/85/32/403948532.db2.gz QMSGXUGZXQBLBZ-FUHWJXTLSA-N 1 0 301.386 2.126 10 30 DEEERO C=CCN1CC[C@@H]([N@H+]2CCN(c3ccccc3)C[C@@H]2CC)C1=O ZINC000337205728 403972929 /nfs/dbraw/zinc/97/29/29/403972929.db2.gz LDRVBVIMSSLZSP-FUHWJXTLSA-N 1 0 313.445 2.374 10 30 DEEERO C[C@H](O)C[C@H]1CCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000328709040 404137354 /nfs/dbraw/zinc/13/73/54/404137354.db2.gz MIUSNPQEIKWAAI-NIOBXDJOSA-N 1 0 309.454 2.151 10 30 DEEERO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CO1 ZINC000329049746 404212344 /nfs/dbraw/zinc/21/23/44/404212344.db2.gz WCXQETZRDDANDF-HLPPOEQASA-N 1 0 320.437 2.185 10 30 DEEERO CCC(=O)N1CSC[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000329074670 404221116 /nfs/dbraw/zinc/22/11/16/404221116.db2.gz AAOCVXIDKSLXEF-CYBMUJFWSA-N 1 0 313.467 2.129 10 30 DEEERO C#CCCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1 ZINC000363414454 404159888 /nfs/dbraw/zinc/15/98/88/404159888.db2.gz NLCXBULVGCEFHY-YXJHDRRASA-N 1 0 312.413 2.188 10 30 DEEERO C[N@@H+]1CCC[C@@H]1CCN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000329158185 404247713 /nfs/dbraw/zinc/24/77/13/404247713.db2.gz CRUWHVXWQLEXRC-QMTMVMCOSA-N 1 0 324.428 2.466 10 30 DEEERO C=CCn1c(CC(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000351174082 404525808 /nfs/dbraw/zinc/52/58/08/404525808.db2.gz XFWOGVPOAZVLKS-GJZGRUSLSA-N 1 0 303.454 2.336 10 30 DEEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000330282218 404613236 /nfs/dbraw/zinc/61/32/36/404613236.db2.gz ALWVXYWSQFSGHR-DMRZNYOFSA-N 1 0 320.437 2.420 10 30 DEEERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330339508 404630715 /nfs/dbraw/zinc/63/07/15/404630715.db2.gz WSEAVZDOMSYAEI-QDEZUTFSSA-N 1 0 320.437 2.327 10 30 DEEERO C=C(CNC(=O)NC[C@H]1CCC[N@H+]1CCOC)c1ccccc1 ZINC000353108793 404744530 /nfs/dbraw/zinc/74/45/30/404744530.db2.gz HEFCFJHYKGAUIR-QGZVFWFLSA-N 1 0 317.433 2.110 10 30 DEEERO C=C(C)CN(CC)C(=O)CN1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000358362398 404760673 /nfs/dbraw/zinc/76/06/73/404760673.db2.gz CSWBFEWGPSEPQG-HNNXBMFYSA-N 1 0 323.481 2.038 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1n[nH]c(C)c1C)C(C)C ZINC000360026932 404812509 /nfs/dbraw/zinc/81/25/09/404812509.db2.gz AXFXTBJGZHXZNV-HNNXBMFYSA-N 1 0 304.438 2.455 10 30 DEEERO C#CCOc1ccccc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000360052357 404814044 /nfs/dbraw/zinc/81/40/44/404814044.db2.gz BBGRCFUGXBHJLX-AEFFLSMTSA-N 1 0 301.386 2.126 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000415415141 404860115 /nfs/dbraw/zinc/86/01/15/404860115.db2.gz HIAAXBAZXXZOQF-ZDUSSCGKSA-N 1 0 317.433 2.283 10 30 DEEERO C=CCCCCCN(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424128478 405015231 /nfs/dbraw/zinc/01/52/31/405015231.db2.gz REVSSQVDSJCBFX-AWEZNQCLSA-N 1 0 305.426 2.021 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000424171393 405027904 /nfs/dbraw/zinc/02/79/04/405027904.db2.gz KPBKKXFGUYOULU-JSGCOSHPSA-N 1 0 307.390 2.393 10 30 DEEERO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000408203269 405138975 /nfs/dbraw/zinc/13/89/75/405138975.db2.gz KUTJMFGHDRNXAW-VYDXJSESSA-N 1 0 321.465 2.320 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000425855638 405324702 /nfs/dbraw/zinc/32/47/02/405324702.db2.gz MOKPXLCGXFJRLX-BBWFWOEESA-N 1 0 321.465 2.237 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000425857796 405324901 /nfs/dbraw/zinc/32/49/01/405324901.db2.gz PVCOHYZQCVGAFJ-QXSJWSMHSA-N 1 0 309.454 2.092 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCC)CC[NH+]1CCCC1 ZINC000425883110 405326753 /nfs/dbraw/zinc/32/67/53/405326753.db2.gz VQCLKPISUZDHNC-HOTGVXAUSA-N 1 0 309.454 2.095 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000454554862 405363560 /nfs/dbraw/zinc/36/35/60/405363560.db2.gz XKZKQYNKZJJIEO-YEWFCNIMSA-N 1 0 315.461 2.490 10 30 DEEERO C[C@@H](CNC(=O)c1ccc(C#N)n1C)[N@@H+]1CCc2ccccc2C1 ZINC000448668598 405434213 /nfs/dbraw/zinc/43/42/13/405434213.db2.gz PAXBVSFJAQWRHL-AWEZNQCLSA-N 1 0 322.412 2.073 10 30 DEEERO C=CCc1ccc(OCC(=O)N[C@@H]2CC[NH2+][C@H]2CC)c(OC)c1 ZINC000638568777 405549198 /nfs/dbraw/zinc/54/91/98/405549198.db2.gz SBKZTIJNLKOQPK-LSDHHAIUSA-N 1 0 318.417 2.059 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)c2ncc3c(F)cccn32)CC1 ZINC000528449544 405611843 /nfs/dbraw/zinc/61/18/43/405611843.db2.gz NUNZXFXNUDDGLJ-UHFFFAOYSA-N 1 0 316.380 2.244 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000583504476 405750573 /nfs/dbraw/zinc/75/05/73/405750573.db2.gz SFSDMTNUBFNERJ-NVXWUHKLSA-N 1 0 307.434 2.499 10 30 DEEERO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C(C)C ZINC000494922995 405783967 /nfs/dbraw/zinc/78/39/67/405783967.db2.gz QAUORKOPCSIMLT-HZPDHXFCSA-N 1 0 307.482 2.332 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532124548 406047727 /nfs/dbraw/zinc/04/77/27/406047727.db2.gz UQLRPHFDQJKXHY-UONOGXRCSA-N 1 0 310.438 2.121 10 30 DEEERO C=CC[C@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000639347711 406060107 /nfs/dbraw/zinc/06/01/07/406060107.db2.gz KTNJFOYFBMHHOA-NSHDSACASA-N 1 0 314.838 2.385 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CC(OC(C)(C)CC)C2)CC1 ZINC000636740346 406069032 /nfs/dbraw/zinc/06/90/32/406069032.db2.gz PQGWDGFUUFZCQQ-UHFFFAOYSA-N 1 0 309.454 2.236 10 30 DEEERO C=CCCCCCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000565209689 406070737 /nfs/dbraw/zinc/07/07/37/406070737.db2.gz WFXCRQYLDDGHFO-UHFFFAOYSA-N 1 0 316.449 2.310 10 30 DEEERO C=CCN1CC[C@@H]([N@@H+](C)CC/C=C\c2cncc(OC)c2)C1=O ZINC000565477906 406073403 /nfs/dbraw/zinc/07/34/03/406073403.db2.gz UVBIAJVTFXQKLN-XTKXOIQPSA-N 1 0 315.417 2.212 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000632384450 406116144 /nfs/dbraw/zinc/11/61/44/406116144.db2.gz GMINZOCHMCYPHG-OAHLLOKOSA-N 1 0 323.481 2.038 10 30 DEEERO C=C(C)CC[N@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639702788 406211587 /nfs/dbraw/zinc/21/15/87/406211587.db2.gz URGUDCDCRRMDCT-HNNXBMFYSA-N 1 0 303.406 2.251 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCn3nccc32)CC1 ZINC000632987093 406346402 /nfs/dbraw/zinc/34/64/02/406346402.db2.gz XREUHLRJKYNDID-OAHLLOKOSA-N 1 0 317.437 2.058 10 30 DEEERO C=CCOc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000632875726 406302698 /nfs/dbraw/zinc/30/26/98/406302698.db2.gz NCKQDMOKQFWMTL-NVXWUHKLSA-N 1 0 300.402 2.466 10 30 DEEERO C=C(C)COCCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633122048 406386552 /nfs/dbraw/zinc/38/65/52/406386552.db2.gz RFRWLXNVIZZCBA-UHFFFAOYSA-N 1 0 309.454 2.239 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000637623729 406369758 /nfs/dbraw/zinc/36/97/58/406369758.db2.gz LMULWMZNQKIWRX-CVEARBPZSA-N 1 0 323.481 2.219 10 30 DEEERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000547716157 406436418 /nfs/dbraw/zinc/43/64/18/406436418.db2.gz AYEUYIHYTDXEEP-SUMWQHHRSA-N 1 0 309.413 2.189 10 30 DEEERO C=CCNC(=O)Nc1ccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000635176461 406449964 /nfs/dbraw/zinc/44/99/64/406449964.db2.gz PMTOWDMYTWNONX-CYBMUJFWSA-N 1 0 316.405 2.274 10 30 DEEERO C=C[C@@H](C)NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638002672 406518350 /nfs/dbraw/zinc/51/83/50/406518350.db2.gz KLABKJDFBVBYGU-OAHLLOKOSA-N 1 0 301.434 2.061 10 30 DEEERO C=CCCCCC[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000574171006 406780588 /nfs/dbraw/zinc/78/05/88/406780588.db2.gz KCCOKIHMBXKZKW-UHFFFAOYSA-N 1 0 309.498 2.119 10 30 DEEERO C[NH2+][C@@H](C)c1cc(Br)ccc1N1CCO[C@H](C#N)C1 ZINC000129024617 196013189 /nfs/dbraw/zinc/01/31/89/196013189.db2.gz NTXGMOKVULERFX-CMPLNLGQSA-N 1 0 324.222 2.458 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NCCc2nccs2)cc1Cl ZINC000129145095 196022764 /nfs/dbraw/zinc/02/27/64/196022764.db2.gz IYDIZHXGUOADEM-UHFFFAOYSA-N 1 0 319.817 2.079 10 30 DEEERO C#CC[C@@H](CC)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1 ZINC000131275466 196156811 /nfs/dbraw/zinc/15/68/11/196156811.db2.gz RVZOFHVINFAHCD-OAHLLOKOSA-N 1 0 308.447 2.265 10 30 DEEERO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(Br)cc1C#N ZINC000132464858 196258214 /nfs/dbraw/zinc/25/82/14/196258214.db2.gz WXWNWVNFEGWPAE-LLVKDONJSA-N 1 0 310.195 2.490 10 30 DEEERO C[C@@H]1C[NH2+]C[C@@H](COc2ccc(C#N)cc2Br)O1 ZINC000133509939 196331702 /nfs/dbraw/zinc/33/17/02/196331702.db2.gz PPVJNJNYBADJPP-KOLCDFICSA-N 1 0 311.179 2.076 10 30 DEEERO C[C@H]1C[NH2+]C[C@H](COc2ccc(C(F)(F)F)cc2C#N)O1 ZINC000133816759 196337860 /nfs/dbraw/zinc/33/78/60/196337860.db2.gz XXLCXCHJJOGPBJ-JOYOIKCWSA-N 1 0 300.280 2.333 10 30 DEEERO [NH2+]=C(NCc1ncc(C(F)(F)F)cn1)N1CCCCCC1 ZINC000263070608 225290559 /nfs/dbraw/zinc/29/05/59/225290559.db2.gz GQNCADHGPPCQKI-UHFFFAOYSA-N 1 0 301.316 2.186 10 30 DEEERO COc1cccc(OC(F)(F)F)c1CNC1=[NH+]CCCN1C ZINC000263117385 225290842 /nfs/dbraw/zinc/29/08/42/225290842.db2.gz LQBCKXXJESDMIB-UHFFFAOYSA-N 1 0 317.311 2.375 10 30 DEEERO C=CCNC(=O)c1ccc(NCC[N@@H+](C)C2CCCCC2)nc1 ZINC000357180911 424813972 /nfs/dbraw/zinc/81/39/72/424813972.db2.gz CHVAKDOLRJHBOV-UHFFFAOYSA-N 1 0 316.449 2.674 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000175567609 267521834 /nfs/dbraw/zinc/52/18/34/267521834.db2.gz RAGFAOHMZLSYPN-UHFFFAOYSA-N 1 0 322.412 2.423 10 30 DEEERO Cc1nnc(NCC2([N@H+](C)CCO)CCCCC2)c(C#N)c1C ZINC000301307499 268823868 /nfs/dbraw/zinc/82/38/68/268823868.db2.gz ZMNFUJSJOOFNEP-UHFFFAOYSA-N 1 0 317.437 2.004 10 30 DEEERO C[C@@H]1CN(c2cnc(C#N)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000324159427 268851249 /nfs/dbraw/zinc/85/12/49/268851249.db2.gz PLDCHMWJFZJPOQ-HNNXBMFYSA-N 1 0 307.401 2.307 10 30 DEEERO C=CCn1c(N2CC[NH+](C(C)C)CC2)nnc1[C@]1(C)CCCO1 ZINC000453431705 275435200 /nfs/dbraw/zinc/43/52/00/275435200.db2.gz APBCWDZYMSTUPI-KRWDZBQOSA-N 1 0 319.453 2.020 10 30 DEEERO CC[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@@H](C)C(C)C ZINC000158838425 276096057 /nfs/dbraw/zinc/09/60/57/276096057.db2.gz BGSUIKYQLIGUAY-KBXCAEBGSA-N 1 0 303.450 2.420 10 30 DEEERO C[NH+]=C(NCc1nccs1)N[C@H]1CCN(c2ccccc2)C1 ZINC000262923408 276844817 /nfs/dbraw/zinc/84/48/17/276844817.db2.gz ZMSXLEFWVXCULL-ZDUSSCGKSA-N 1 0 315.446 2.087 10 30 DEEERO C#CCSCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000121419371 277695888 /nfs/dbraw/zinc/69/58/88/277695888.db2.gz XEFBWTOFCBITFI-OAHLLOKOSA-N 1 0 309.479 2.013 10 30 DEEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1CCC[C@@H]1C#N ZINC000262447061 278169431 /nfs/dbraw/zinc/16/94/31/278169431.db2.gz VJXXVZRONSIQKK-JKJDWNRSSA-N 1 0 318.465 2.437 10 30 DEEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128225886 280503632 /nfs/dbraw/zinc/50/36/32/280503632.db2.gz LZIHAUFGJPJNCH-VYDXJSESSA-N 1 0 317.437 2.011 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000570287844 332735961 /nfs/dbraw/zinc/73/59/61/332735961.db2.gz OKKCIFFGPWZLMB-FJBKBRRZSA-N 1 0 307.438 2.036 10 30 DEEERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000563000426 333031468 /nfs/dbraw/zinc/03/14/68/333031468.db2.gz LXEZRKXFCOXEBR-BHYGNILZSA-N 1 0 316.401 2.301 10 30 DEEERO C#CCCCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000119590793 334285455 /nfs/dbraw/zinc/28/54/55/334285455.db2.gz RBRWCSZFZUBYML-KRWDZBQOSA-N 1 0 301.434 2.262 10 30 DEEERO C=C(C)CS(=O)(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000344823199 335281224 /nfs/dbraw/zinc/28/12/24/335281224.db2.gz IGHCVHPXGWWDSP-UHFFFAOYSA-N 1 0 302.484 2.479 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000185265886 337203831 /nfs/dbraw/zinc/20/38/31/337203831.db2.gz HDTXOYRWWYAXJG-MRXNPFEDSA-N 1 0 307.482 2.075 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCCc2c[nH]c3ccc(Cl)cc23)CCO1 ZINC000262464860 534271224 /nfs/dbraw/zinc/27/12/24/534271224.db2.gz NKQRTQPQXPZDOJ-LLVKDONJSA-N 1 0 320.824 2.399 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2cccc(C#N)c2)C[C@@H]1CC ZINC000106118021 519921767 /nfs/dbraw/zinc/92/17/67/519921767.db2.gz DGNHTNVBEXPGOT-SFHVURJKSA-N 1 0 301.434 2.491 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246306071 521711995 /nfs/dbraw/zinc/71/19/95/521711995.db2.gz AWEXUKLTLPXGEB-WMLDXEAASA-N 1 0 314.433 2.430 10 30 DEEERO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1cnc(C#N)cn1 ZINC000127089097 521749027 /nfs/dbraw/zinc/74/90/27/521749027.db2.gz YZAUWFKQDUAUOW-UHFFFAOYSA-N 1 0 317.343 2.195 10 30 DEEERO C[NH+]=C(NCCC(F)(F)F)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261946087 526352561 /nfs/dbraw/zinc/35/25/61/526352561.db2.gz FZHFRDZBJQWLKH-LLVKDONJSA-N 1 0 316.327 2.063 10 30 DEEERO C[NH+]=C(NCCc1cc(F)ccc1F)N1CC[C@]2(CCOC2)C1 ZINC000262017714 526364553 /nfs/dbraw/zinc/36/45/53/526364553.db2.gz YCSJHTFRFKSJIZ-KRWDZBQOSA-N 1 0 323.387 2.195 10 30 DEEERO C[NH+]=C(NCCc1cc(F)ccc1F)N1CC[C@@]2(CCOC2)C1 ZINC000262017719 526364929 /nfs/dbraw/zinc/36/49/29/526364929.db2.gz YCSJHTFRFKSJIZ-QGZVFWFLSA-N 1 0 323.387 2.195 10 30 DEEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261679840 526395107 /nfs/dbraw/zinc/39/51/07/526395107.db2.gz HMVBZJQWTAKIDO-UXIGCNINSA-N 1 0 306.841 2.492 10 30 DEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000261978297 526415352 /nfs/dbraw/zinc/41/53/52/526415352.db2.gz OFKOLZHQTQKNPJ-CZUORRHYSA-N 1 0 316.449 2.237 10 30 DEEERO C[NH+]=C(NCc1nccc2ccccc21)N1CC[C@@H](COC)C1 ZINC000262450120 526415628 /nfs/dbraw/zinc/41/56/28/526415628.db2.gz JQTOTADTFFSLTG-CQSZACIVSA-N 1 0 312.417 2.279 10 30 DEEERO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)C1=O ZINC000338215891 526508736 /nfs/dbraw/zinc/50/87/36/526508736.db2.gz ZLQMOLTXUNLHRI-BPKGMFCQSA-N 1 0 306.450 2.035 10 30 DEEERO C=CCN1CC[C@H]([N@H+]2CCN(c3ccccc3)C[C@@H]2CC)C1=O ZINC000337205730 526510367 /nfs/dbraw/zinc/51/03/67/526510367.db2.gz LDRVBVIMSSLZSP-WMZOPIPTSA-N 1 0 313.445 2.374 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000437766013 526846307 /nfs/dbraw/zinc/84/63/07/526846307.db2.gz UNMBWYPYTDJSCA-DLBZAZTESA-N 1 0 323.481 2.389 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N2CCC(c3ccccn3)CC2)CC1 ZINC000371319636 526918787 /nfs/dbraw/zinc/91/87/87/526918787.db2.gz TXUPCLPCLLGEMI-UHFFFAOYSA-N 1 0 311.429 2.133 10 30 DEEERO C=CCCCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000448375435 527208955 /nfs/dbraw/zinc/20/89/55/527208955.db2.gz NSDCJUQXBWDSSH-UHFFFAOYSA-N 1 0 303.406 2.078 10 30 DEEERO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419156942 527281915 /nfs/dbraw/zinc/28/19/15/527281915.db2.gz UFUKKRVQMIEWQZ-UONOGXRCSA-N 1 0 317.433 2.184 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCC)CC[NH+](CC)CC ZINC000425855694 527494766 /nfs/dbraw/zinc/49/47/66/527494766.db2.gz MSULOHNQGJFFST-HOTGVXAUSA-N 1 0 311.470 2.341 10 30 DEEERO CC[NH+]=C(NC1CCC1)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000261656008 528802666 /nfs/dbraw/zinc/80/26/66/528802666.db2.gz ADRNBFPXIXAHFB-MRXNPFEDSA-N 1 0 320.481 2.275 10 30 DEEERO CC[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1C[C@H]1C ZINC000262845026 528818940 /nfs/dbraw/zinc/81/89/40/528818940.db2.gz VNBPMOUHNXHCEX-ZWNOBZJWSA-N 1 0 305.813 2.451 10 30 DEEERO CC[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1C[C@@H]1C ZINC000262845021 528819005 /nfs/dbraw/zinc/81/90/05/528819005.db2.gz VNBPMOUHNXHCEX-GXFFZTMASA-N 1 0 305.813 2.451 10 30 DEEERO CCS[C@@H]1CCC[C@H](NC(NC[C@@H]2CCC[C@@H]2O)=[NH+]C)C1 ZINC000262811284 529215304 /nfs/dbraw/zinc/21/53/04/529215304.db2.gz VDLXLRABKHFENV-XQLPTFJDSA-N 1 0 313.511 2.377 10 30 DEEERO C#CCOc1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000160575200 623961966 /nfs/dbraw/zinc/96/19/66/623961966.db2.gz FQCMGCWLXSCQHE-HNNXBMFYSA-N 1 0 300.402 2.303 10 30 DEEERO [NH2+]=C(NCc1cccnc1OCC(F)F)NC1CCCCC1 ZINC000160768408 624069660 /nfs/dbraw/zinc/06/96/60/624069660.db2.gz WAUALDNBKOHQPC-UHFFFAOYSA-N 1 0 312.364 2.463 10 30 DEEERO CCc1nc(CNC(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)=[NH+]C)cs1 ZINC000086120876 636032195 /nfs/dbraw/zinc/03/21/95/636032195.db2.gz DDWHTYNXGGGDHC-YUTCNCBUSA-N 1 0 322.478 2.184 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NCC[N@@H+](CC)C1CC1 ZINC000805076069 639520395 /nfs/dbraw/zinc/52/03/95/639520395.db2.gz NPXGPOXHQLJRDD-QGZVFWFLSA-N 1 0 313.445 2.405 10 30 DEEERO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2CCOC)cc1 ZINC000163331872 639733157 /nfs/dbraw/zinc/73/31/57/639733157.db2.gz GHWZICOFYPFGHB-SJLPKXTDSA-N 1 0 316.445 2.460 10 30 DEEERO Cc1ccc(C[NH+]=C(N(C)C)N(C)C)c(OC[C@H]2CCOC2)c1 ZINC000087002015 641273622 /nfs/dbraw/zinc/27/36/22/641273622.db2.gz OJKGQEMQFJKNFN-HNNXBMFYSA-N 1 0 319.449 2.390 10 30 DEEERO C[C@H](C#N)OCC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000801937156 645465195 /nfs/dbraw/zinc/46/51/95/645465195.db2.gz FQLJVGJWFSHOGB-KGLIPLIRSA-N 1 0 301.390 2.393 10 30 DEEERO COc1ccccc1[C@H](O)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000172339012 646730875 /nfs/dbraw/zinc/73/08/75/646730875.db2.gz CVMGYLOWYMOUIC-MRXNPFEDSA-N 1 0 322.368 2.038 10 30 DEEERO COc1ccccc1C1(CNC(=[NH2+])NC[C@H]2CCCO2)CCC1 ZINC000183647008 649128343 /nfs/dbraw/zinc/12/83/43/649128343.db2.gz YIKRTYLLAQXVCP-CQSZACIVSA-N 1 0 317.433 2.200 10 30 DEEERO COc1ccccc1C1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCC1 ZINC000183646992 649128391 /nfs/dbraw/zinc/12/83/91/649128391.db2.gz YIKRTYLLAQXVCP-AWEZNQCLSA-N 1 0 317.433 2.200 10 30 DEEERO C[NH+]=C(NCc1cn2c(n1)CCCC2)N1C[C@H](C)C[C@H](C)C1 ZINC000073106901 649617787 /nfs/dbraw/zinc/61/77/87/649617787.db2.gz LPAUSNCYZRDWBB-OKILXGFUSA-N 1 0 303.454 2.273 10 30 DEEERO C=C(Br)CN1CCN(CCOCC)[C@H](CC)C1 ZINC000105914787 651243058 /nfs/dbraw/zinc/24/30/58/651243058.db2.gz LONRADLPKYJYJW-CYBMUJFWSA-N 1 0 305.260 2.328 10 30 DEEERO Cc1ccoc1C(=O)NCCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000304754430 685259893 /nfs/dbraw/zinc/25/98/93/685259893.db2.gz LWQMLKIWDJJCCY-UHFFFAOYSA-N 1 0 314.389 2.443 10 30 DEEERO CCOCCCNC(=[NH2+])NCCc1ccc(OC)cc1Cl ZINC000305090521 685273064 /nfs/dbraw/zinc/27/30/64/685273064.db2.gz PIJLSGPZYCRVKY-UHFFFAOYSA-N 1 0 313.829 2.222 10 30 DEEERO C#CCC[NH+]1CCN(Cc2nc3cc(F)ccc3n2CC)CC1 ZINC000127321424 684162599 /nfs/dbraw/zinc/16/25/99/684162599.db2.gz AUMIJOJQWHNPDL-UHFFFAOYSA-N 1 0 314.408 2.336 10 30 DEEERO CN(C)[C@H](CNC(=[NH2+])NCCc1cccs1)c1ccccc1 ZINC000303693873 685233326 /nfs/dbraw/zinc/23/33/26/685233326.db2.gz CKWCCSOKUVOQID-MRXNPFEDSA-N 1 0 316.474 2.498 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NCc1cccc([N+](=O)[O-])c1 ZINC000303883783 685237480 /nfs/dbraw/zinc/23/74/80/685237480.db2.gz ITGBIAMXZMAYOI-UHFFFAOYSA-N 1 0 304.375 2.303 10 30 DEEERO COc1cc(OC)c(CNC(=[NH2+])N2CCCCC2)c(OC)c1 ZINC000303901412 685238367 /nfs/dbraw/zinc/23/83/67/685238367.db2.gz XHUULISZRUTWJM-UHFFFAOYSA-N 1 0 307.394 2.013 10 30 DEEERO CC[NH+]=C(NCc1ccc(Cl)s1)NCc1ccnn1C ZINC000176375022 782360381 /nfs/dbraw/zinc/36/03/81/782360381.db2.gz GOZMCUFTUMLLOJ-UHFFFAOYSA-N 1 0 311.842 2.390 10 30 DEEERO N#Cc1c(Br)cccc1NCCN1CCC([NH3+])CC1 ZINC000721971872 782406466 /nfs/dbraw/zinc/40/64/66/782406466.db2.gz GNYODOOPAYQQAS-UHFFFAOYSA-N 1 0 323.238 2.156 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000278509146 214200054 /nfs/dbraw/zinc/20/00/54/214200054.db2.gz AMAQVOXENUKENK-QGZVFWFLSA-N 1 0 300.377 2.207 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000612597221 361869573 /nfs/dbraw/zinc/86/95/73/361869573.db2.gz CORAEKVMBWRYQS-KRWDZBQOSA-N 1 0 310.401 2.490 10 30 DEEERO [NH3+]CC#Cc1ccsc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000088436902 185250294 /nfs/dbraw/zinc/25/02/94/185250294.db2.gz YOQAWKBYVCAFLB-LLVKDONJSA-N 1 0 316.348 2.473 10 30 DEEERO CN(CCC(F)(F)F)C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000088436875 185250567 /nfs/dbraw/zinc/25/05/67/185250567.db2.gz MGVFXRDAWWEWSN-UHFFFAOYSA-N 1 0 302.271 2.160 10 30 DEEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090590665 185305580 /nfs/dbraw/zinc/30/55/80/185305580.db2.gz LWTKGJFJCHZYEK-BXUZGUMPSA-N 1 0 314.838 2.280 10 30 DEEERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1sc(C)c(C)c1C#N ZINC000090543519 185301978 /nfs/dbraw/zinc/30/19/78/185301978.db2.gz JGTKHBWSHOWUFP-QWHCGFSZSA-N 1 0 307.419 2.190 10 30 DEEERO C[N@H+](CCNc1ccc([N+](=O)[O-])c(C#N)n1)Cc1ccccc1 ZINC000302691834 529918174 /nfs/dbraw/zinc/91/81/74/529918174.db2.gz COLGAQLHTZNUOF-UHFFFAOYSA-N 1 0 311.345 2.405 10 30 DEEERO C=CCCOCCCCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000615269434 362572555 /nfs/dbraw/zinc/57/25/55/362572555.db2.gz LEVQNAIVSZRDOI-SJORKVTESA-N 1 0 324.465 2.071 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000625701341 365875082 /nfs/dbraw/zinc/87/50/82/365875082.db2.gz JFQOEZDJXARJHC-MRXNPFEDSA-N 1 0 322.474 2.346 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2COC)C1 ZINC000625702601 365876465 /nfs/dbraw/zinc/87/64/65/365876465.db2.gz ZSKXSNVYKGENJD-HNNXBMFYSA-N 1 0 302.418 2.347 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC000625701518 365874713 /nfs/dbraw/zinc/87/47/13/365874713.db2.gz SISXJMCCRAGJDF-CQSZACIVSA-N 1 0 309.431 2.367 10 30 DEEERO COc1cc2c(c(OC)c1)C(C#N)N(CCCC[NH+](C)C)C2=O ZINC000071680714 191006448 /nfs/dbraw/zinc/00/64/48/191006448.db2.gz UZCKMSOERYPERH-CQSZACIVSA-N 1 0 317.389 2.066 10 30 DEEERO Cc1cc(C(=O)N2CCS[C@H](C)[C@@H]2C)sc1C#CC[NH3+] ZINC000133662871 186004444 /nfs/dbraw/zinc/00/44/44/186004444.db2.gz VWUIKBFTRQSLSP-NWDGAFQWSA-N 1 0 308.472 2.333 10 30 DEEERO C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000133676918 186005700 /nfs/dbraw/zinc/00/57/00/186005700.db2.gz XYMPCSCSYRVMFJ-NEPJUHHUSA-N 1 0 306.406 2.102 10 30 DEEERO CC#CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249103074 539778758 /nfs/dbraw/zinc/77/87/58/539778758.db2.gz OJQILACKUZPUCF-HUUCEWRRSA-N 1 0 324.346 2.436 10 30 DEEERO N#Cc1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000277226410 213380061 /nfs/dbraw/zinc/38/00/61/213380061.db2.gz SHPQSDFMZZBFNF-QGZVFWFLSA-N 1 0 323.400 2.051 10 30 DEEERO C=CCc1ccc(OCC(=O)N[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000617411165 363124626 /nfs/dbraw/zinc/12/46/26/363124626.db2.gz CJHMRWDEDAGWDQ-OAHLLOKOSA-N 1 0 318.417 2.013 10 30 DEEERO C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000173791560 198252673 /nfs/dbraw/zinc/25/26/73/198252673.db2.gz BWFSASCXVBUGQY-BBRMVZONSA-N 1 0 300.406 2.182 10 30 DEEERO C=CCCC[C@@H](C)[NH+]1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000091514295 355600510 /nfs/dbraw/zinc/60/05/10/355600510.db2.gz IAPBRDGWBDNCKF-CQSZACIVSA-N 1 0 302.484 2.477 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000595604930 358498658 /nfs/dbraw/zinc/49/86/58/358498658.db2.gz OYRJXPCAKMMISS-UONOGXRCSA-N 1 0 307.438 2.479 10 30 DEEERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000132147618 355850356 /nfs/dbraw/zinc/85/03/56/355850356.db2.gz ZQXNRRKLIUCQRE-LRDDRELGSA-N 1 0 318.396 2.225 10 30 DEEERO CC(C)(C)CS(=O)(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000080192998 192011587 /nfs/dbraw/zinc/01/15/87/192011587.db2.gz IFQBIDLRGNXBLX-UHFFFAOYSA-N 1 0 314.838 2.438 10 30 DEEERO N#Cc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000128421151 283175105 /nfs/dbraw/zinc/17/51/05/283175105.db2.gz WSMACQMFDKGKBJ-IAGOWNOFSA-N 1 0 323.400 2.467 10 30 DEEERO C[C@H]1CCC[C@](CNC(=O)c2cc(C#N)cn2C)([NH+](C)C)C1 ZINC000081709480 192316278 /nfs/dbraw/zinc/31/62/78/192316278.db2.gz YNYKCYYDYXXVJA-GUYCJALGSA-N 1 0 302.422 2.137 10 30 DEEERO CCC[C@H]1CN(c2cc(C#N)cc(C)n2)CC[N@@H+]1CCOC ZINC000588009574 357387820 /nfs/dbraw/zinc/38/78/20/357387820.db2.gz VJBHGEXHLKITBA-INIZCTEOSA-N 1 0 302.422 2.199 10 30 DEEERO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1(C(=O)OC)CCCCC1 ZINC000595846018 358562786 /nfs/dbraw/zinc/56/27/86/358562786.db2.gz ZIIVOCDOFSOSKM-GASCZTMLSA-N 1 0 320.433 2.162 10 30 DEEERO C=CC[C@@]1(C(=O)NCc2ccc(C(=O)OCC)cc2)CCC[NH2+]1 ZINC000595930001 358582830 /nfs/dbraw/zinc/58/28/30/358582830.db2.gz WTTNQPPYEXHGEV-SFHVURJKSA-N 1 0 316.401 2.178 10 30 DEEERO C=CC[C@]1(C(=O)Nc2ccc(CC(=O)OC)c(F)c2)CCC[NH2+]1 ZINC000595964578 358587244 /nfs/dbraw/zinc/58/72/44/358587244.db2.gz SNCFBFPDLOILON-QGZVFWFLSA-N 1 0 320.364 2.178 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599526899 359517490 /nfs/dbraw/zinc/51/74/90/359517490.db2.gz WCKUOJREAVGBOZ-CYBMUJFWSA-N 1 0 315.373 2.382 10 30 DEEERO C=C(C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000600742262 359818068 /nfs/dbraw/zinc/81/80/68/359818068.db2.gz SRZQDTFKLXYNLD-QGZVFWFLSA-N 1 0 300.402 2.361 10 30 DEEERO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609252633 361291907 /nfs/dbraw/zinc/29/19/07/361291907.db2.gz RKIUJLVKAIUETJ-CQSZACIVSA-N 1 0 318.396 2.227 10 30 DEEERO C[C@H](CO)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619295463 363758285 /nfs/dbraw/zinc/75/82/85/363758285.db2.gz HUZOTJKHZMRYMG-XJKSGUPXSA-N 1 0 307.825 2.151 10 30 DEEERO C[NH+]1CCC(C#N)(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000610197384 361366596 /nfs/dbraw/zinc/36/65/96/361366596.db2.gz GMJBFAPCVFQTLN-OCCSQVGLSA-N 1 0 319.355 2.172 10 30 DEEERO C=CCC[N@@H+](C)Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000628246817 366783293 /nfs/dbraw/zinc/78/32/93/366783293.db2.gz DSPJGVSQGMIAQW-UHFFFAOYSA-N 1 0 324.384 2.214 10 30 DEEERO C=C[C@](C)(O)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000611799508 361684628 /nfs/dbraw/zinc/68/46/28/361684628.db2.gz PJAPKFRRZGMTCM-QAPCUYQASA-N 1 0 302.418 2.046 10 30 DEEERO C=C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C(=O)OC ZINC000619702771 363860945 /nfs/dbraw/zinc/86/09/45/363860945.db2.gz RTZQPVYHMCRAIM-IPYPFGDCSA-N 1 0 308.447 2.448 10 30 DEEERO [NH3+]CC#Cc1cnccc1C(=O)Nc1cccc(Cl)c1F ZINC000091461678 193059191 /nfs/dbraw/zinc/05/91/91/193059191.db2.gz QYDLNHGTWYNPFH-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO N#Cc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c(Br)c1 ZINC000091543568 193071615 /nfs/dbraw/zinc/07/16/15/193071615.db2.gz FRBSXSRAAIHHCM-ZJUUUORDSA-N 1 0 308.179 2.387 10 30 DEEERO C=C(C)CCNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000624153088 365310247 /nfs/dbraw/zinc/31/02/47/365310247.db2.gz UVYYYXMYLVAYRY-UHFFFAOYSA-N 1 0 309.454 2.239 10 30 DEEERO C=C(CC)CNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000624178497 365321676 /nfs/dbraw/zinc/32/16/76/365321676.db2.gz NANISFPGLYKKKN-UHFFFAOYSA-N 1 0 309.454 2.239 10 30 DEEERO C=CCC[N@@H+](C)CCC(=O)NCc1ccc(OC)cc1OC ZINC000450821785 242270822 /nfs/dbraw/zinc/27/08/22/242270822.db2.gz RZCJIIAMZAFPQI-UHFFFAOYSA-N 1 0 306.406 2.218 10 30 DEEERO CC[C@@H](C)CN(CC)S(=O)(=O)c1ccccc1C#CC[NH3+] ZINC000093265091 193222699 /nfs/dbraw/zinc/22/26/99/193222699.db2.gz HMEWKQZOTAIMPD-CQSZACIVSA-N 1 0 308.447 2.054 10 30 DEEERO C#CC[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000271726677 209159646 /nfs/dbraw/zinc/15/96/46/209159646.db2.gz RLAQIFQFIHWYAS-RDJZCZTQSA-N 1 0 320.458 2.012 10 30 DEEERO C=CCC[C@H](CO)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000458385821 248286754 /nfs/dbraw/zinc/28/67/54/248286754.db2.gz BNWJBWCZZPWJNA-OAHLLOKOSA-N 1 0 323.412 2.014 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](COC)CC2)CC1 ZINC000458317957 248260267 /nfs/dbraw/zinc/26/02/67/248260267.db2.gz DCOVKWQCHKQLNJ-HNNXBMFYSA-N 1 0 309.454 2.095 10 30 DEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)c1ccccc1O ZINC000042364901 183258735 /nfs/dbraw/zinc/25/87/35/183258735.db2.gz RCADWNMCPALVEG-UHFFFAOYSA-N 1 0 300.383 2.036 10 30 DEEERO C[C@@H](N(C)S(=O)(=O)c1ccc(C#CC[NH3+])cc1)C(C)(C)C ZINC000042830773 183312752 /nfs/dbraw/zinc/31/27/52/183312752.db2.gz NLOPCSHPUIFUEY-CYBMUJFWSA-N 1 0 308.447 2.052 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NCCc2cccs2)cc1F ZINC000043582615 183373247 /nfs/dbraw/zinc/37/32/47/183373247.db2.gz KCPQUFZMQYBTDR-UHFFFAOYSA-N 1 0 302.374 2.170 10 30 DEEERO CN(c1cccnn1)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000105806355 194133341 /nfs/dbraw/zinc/13/33/41/194133341.db2.gz FKSZIQCGIUHRSI-UHFFFAOYSA-N 1 0 307.401 2.449 10 30 DEEERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)n1cnc(C#N)n1 ZINC000061841904 184189712 /nfs/dbraw/zinc/18/97/12/184189712.db2.gz QZASMBBUSQSHBA-YPMHNXCESA-N 1 0 320.194 2.239 10 30 DEEERO C#CCNC(=O)COc1ccc(C[NH2+]C(C)(C)C)cc1Cl ZINC000062730264 184251554 /nfs/dbraw/zinc/25/15/54/184251554.db2.gz POZAOZYWJXTWRT-UHFFFAOYSA-N 1 0 308.809 2.356 10 30 DEEERO C[C@@H](NC(=O)[C@@H]1CCCCS1)c1cccc(C#CC[NH3+])c1 ZINC000156280780 197100826 /nfs/dbraw/zinc/10/08/26/197100826.db2.gz NKPIZZIMSQPBAE-CJNGLKHVSA-N 1 0 302.443 2.460 10 30 DEEERO C=CCOc1cccc(CN2CC[N@@H+](CCOC)[C@@H](C)C2)c1 ZINC000120801595 195240766 /nfs/dbraw/zinc/24/07/66/195240766.db2.gz UZUWLEXJTIMOHF-INIZCTEOSA-N 1 0 304.434 2.404 10 30 DEEERO COCc1nc(CNC(=[NH2+])N2CCC2)c(-c2ccccc2)s1 ZINC000263093760 533280547 /nfs/dbraw/zinc/28/05/47/533280547.db2.gz JCJJERAUHCJAIV-UHFFFAOYSA-N 1 0 316.430 2.477 10 30 DEEERO C[NH+](C)[C@@H](CNC(=O)c1ccnc(C#N)c1)c1ccc(F)cc1 ZINC000192800840 145079306 /nfs/dbraw/zinc/07/93/06/145079306.db2.gz IQABVCACMSNHPS-INIZCTEOSA-N 1 0 312.348 2.125 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000246809716 145115035 /nfs/dbraw/zinc/11/50/35/145115035.db2.gz YNTAAKWCOOXADM-CQSZACIVSA-N 1 0 305.397 2.240 10 30 DEEERO N#Cc1cccnc1-n1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000248390913 145152653 /nfs/dbraw/zinc/15/26/53/145152653.db2.gz COMNPYCEOQNEHB-ZBFHGGJFSA-N 1 0 308.389 2.178 10 30 DEEERO C=CCOc1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)cc1 ZINC000127643904 401743823 /nfs/dbraw/zinc/74/38/23/401743823.db2.gz QDWWUTSINPWMSR-UHFFFAOYSA-N 1 0 315.417 2.241 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(C#N)nc1)C(C)C ZINC000115383868 401826153 /nfs/dbraw/zinc/82/61/53/401826153.db2.gz VXARYSKKWAFBKI-QGZVFWFLSA-N 1 0 312.417 2.382 10 30 DEEERO C=CC[C@@H](C)[NH2+]Cc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000116926553 401864439 /nfs/dbraw/zinc/86/44/39/401864439.db2.gz ZYTFOSVSLLCINB-CQSZACIVSA-N 1 0 306.454 2.434 10 30 DEEERO C#CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000372203521 404489464 /nfs/dbraw/zinc/48/94/64/404489464.db2.gz CGNSTSXNMAEMMT-CVEARBPZSA-N 1 0 303.381 2.284 10 30 DEEERO C=C[C@@H](CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000135016430 401923589 /nfs/dbraw/zinc/92/35/89/401923589.db2.gz FOPNPBILRMPFEM-RDJZCZTQSA-N 1 0 302.418 2.135 10 30 DEEERO C#CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124570599 402186125 /nfs/dbraw/zinc/18/61/25/402186125.db2.gz NWWWVMRJWOXZGJ-GDBMZVCRSA-N 1 0 300.402 2.253 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccn(CCC#N)n1 ZINC000125084969 402212538 /nfs/dbraw/zinc/21/25/38/402212538.db2.gz NADVRWHOYSUNPE-CQSZACIVSA-N 1 0 318.425 2.039 10 30 DEEERO C[C@H]1C[N@@H+](C2CCN(Cc3ccc(F)c(C#N)c3)CC2)CCO1 ZINC000176876944 402345190 /nfs/dbraw/zinc/34/51/90/402345190.db2.gz FKWTXVOZVYQFAY-AWEZNQCLSA-N 1 0 317.408 2.382 10 30 DEEERO Cn1cc(N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)cn1 ZINC000176976075 402355860 /nfs/dbraw/zinc/35/58/60/402355860.db2.gz QPJNHOPTKTXBCM-GFCCVEGCSA-N 1 0 301.419 2.112 10 30 DEEERO CC[C@@H]1CN(CC#Cc2ccc(Cl)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000177130449 402373102 /nfs/dbraw/zinc/37/31/02/402373102.db2.gz XHHXQWONFXXPOY-CRAIPNDOSA-N 1 0 320.864 2.469 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245695662 402480187 /nfs/dbraw/zinc/48/01/87/402480187.db2.gz YDDSNHBMNDILRR-RDJZCZTQSA-N 1 0 308.385 2.072 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178522735 402507171 /nfs/dbraw/zinc/50/71/71/402507171.db2.gz DORPNGWEIAOEQJ-CABCVRRESA-N 1 0 322.449 2.239 10 30 DEEERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000171085060 402556512 /nfs/dbraw/zinc/55/65/12/402556512.db2.gz UNGFASNEGKWUGR-NSHDSACASA-N 1 0 324.331 2.327 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000178692720 402527572 /nfs/dbraw/zinc/52/75/72/402527572.db2.gz AWEXUKLTLPXGEB-PBHICJAKSA-N 1 0 314.433 2.430 10 30 DEEERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(C#N)cn1C ZINC000181027421 402633235 /nfs/dbraw/zinc/63/32/35/402633235.db2.gz OFVSFQVTGONQLL-AWEZNQCLSA-N 1 0 310.401 2.147 10 30 DEEERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000181559143 402649741 /nfs/dbraw/zinc/64/97/41/402649741.db2.gz HDDBARRYIHFQBT-NVXWUHKLSA-N 1 0 317.433 2.086 10 30 DEEERO C[C@H]([NH2+]CCCSCC#N)c1ccc(S(C)(=O)=O)cc1 ZINC000182198848 402671500 /nfs/dbraw/zinc/67/15/00/402671500.db2.gz ACHXAMDXWAYUQA-LBPRGKRZSA-N 1 0 312.460 2.388 10 30 DEEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182348478 402683102 /nfs/dbraw/zinc/68/31/02/402683102.db2.gz KYULAMBURHSWDM-AEGPPILISA-N 1 0 304.438 2.414 10 30 DEEERO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000174143041 402728478 /nfs/dbraw/zinc/72/84/78/402728478.db2.gz AWQSYOOUWCODQL-HOCLYGCPSA-N 1 0 315.417 2.268 10 30 DEEERO CC[NH+](CC)[C@@H](CNC(=O)c1ccnc(C#N)c1)c1ccco1 ZINC000192961754 402758846 /nfs/dbraw/zinc/75/88/46/402758846.db2.gz BGOUBNNVJKACDJ-HNNXBMFYSA-N 1 0 312.373 2.359 10 30 DEEERO C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174853042 402760423 /nfs/dbraw/zinc/76/04/23/402760423.db2.gz IGJUDKFRUTXSGV-KRWDZBQOSA-N 1 0 306.498 2.418 10 30 DEEERO C[C@@H](NC(=O)c1ccnc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000193851958 402777007 /nfs/dbraw/zinc/77/70/07/402777007.db2.gz NFXWEJPGVCXWII-CXAGYDPISA-N 1 0 308.385 2.374 10 30 DEEERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000266392056 402968947 /nfs/dbraw/zinc/96/89/47/402968947.db2.gz ODSIKQQSMMUGFF-QGZVFWFLSA-N 1 0 316.424 2.304 10 30 DEEERO C=CCOc1ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1 ZINC000342846758 403369913 /nfs/dbraw/zinc/36/99/13/403369913.db2.gz OMNQVIIPBWNHEQ-CVEARBPZSA-N 1 0 304.434 2.138 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000343034003 403437712 /nfs/dbraw/zinc/43/77/12/403437712.db2.gz WOTUEIUTUCONHC-MAUKXSAKSA-N 1 0 323.481 2.038 10 30 DEEERO N#Cc1nc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)ccc1Cl ZINC000301539327 403644573 /nfs/dbraw/zinc/64/45/73/403644573.db2.gz BOYKYJHSFQNUCI-OLZOCXBDSA-N 1 0 320.824 2.032 10 30 DEEERO CCOCCN1CCN(c2cc(C#N)ccc2C(C)=O)C[C@@H]1C ZINC000302119800 403707301 /nfs/dbraw/zinc/70/73/01/403707301.db2.gz TVBDQEVYQOFMOY-AWEZNQCLSA-N 1 0 315.417 2.308 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000320974995 404070836 /nfs/dbraw/zinc/07/08/36/404070836.db2.gz HAWGEGHWFQCVJJ-WDEREUQCSA-N 1 0 320.216 2.260 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000320974984 404071727 /nfs/dbraw/zinc/07/17/27/404071727.db2.gz HAWGEGHWFQCVJJ-MNOVXSKESA-N 1 0 320.216 2.260 10 30 DEEERO CC(=O)Nc1ccn([C@@H]2CCN(Cc3nc(C4CC4)no3)C2)n1 ZINC000328618975 404115436 /nfs/dbraw/zinc/11/54/36/404115436.db2.gz FJHKDCAPUGIPMP-GFCCVEGCSA-N 1 0 316.365 2.198 10 30 DEEERO CC(=O)NC1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000329405954 404327726 /nfs/dbraw/zinc/32/77/26/404327726.db2.gz ZGFRNEXWYWBCOY-MFNGEMCRSA-N 1 0 322.453 2.357 10 30 DEEERO C=C(C)Cn1c(C2CC2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000359109414 404784361 /nfs/dbraw/zinc/78/43/61/404784361.db2.gz OMEWMQNTSDTPAH-UKRRQHHQSA-N 1 0 301.438 2.405 10 30 DEEERO C=CC[NH+]1CCC(Nc2cncc(-n3nc(C)cc3C)n2)CC1 ZINC000361009067 404877052 /nfs/dbraw/zinc/87/70/52/404877052.db2.gz IWDGUXCWFQZWLE-UHFFFAOYSA-N 1 0 312.421 2.341 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451338202 404959271 /nfs/dbraw/zinc/95/92/71/404959271.db2.gz HNTVKSIFOMOWAJ-ZACQAIPSSA-N 1 0 308.466 2.427 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000451682222 405018192 /nfs/dbraw/zinc/01/81/92/405018192.db2.gz OEUUYBQRLIFQRD-XQQFMLRXSA-N 1 0 320.355 2.111 10 30 DEEERO C=CC[C@H](CO)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415958321 404984004 /nfs/dbraw/zinc/98/40/04/404984004.db2.gz WXFZDRBFBFWSML-LLVKDONJSA-N 1 0 317.311 2.223 10 30 DEEERO C=CCC1(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCOCC1 ZINC000424667667 405144638 /nfs/dbraw/zinc/14/46/38/405144638.db2.gz VNNWRZIWGZKOIA-INIZCTEOSA-N 1 0 306.450 2.446 10 30 DEEERO C=CCOCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000354330637 405162086 /nfs/dbraw/zinc/16/20/86/405162086.db2.gz XRAVLHRCGRQLKG-UHFFFAOYSA-N 1 0 302.418 2.491 10 30 DEEERO C=CCC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCOCC1 ZINC000424738334 405164014 /nfs/dbraw/zinc/16/40/14/405164014.db2.gz OWYFORXNEYMZKH-HZPDHXFCSA-N 1 0 306.450 2.302 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000437807563 405220806 /nfs/dbraw/zinc/22/08/06/405220806.db2.gz ZTPFDYQRWGFEKQ-PMPSAXMXSA-N 1 0 311.470 2.243 10 30 DEEERO CCc1ccc([C@@H](CNC(=O)c2ccc(C#N)n2C)[NH+](C)C)cc1 ZINC000448608334 405426872 /nfs/dbraw/zinc/42/68/72/405426872.db2.gz VVILCBLPLJFROJ-GOSISDBHSA-N 1 0 324.428 2.492 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCOC[C@H]2CC2CCC2)CC1 ZINC000454550572 405362460 /nfs/dbraw/zinc/36/24/60/405362460.db2.gz RENHSUHUEVEWMK-QGZVFWFLSA-N 1 0 321.465 2.237 10 30 DEEERO C=CCOc1ccc(CC(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000448941984 405467074 /nfs/dbraw/zinc/46/70/74/405467074.db2.gz PEYIBLRPYGPFEC-UHFFFAOYSA-N 1 0 302.418 2.347 10 30 DEEERO C=CCCCCCNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000580463348 405622342 /nfs/dbraw/zinc/62/23/42/405622342.db2.gz LXOASDHWYDRAKE-UHFFFAOYSA-N 1 0 311.470 2.485 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C)c1ccnc(C#N)c1 ZINC000583618243 405776408 /nfs/dbraw/zinc/77/64/08/405776408.db2.gz XOCFKCNPYIXCOC-KBXCAEBGSA-N 1 0 324.432 2.206 10 30 DEEERO C=CCCCC[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000562532788 406026985 /nfs/dbraw/zinc/02/69/85/406026985.db2.gz QNIYASXURLOSTF-UHFFFAOYSA-N 1 0 307.482 2.219 10 30 DEEERO C=CC[C@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000637090725 406173971 /nfs/dbraw/zinc/17/39/71/406173971.db2.gz VRNMTSOWILCIRQ-HOTGVXAUSA-N 1 0 309.454 2.095 10 30 DEEERO C=CCOc1cccnc1C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000538269589 406295561 /nfs/dbraw/zinc/29/55/61/406295561.db2.gz IIFMUBVFFBUXAL-UHFFFAOYSA-N 1 0 312.373 2.389 10 30 DEEERO C=CCOc1cccc(NC(=O)[C@]2(COC)CCCC[NH2+]2)c1 ZINC000637948795 406491624 /nfs/dbraw/zinc/49/16/24/406491624.db2.gz RLFDPJNOPPTJBI-QGZVFWFLSA-N 1 0 304.390 2.349 10 30 DEEERO N#Cc1cnccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000548481695 406521698 /nfs/dbraw/zinc/52/16/98/406521698.db2.gz VHSGGCZTPTZKSK-UHFFFAOYSA-N 1 0 300.406 2.034 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000572422499 406666388 /nfs/dbraw/zinc/66/63/88/406666388.db2.gz AMQBVKLBILZPCG-CVEARBPZSA-N 1 0 323.481 2.180 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000572856026 406753388 /nfs/dbraw/zinc/75/33/88/406753388.db2.gz VCYGLZZZASVDRO-UHFFFAOYSA-N 1 0 323.481 2.182 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](CC2CCC(C(C)C)CC2)CC1 ZINC000575217898 406790637 /nfs/dbraw/zinc/79/06/37/406790637.db2.gz HABWSIBVKVUMBA-UHFFFAOYSA-N 1 0 321.509 2.369 10 30 DEEERO C=CCn1c(CC(F)(F)F)nnc1N1CCC[N@@H+](CC)CC1 ZINC000576703450 406832357 /nfs/dbraw/zinc/83/23/57/406832357.db2.gz VFXXUOGOHYCUPC-UHFFFAOYSA-N 1 0 317.359 2.101 10 30 DEEERO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC1(CO)CC1 ZINC000190015191 225071353 /nfs/dbraw/zinc/07/13/53/225071353.db2.gz QSFQBDODNKYIGD-OAHLLOKOSA-N 1 0 315.417 2.026 10 30 DEEERO [NH2+]=C(NCCc1cnc2c(Cl)cnn2c1)NC1CCCCC1 ZINC000263075485 225291215 /nfs/dbraw/zinc/29/12/15/225291215.db2.gz HDINZIHGTHVEES-UHFFFAOYSA-N 1 0 320.828 2.162 10 30 DEEERO [NH2+]=C(NCc1ccc(F)cc1C(F)(F)F)NC[C@H]1CCCO1 ZINC000261772837 225255883 /nfs/dbraw/zinc/25/58/83/225255883.db2.gz MWPXAPOVJYQMBY-LLVKDONJSA-N 1 0 319.302 2.428 10 30 DEEERO Cc1cc(C#N)cc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000601119907 422418194 /nfs/dbraw/zinc/41/81/94/422418194.db2.gz YNAUIDHCZCKIHN-LJQANCHMSA-N 1 0 322.412 2.311 10 30 DEEERO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000408043785 267264661 /nfs/dbraw/zinc/26/46/61/267264661.db2.gz LLYNKCXIWRVCQU-NXHRZFHOSA-N 1 0 318.392 2.449 10 30 DEEERO N#Cc1cccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000531386107 268276674 /nfs/dbraw/zinc/27/66/74/268276674.db2.gz JOHKKTHMARRBGL-LJQANCHMSA-N 1 0 319.408 2.491 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000174533809 276183424 /nfs/dbraw/zinc/18/34/24/276183424.db2.gz MJMARFMKTHHMBL-YOEHRIQHSA-N 1 0 314.433 2.301 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328735186 276373958 /nfs/dbraw/zinc/37/39/58/276373958.db2.gz IVHQXEUGAHGDNJ-QWHCGFSZSA-N 1 0 308.426 2.016 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](O)C1(C)C)C(C)C ZINC000361879196 276891345 /nfs/dbraw/zinc/89/13/45/276891345.db2.gz HSRBKGSOUVYZHD-HZPDHXFCSA-N 1 0 323.481 2.240 10 30 DEEERO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C#N)cc3C(F)(F)F)C[C@H]21 ZINC000301659960 277124605 /nfs/dbraw/zinc/12/46/05/277124605.db2.gz MJPVNNIXLAHLSE-ZIAGYGMSSA-N 1 0 311.307 2.096 10 30 DEEERO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccccc1 ZINC000245663116 277138526 /nfs/dbraw/zinc/13/85/26/277138526.db2.gz QFFSIGDUQWXJKP-HZPDHXFCSA-N 1 0 321.446 2.045 10 30 DEEERO C[NH+](C)C1(CNC(=O)NCC2CCC(C#N)CC2)CCCC1 ZINC000441026448 289049976 /nfs/dbraw/zinc/04/99/76/289049976.db2.gz TVQDJPRFLLJUJS-UHFFFAOYSA-N 1 0 306.454 2.490 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328685247 297092017 /nfs/dbraw/zinc/09/20/17/297092017.db2.gz FMSMDYPCIDUZER-MGPQQGTHSA-N 1 0 320.437 2.111 10 30 DEEERO CNc1cc(N2CCC[C@@H]2C[NH2+]CC(C)(C)CCC#N)ncn1 ZINC000174360794 333085418 /nfs/dbraw/zinc/08/54/18/333085418.db2.gz IUJDNVMPHWFCCD-CQSZACIVSA-N 1 0 316.453 2.407 10 30 DEEERO C=CCCCCCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000571344467 333768918 /nfs/dbraw/zinc/76/89/18/333768918.db2.gz SHWDIYMPNRWQLO-UHFFFAOYSA-N 1 0 323.481 2.086 10 30 DEEERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000185352951 337204391 /nfs/dbraw/zinc/20/43/91/337204391.db2.gz AABZLNPCOIBCRV-OAHLLOKOSA-N 1 0 309.454 2.010 10 30 DEEERO C=CCOC[C@@H](O)C[NH2+]CCOc1ccc2ccccc2c1 ZINC000584627866 337376171 /nfs/dbraw/zinc/37/61/71/337376171.db2.gz MZKXPNZNXFYZTE-KRWDZBQOSA-N 1 0 301.386 2.372 10 30 DEEERO N#Cc1ccc(-c2c[nH]c3ncc(OC4CC[NH2+]CC4)nc23)cn1 ZINC000584628864 337376399 /nfs/dbraw/zinc/37/63/99/337376399.db2.gz WVZGXHAJFKTASM-UHFFFAOYSA-N 1 0 320.356 2.022 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000546642514 341176842 /nfs/dbraw/zinc/17/68/42/341176842.db2.gz RCDZALXWOKGWPG-CQSZACIVSA-N 1 0 312.454 2.321 10 30 DEEERO C[N@@H+]1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccccc1 ZINC000245635401 341306516 /nfs/dbraw/zinc/30/65/16/341306516.db2.gz JJORSDMWRGGXHG-DLBZAZTESA-N 1 0 312.417 2.377 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000565088292 341516720 /nfs/dbraw/zinc/51/67/20/341516720.db2.gz XDGUZIFDTFKWJJ-OAHLLOKOSA-N 1 0 300.402 2.352 10 30 DEEERO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1cc(C#N)cs1)CC2 ZINC000177693583 341924090 /nfs/dbraw/zinc/92/40/90/341924090.db2.gz LOJHBJAZDZMNOE-LBPRGKRZSA-N 1 0 301.419 2.439 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCC2(Sc3ccccc3)CC2)CCO1 ZINC000262492934 533787214 /nfs/dbraw/zinc/78/72/14/533787214.db2.gz VKLSDNMMBDXTJB-ZDUSSCGKSA-N 1 0 305.447 2.347 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NC[C@H]2SCCc3ccccc32)CCO1 ZINC000262458375 533788442 /nfs/dbraw/zinc/78/84/42/533788442.db2.gz LSWCYDYJHNJXPM-SWLSCSKDSA-N 1 0 305.447 2.052 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCC2(Sc3ccccc3)CC2)CCO1 ZINC000262492933 534271403 /nfs/dbraw/zinc/27/14/03/534271403.db2.gz VKLSDNMMBDXTJB-CYBMUJFWSA-N 1 0 305.447 2.347 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCc2csc(Br)c2)CCO1 ZINC000262464389 534272121 /nfs/dbraw/zinc/27/21/21/534272121.db2.gz NGVHGDJGIPSGBM-MRVPVSSYSA-N 1 0 318.240 2.046 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(CC)Cc1ccccc1 ZINC000451684170 534571626 /nfs/dbraw/zinc/57/16/26/534571626.db2.gz XBOVGIGVERWASI-SJORKVTESA-N 1 0 302.418 2.358 10 30 DEEERO Cc1nc([C@H]2CCC[N@H+]2CCC(=O)N(C)CCC#N)cs1 ZINC000189774904 534608596 /nfs/dbraw/zinc/60/85/96/534608596.db2.gz MEYFDCRDNJPSGK-CQSZACIVSA-N 1 0 306.435 2.351 10 30 DEEERO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418590715 526338535 /nfs/dbraw/zinc/33/85/35/526338535.db2.gz JSYNZCZLYFWESL-WMLDXEAASA-N 1 0 317.433 2.391 10 30 DEEERO C[NH+]=C(NCC1CCC1)NCC1(N(C)C)Cc2ccccc2C1 ZINC000262328130 526352217 /nfs/dbraw/zinc/35/22/17/526352217.db2.gz AJDJGDRNVWUJIE-UHFFFAOYSA-N 1 0 314.477 2.051 10 30 DEEERO C[NH+]=C(NCCN1CCC1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261986505 526356429 /nfs/dbraw/zinc/35/64/29/526356429.db2.gz QFCOICLJBKJWDG-HNNXBMFYSA-N 1 0 316.449 2.160 10 30 DEEERO C[NH+]=C(NCCN1CCC1)N[C@@H](C)c1cc2ccccc2o1 ZINC000261937874 526356625 /nfs/dbraw/zinc/35/66/25/526356625.db2.gz WZSZKOQZYCRHGQ-ZDUSSCGKSA-N 1 0 300.406 2.365 10 30 DEEERO C[NH+]=C(NCCc1c[nH]c2ccccc12)NC[C@@H]1CCC[C@H]1O ZINC000262486526 526363989 /nfs/dbraw/zinc/36/39/89/526363989.db2.gz ZIBNUCAZWJMNAR-WMLDXEAASA-N 1 0 314.433 2.036 10 30 DEEERO C[NH+]=C(NCCc1nc(C)no1)N1CCC2(C1)CCCCC2 ZINC000262474037 526366205 /nfs/dbraw/zinc/36/62/05/526366205.db2.gz POKAUIXALYJRDF-UHFFFAOYSA-N 1 0 305.426 2.152 10 30 DEEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262197392 526376082 /nfs/dbraw/zinc/37/60/82/526376082.db2.gz GWJBKBVOYHHCMU-RVMXOQNASA-N 1 0 321.387 2.434 10 30 DEEERO C[NH+]=C(NC[C@H](c1ccco1)N1CCCC1)N[C@@H]1CC1(C)C ZINC000263249630 526377046 /nfs/dbraw/zinc/37/70/46/526377046.db2.gz OLHLFUPZMPEKKE-UKRRQHHQSA-N 1 0 304.438 2.380 10 30 DEEERO C=CCNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000262414334 526387720 /nfs/dbraw/zinc/38/77/20/526387720.db2.gz SYQWAFYHZVODLY-HTQZYQBOSA-N 1 0 300.225 2.457 10 30 DEEERO C[NH+]=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)N(C)C[C@@H]1CCOC1 ZINC000261628957 526394554 /nfs/dbraw/zinc/39/45/54/526394554.db2.gz JFPSRBUMWPPXRR-SLEUVZQESA-N 1 0 323.387 2.364 10 30 DEEERO C[NH+]=C(N[C@H]1CC1(C)C)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000261978291 526416737 /nfs/dbraw/zinc/41/67/37/526416737.db2.gz OFKOLZHQTQKNPJ-CJNGLKHVSA-N 1 0 316.449 2.237 10 30 DEEERO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2Cc2ccccc2OC)C1=O ZINC000337145943 526478205 /nfs/dbraw/zinc/47/82/05/526478205.db2.gz XUXYKYCVIQPHRD-IAGOWNOFSA-N 1 0 314.429 2.489 10 30 DEEERO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)C1=O ZINC000337206627 526510807 /nfs/dbraw/zinc/51/08/07/526510807.db2.gz MXOYIVBIPBZNHK-WBVHZDCISA-N 1 0 310.401 2.070 10 30 DEEERO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338394008 526568348 /nfs/dbraw/zinc/56/83/48/526568348.db2.gz XVDLOFBVXKOREY-KRWDZBQOSA-N 1 0 322.474 2.346 10 30 DEEERO C=CCNC(=O)C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000340336002 526573967 /nfs/dbraw/zinc/57/39/67/526573967.db2.gz CWZNAZLNDDCXMB-SECBINFHSA-N 1 0 315.236 2.390 10 30 DEEERO C=CCNC(=O)[C@H](C)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000370006580 526634056 /nfs/dbraw/zinc/63/40/56/526634056.db2.gz CZFNTTZOSMUOQU-SJORKVTESA-N 1 0 315.461 2.274 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000248599734 526709851 /nfs/dbraw/zinc/70/98/51/526709851.db2.gz BUWUMKSZDOSCQQ-BHYGNILZSA-N 1 0 308.466 2.473 10 30 DEEERO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000156230112 526726528 /nfs/dbraw/zinc/72/65/28/526726528.db2.gz CJOPTWAKDYXWOW-INIZCTEOSA-N 1 0 311.389 2.256 10 30 DEEERO C=CCOCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000371598344 526780099 /nfs/dbraw/zinc/78/00/99/526780099.db2.gz SHUHLQBJQKWEIO-QGZVFWFLSA-N 1 0 317.433 2.153 10 30 DEEERO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418133275 526831334 /nfs/dbraw/zinc/83/13/34/526831334.db2.gz KEGRUXUUHRXPLY-HUUCEWRRSA-N 1 0 309.454 2.319 10 30 DEEERO C=CCOc1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000262098694 526841574 /nfs/dbraw/zinc/84/15/74/526841574.db2.gz UXQPIRXIYQWTGF-INIZCTEOSA-N 1 0 318.417 2.459 10 30 DEEERO C=CCOc1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000418163760 526880763 /nfs/dbraw/zinc/88/07/63/526880763.db2.gz HSDGRKJZUGAXBN-XJKSGUPXSA-N 1 0 303.406 2.049 10 30 DEEERO C=CCOc1ccc(C[NH2+]C2CCC(C(N)=O)CC2)cc1OC ZINC000340456880 526884781 /nfs/dbraw/zinc/88/47/81/526884781.db2.gz BLRIHPGUXIWYNL-UHFFFAOYSA-N 1 0 318.417 2.394 10 30 DEEERO C=CCOc1cccc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC000418115472 526901475 /nfs/dbraw/zinc/90/14/75/526901475.db2.gz PJBDENMCIACICO-JKSUJKDBSA-N 1 0 304.434 2.138 10 30 DEEERO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000341877648 527190454 /nfs/dbraw/zinc/19/04/54/527190454.db2.gz MCCNGNQZZVVYEE-OCCSQVGLSA-N 1 0 306.406 2.489 10 30 DEEERO C=CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000292572430 527245941 /nfs/dbraw/zinc/24/59/41/527245941.db2.gz LHAAVAJBKWWDQP-JKSUJKDBSA-N 1 0 308.447 2.317 10 30 DEEERO C=C[C@@H]1CCCCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000428048035 527456026 /nfs/dbraw/zinc/45/60/26/527456026.db2.gz HQOOSZDGPSAJCU-OAHLLOKOSA-N 1 0 314.433 2.014 10 30 DEEERO C=C[C@H](CC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)c1ccccc1 ZINC000416302661 527575312 /nfs/dbraw/zinc/57/53/12/527575312.db2.gz GHGZLLNPWJNNAK-GVDBMIGSSA-N 1 0 316.445 2.260 10 30 DEEERO C=CCN(CC1CCCCC1)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000372088034 527595154 /nfs/dbraw/zinc/59/51/54/527595154.db2.gz ISGZEPBAJPSMGP-ALOPSCKCSA-N 1 0 318.461 2.396 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=[NH2+])NC2CCCCCC2)[C@H]1n1cccn1 ZINC000263188991 527890933 /nfs/dbraw/zinc/89/09/33/527890933.db2.gz VHSPGKSSJILSIX-ARFHVFGLSA-N 1 0 319.453 2.229 10 30 DEEERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000442741654 528740861 /nfs/dbraw/zinc/74/08/61/528740861.db2.gz VQIJBLCGPCEOMU-GPANFISMSA-N 1 0 306.454 2.298 10 30 DEEERO CC[NH+]=C(NCCc1nc(C)no1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261633521 528808541 /nfs/dbraw/zinc/80/85/41/528808541.db2.gz CQWHMLMEMLXVMG-OKILXGFUSA-N 1 0 305.426 2.008 10 30 DEEERO CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N(C)Cc1ccc[nH]1 ZINC000262759799 528815268 /nfs/dbraw/zinc/81/52/68/528815268.db2.gz FOFLTSVGXILQCK-RDJZCZTQSA-N 1 0 306.454 2.353 10 30 DEEERO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1 ZINC000162595710 625552644 /nfs/dbraw/zinc/55/26/44/625552644.db2.gz XOXJQUHZXUVDLY-AWEZNQCLSA-N 1 0 315.417 2.278 10 30 DEEERO C[NH+]=C(NCCn1cccn1)N[C@H](C)c1ccc(C)c(F)c1 ZINC000157218490 624164251 /nfs/dbraw/zinc/16/42/51/624164251.db2.gz WSBCADSYUXPLFA-CYBMUJFWSA-N 1 0 303.385 2.257 10 30 DEEERO [NH2+]=C(NCCOc1cccc2ccccc21)NC[C@H]1CCCO1 ZINC000066243957 625058418 /nfs/dbraw/zinc/05/84/18/625058418.db2.gz HBNVXONGGVEAGI-OAHLLOKOSA-N 1 0 313.401 2.302 10 30 DEEERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181674747 625227719 /nfs/dbraw/zinc/22/77/19/625227719.db2.gz RUPVWVHUBZFXAZ-WBVHZDCISA-N 1 0 317.433 2.350 10 30 DEEERO N#Cc1ccc(OCCC[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000177278078 625900433 /nfs/dbraw/zinc/90/04/33/625900433.db2.gz HFKUDIQFPMCQKJ-CQSZACIVSA-N 1 0 314.307 2.326 10 30 DEEERO C=C(Br)CNC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000177440019 625941731 /nfs/dbraw/zinc/94/17/31/625941731.db2.gz JCOYCVPSZJCBSG-NSHDSACASA-N 1 0 304.232 2.021 10 30 DEEERO C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000743203840 638124790 /nfs/dbraw/zinc/12/47/90/638124790.db2.gz UHYUQCSGSBXGRS-ZDUSSCGKSA-N 1 0 305.353 2.053 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000321043343 639905819 /nfs/dbraw/zinc/90/58/19/639905819.db2.gz TXSFRSFLBDIVBC-CHWSQXEVSA-N 1 0 300.196 2.009 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000805187630 640123720 /nfs/dbraw/zinc/12/37/20/640123720.db2.gz RMYZWAVULCEQTC-NXHRZFHOSA-N 1 0 313.445 2.403 10 30 DEEERO N#CCOc1ccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000729685551 640826803 /nfs/dbraw/zinc/82/68/03/640826803.db2.gz XUBJFDSJHYJULX-UHFFFAOYSA-N 1 0 319.368 2.459 10 30 DEEERO C#Cc1cncc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000807197036 645922645 /nfs/dbraw/zinc/92/26/45/645922645.db2.gz VBWISKJPYAWWFO-HNNXBMFYSA-N 1 0 307.397 2.313 10 30 DEEERO C=C(Br)CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000174376355 646806038 /nfs/dbraw/zinc/80/60/38/646806038.db2.gz JRYYNPAZBVBIBJ-NWDGAFQWSA-N 1 0 316.243 2.163 10 30 DEEERO CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)Oc1ccccc1F ZINC000304671657 685258193 /nfs/dbraw/zinc/25/81/93/685258193.db2.gz CGEPTZRVDKQRIR-STQMWFEESA-N 1 0 309.385 2.066 10 30 DEEERO CSCC[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000130169453 684186286 /nfs/dbraw/zinc/18/62/86/684186286.db2.gz QONJRRDIRGDCJQ-LBPRGKRZSA-N 1 0 312.460 2.063 10 30 DEEERO C#CCCOc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000159617049 684317617 /nfs/dbraw/zinc/31/76/17/684317617.db2.gz OPUZAWNYVXOMDT-GOEBONIOSA-N 1 0 300.402 2.175 10 30 DEEERO COC(=O)CCCCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303787290 685235225 /nfs/dbraw/zinc/23/52/25/685235225.db2.gz SLSUHXNRCVMFAA-UHFFFAOYSA-N 1 0 305.422 2.427 10 30 DEEERO Cc1cccc(NC(=[NH2+])NCCc2nnc3n2CCCCC3)c1 ZINC000303789164 685235885 /nfs/dbraw/zinc/23/58/85/685235885.db2.gz VEGZXFARLRMKOS-UHFFFAOYSA-N 1 0 312.421 2.282 10 30 DEEERO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccnn2C)c1 ZINC000303882519 685237884 /nfs/dbraw/zinc/23/78/84/685237884.db2.gz IDLBNSSUGMHIRY-UHFFFAOYSA-N 1 0 317.393 2.144 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000716858118 793003000 /nfs/dbraw/zinc/00/30/00/793003000.db2.gz XGOIFAVICIYRBT-LSDHHAIUSA-N 1 0 310.438 2.404 10 30 DEEERO C=CCNC(=O)C[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719556454 1089289071 /nfs/dbraw/zinc/28/90/71/1089289071.db2.gz RQBSAQZZFKIBTR-UHFFFAOYSA-N 1 0 311.223 2.458 10 30 DEEERO C[C@@](O)(C[NH2+]CCOC(F)(F)C(F)(F)F)C(F)(F)F ZINC000720232828 1089536516 /nfs/dbraw/zinc/53/65/16/1089536516.db2.gz XYCFNWTZKDXCQP-RXMQYKEDSA-N 1 0 305.165 2.061 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000278342729 214102882 /nfs/dbraw/zinc/10/28/82/214102882.db2.gz KEHCXEAMIPHAND-APWZRJJASA-N 1 0 308.425 2.286 10 30 DEEERO Cc1nnc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(C#N)c1C ZINC000328635956 231272292 /nfs/dbraw/zinc/27/22/92/231272292.db2.gz VFKQALMZRYMXSE-RDJZCZTQSA-N 1 0 322.416 2.465 10 30 DEEERO COc1ccc(C#CC[NH3+])c(CN(C)CCC(F)(F)F)c1 ZINC000088433441 185249759 /nfs/dbraw/zinc/24/97/59/185249759.db2.gz AQLWZCUFIQPTFY-UHFFFAOYSA-N 1 0 300.324 2.390 10 30 DEEERO C[N@H+](CCOc1cccc(C#CCO)c1)CCC(F)(F)F ZINC000088433525 185249838 /nfs/dbraw/zinc/24/98/38/185249838.db2.gz JWDWYOYWXHAPGD-UHFFFAOYSA-N 1 0 301.308 2.293 10 30 DEEERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(Cl)ccc1C#N ZINC000090540870 185301780 /nfs/dbraw/zinc/30/17/80/185301780.db2.gz SNTABWJGLLNOEH-OCCSQVGLSA-N 1 0 307.781 2.165 10 30 DEEERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000090540946 185301909 /nfs/dbraw/zinc/30/19/09/185301909.db2.gz PQKUVSKXJDGSTB-TZMCWYRMSA-N 1 0 307.781 2.165 10 30 DEEERO C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000625355638 365744940 /nfs/dbraw/zinc/74/49/40/365744940.db2.gz TTYKXTDGOXFQPQ-CQSZACIVSA-N 1 0 308.447 2.335 10 30 DEEERO C=CC[C@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000625700664 365875360 /nfs/dbraw/zinc/87/53/60/365875360.db2.gz DRVMGEIFWMATOA-AWEZNQCLSA-N 1 0 308.447 2.335 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000625705630 365876573 /nfs/dbraw/zinc/87/65/73/365876573.db2.gz WIODBIKBVIQYNM-ZDUSSCGKSA-N 1 0 301.390 2.012 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000625702878 365876964 /nfs/dbraw/zinc/87/69/64/365876964.db2.gz IALPODKMOHUCTA-CQSZACIVSA-N 1 0 315.417 2.225 10 30 DEEERO C=CC[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000625705603 365877275 /nfs/dbraw/zinc/87/72/75/365877275.db2.gz RDODFOCMWXYMDN-OAHLLOKOSA-N 1 0 308.381 2.184 10 30 DEEERO COc1cc2c(c(OC)c1)C(C#N)N(CCCC[NH+](C)C)C2=O ZINC000071680715 191006736 /nfs/dbraw/zinc/00/67/36/191006736.db2.gz UZCKMSOERYPERH-AWEZNQCLSA-N 1 0 317.389 2.066 10 30 DEEERO C[C@H](C(=O)Nc1ccc(C#N)cc1Br)C1C[NH2+]C1 ZINC000164038312 186146541 /nfs/dbraw/zinc/14/65/41/186146541.db2.gz LZUVJPULLDYZTP-QMMMGPOBSA-N 1 0 308.179 2.115 10 30 DEEERO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329161724 539915067 /nfs/dbraw/zinc/91/50/67/539915067.db2.gz ZESXWHRWCQTZFJ-DZGCQCFKSA-N 1 0 307.438 2.218 10 30 DEEERO Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000330193451 539934918 /nfs/dbraw/zinc/93/49/18/539934918.db2.gz YPDQXYMMJJNSPO-HOCLYGCPSA-N 1 0 320.437 2.329 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000063403246 354645178 /nfs/dbraw/zinc/64/51/78/354645178.db2.gz FTPXVXAHIVYGOS-KRWDZBQOSA-N 1 0 312.417 2.350 10 30 DEEERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000334069556 283093049 /nfs/dbraw/zinc/09/30/49/283093049.db2.gz GFJPHJZAGGYKSB-YHUYYLMFSA-N 1 0 304.438 2.194 10 30 DEEERO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000329403326 283107620 /nfs/dbraw/zinc/10/76/20/283107620.db2.gz YSERKQUDYLNYQK-DZKIICNBSA-N 1 0 301.390 2.009 10 30 DEEERO CC(C)(C)n1cc(CN2CC[NH+](CCCCC#N)CC2)cn1 ZINC000105866224 355721506 /nfs/dbraw/zinc/72/15/06/355721506.db2.gz GILZFJGTOXDMBR-UHFFFAOYSA-N 1 0 303.454 2.450 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC ZINC000595601345 358498008 /nfs/dbraw/zinc/49/80/08/358498008.db2.gz BEDUNHYSHZGHGI-QSJFSLAZSA-N 1 0 324.465 2.415 10 30 DEEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000595602074 358498032 /nfs/dbraw/zinc/49/80/32/358498032.db2.gz HELHBFVVJOSFHV-ZFWWWQNUSA-N 1 0 305.378 2.481 10 30 DEEERO C=CCOc1ccc(CN2CC[NH+]([C@@H](CC)CO)CC2)cc1 ZINC000093739707 355686582 /nfs/dbraw/zinc/68/65/82/355686582.db2.gz KLLWWKUYSUUBRK-KRWDZBQOSA-N 1 0 304.434 2.140 10 30 DEEERO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(=O)OC(C)(C)C ZINC000595603885 358498621 /nfs/dbraw/zinc/49/86/21/358498621.db2.gz QAIJURJYVFUNBF-UONOGXRCSA-N 1 0 310.438 2.169 10 30 DEEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]C(C2CC2)C2CC2)c1 ZINC000158818958 355960267 /nfs/dbraw/zinc/96/02/67/355960267.db2.gz RIAYCOQPHASGCE-UHFFFAOYSA-N 1 0 304.415 2.110 10 30 DEEERO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000182004724 356104557 /nfs/dbraw/zinc/10/45/57/356104557.db2.gz KEWFMTUDUFNUEY-QWHCGFSZSA-N 1 0 321.396 2.493 10 30 DEEERO COc1ccc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1F ZINC000182030290 356105544 /nfs/dbraw/zinc/10/55/44/356105544.db2.gz HCNUZYBNSLALBY-LBPRGKRZSA-N 1 0 307.369 2.247 10 30 DEEERO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000182045867 356107263 /nfs/dbraw/zinc/10/72/63/356107263.db2.gz WVMBQUMNEIAGLK-UHFFFAOYSA-N 1 0 322.416 2.279 10 30 DEEERO N#Cc1c2c(sc1N1C(=O)c3ccccc3C1=O)C[NH2+]CC2 ZINC000306309577 356403649 /nfs/dbraw/zinc/40/36/49/356403649.db2.gz LPAGSDBGDGNZHG-UHFFFAOYSA-N 1 0 309.350 2.066 10 30 DEEERO C[N@H+](CC1CC1)C[C@@H]1CN(Cc2cc(C#N)cs2)CCO1 ZINC000328628693 356464259 /nfs/dbraw/zinc/46/42/59/356464259.db2.gz HNHUEIRBFNRWRK-OAHLLOKOSA-N 1 0 305.447 2.162 10 30 DEEERO C=CCOCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000618520636 363514594 /nfs/dbraw/zinc/51/45/94/363514594.db2.gz HPRGEBMIXNHNIA-KRWDZBQOSA-N 1 0 317.433 2.003 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000578739061 356864263 /nfs/dbraw/zinc/86/42/63/356864263.db2.gz FEQRFQANPRDILU-BBRMVZONSA-N 1 0 302.353 2.087 10 30 DEEERO C=CCN(CC=C)S(=O)(=O)c1cc(C[NH2+]C2CC2)oc1C ZINC000088904686 192650794 /nfs/dbraw/zinc/65/07/94/192650794.db2.gz KVMNVRZOITWMOM-UHFFFAOYSA-N 1 0 310.419 2.203 10 30 DEEERO N#Cc1ccnc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000588003195 357387369 /nfs/dbraw/zinc/38/73/69/357387369.db2.gz VMIBYQKYLYQORM-MRXNPFEDSA-N 1 0 300.406 2.034 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)C(C)(C)C(=O)OC(C)(C)C)CC1 ZINC000592762569 357937982 /nfs/dbraw/zinc/93/79/82/357937982.db2.gz ZEGIHTOEDBHAQN-UHFFFAOYSA-N 1 0 310.438 2.121 10 30 DEEERO C=CCCC1(C[NH2+]Cc2cn(CC(=O)OC)nn2)CCCC1 ZINC000594955866 358368761 /nfs/dbraw/zinc/36/87/61/358368761.db2.gz BTZQAXWSNBQXRF-UHFFFAOYSA-N 1 0 306.410 2.067 10 30 DEEERO COc1ccc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)cc1C#N ZINC000180968629 199234559 /nfs/dbraw/zinc/23/45/59/199234559.db2.gz DTFBAMHGNHKXNH-INIZCTEOSA-N 1 0 315.417 2.481 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000599526712 359516757 /nfs/dbraw/zinc/51/67/57/359516757.db2.gz PWJRVTXOTFXHSA-HOCLYGCPSA-N 1 0 319.401 2.111 10 30 DEEERO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)CC1(C#N)CC1 ZINC000599414813 359491167 /nfs/dbraw/zinc/49/11/67/359491167.db2.gz JHQXCPLHVIVHSM-AWEZNQCLSA-N 1 0 304.390 2.205 10 30 DEEERO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)CC1(C#N)CC1 ZINC000599414814 359491300 /nfs/dbraw/zinc/49/13/00/359491300.db2.gz JHQXCPLHVIVHSM-CQSZACIVSA-N 1 0 304.390 2.205 10 30 DEEERO C=CCOc1ccccc1C[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000600188879 359681276 /nfs/dbraw/zinc/68/12/76/359681276.db2.gz HLUFTGFOARMHFT-KRWDZBQOSA-N 1 0 305.374 2.015 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000602088548 360260135 /nfs/dbraw/zinc/26/01/35/360260135.db2.gz PHGPYZWGWNUQBO-OAHLLOKOSA-N 1 0 317.389 2.451 10 30 DEEERO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000602767800 360542055 /nfs/dbraw/zinc/54/20/55/360542055.db2.gz GLFREKJSUXDWJS-RBUKOAKNSA-N 1 0 314.429 2.458 10 30 DEEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccn(C)c(=O)c1 ZINC000604487843 360910750 /nfs/dbraw/zinc/91/07/50/360910750.db2.gz VUGFMMGOZDPESH-UHFFFAOYSA-N 1 0 313.357 2.482 10 30 DEEERO CC[NH+](CC)[C@@H](CNC(=O)c1ccnc(C#N)c1)CC(C)C ZINC000193249418 201012803 /nfs/dbraw/zinc/01/28/03/201012803.db2.gz MWNDLDWMHZKBCD-MRXNPFEDSA-N 1 0 302.422 2.440 10 30 DEEERO C[NH+](C)CCn1cc(NC(=O)Nc2ccc(F)cc2C#N)cn1 ZINC000610584846 361427774 /nfs/dbraw/zinc/42/77/74/361427774.db2.gz MOSVQTFTDFZICO-UHFFFAOYSA-N 1 0 316.340 2.099 10 30 DEEERO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(C#N)cc1F ZINC000610720167 361451541 /nfs/dbraw/zinc/45/15/41/361451541.db2.gz KWKYULQPQHDXMZ-OAHLLOKOSA-N 1 0 318.396 2.371 10 30 DEEERO N#CC1(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CC1 ZINC000611674193 361654906 /nfs/dbraw/zinc/65/49/06/361654906.db2.gz SDSMGZRXVINXIN-HNNXBMFYSA-N 1 0 319.430 2.196 10 30 DEEERO C=C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(=O)OC ZINC000619702772 363861027 /nfs/dbraw/zinc/86/10/27/363861027.db2.gz RTZQPVYHMCRAIM-KCQAQPDRSA-N 1 0 308.447 2.448 10 30 DEEERO C=CC[C@@H](C)[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000623422755 365025082 /nfs/dbraw/zinc/02/50/82/365025082.db2.gz DSYQUVLCWDKZBD-GFCCVEGCSA-N 1 0 324.384 2.260 10 30 DEEERO C=CC[C@H]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000623628339 365106931 /nfs/dbraw/zinc/10/69/31/365106931.db2.gz IJBUZPSLUDZSEL-HOTGVXAUSA-N 1 0 321.465 2.095 10 30 DEEERO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)C1 ZINC000623651025 365116541 /nfs/dbraw/zinc/11/65/41/365116541.db2.gz BHOKXKIIFBBDME-KFWWJZLASA-N 1 0 312.421 2.037 10 30 DEEERO N#Cc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c(Br)c1 ZINC000092203382 193172858 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CS(=O)(=O)c1cccc(OCc2sccc2C#CC[NH3+])c1 ZINC000043685309 183380037 /nfs/dbraw/zinc/38/00/37/183380037.db2.gz XFCZGTKTRZBOSP-UHFFFAOYSA-N 1 0 321.423 2.041 10 30 DEEERO CC[NH+](CC)[C@@H]1CCN(Cc2cc(C#CCCO)cs2)C1 ZINC000062967920 184263477 /nfs/dbraw/zinc/26/34/77/184263477.db2.gz XSTHKHNWBHGLPA-MRXNPFEDSA-N 1 0 306.475 2.398 10 30 DEEERO Cc1sc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000064361247 184295736 /nfs/dbraw/zinc/29/57/36/184295736.db2.gz ZVYKJHNYKGKZLF-UHFFFAOYSA-N 1 0 324.406 2.272 10 30 DEEERO COc1ccccc1[C@@]1(C)C[C@H]1NC(=[NH2+])N1CCSCC1 ZINC000262524923 532999017 /nfs/dbraw/zinc/99/90/17/532999017.db2.gz KKPHZEQXWISOSH-GDBMZVCRSA-N 1 0 305.447 2.089 10 30 DEEERO C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000329873730 533099150 /nfs/dbraw/zinc/09/91/50/533099150.db2.gz CIUOWMZVKNPRMN-CYBMUJFWSA-N 1 0 307.438 2.218 10 30 DEEERO N#Cc1cc(C(F)(F)F)ccc1NC(=O)[C@H]1CSCC[NH2+]1 ZINC000158374147 197266969 /nfs/dbraw/zinc/26/69/69/197266969.db2.gz 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C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc(C#N)cn2C)C1 ZINC000081674948 401898446 /nfs/dbraw/zinc/89/84/46/401898446.db2.gz JIGMFTYOWSGEDH-CQSZACIVSA-N 1 0 302.422 2.139 10 30 DEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000121111711 402015902 /nfs/dbraw/zinc/01/59/02/402015902.db2.gz RRDBBPJKXLFPAI-AWEZNQCLSA-N 1 0 310.438 2.075 10 30 DEEERO N#Cc1cccc(NC(=O)CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000066534011 402135819 /nfs/dbraw/zinc/13/58/19/402135819.db2.gz OXXNIOZXGRITGI-UHFFFAOYSA-N 1 0 312.417 2.057 10 30 DEEERO Clc1cccc(C#CC[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000153562820 402153418 /nfs/dbraw/zinc/15/34/18/402153418.db2.gz RQMRIVYZXANQHN-KRWDZBQOSA-N 1 0 304.821 2.098 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(n2ccnc2)CC1 ZINC000101862899 402156721 /nfs/dbraw/zinc/15/67/21/402156721.db2.gz BDBZQUNKWSJBDL-AWEZNQCLSA-N 1 0 324.384 2.386 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103451822 402189548 /nfs/dbraw/zinc/18/95/48/402189548.db2.gz 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ZINC000277565821 403231493 /nfs/dbraw/zinc/23/14/93/403231493.db2.gz SDFLWACOGXMXTO-BRWVUGGUSA-N 1 0 323.481 2.409 10 30 DEEERO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000284581276 403269807 /nfs/dbraw/zinc/26/98/07/403269807.db2.gz IJYQXULLNUOCRF-KSZLIROESA-N 1 0 300.402 2.310 10 30 DEEERO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC000285071037 403277849 /nfs/dbraw/zinc/27/78/49/403277849.db2.gz KCCADKZLVYMPCO-GXTWGEPZSA-N 1 0 312.335 2.278 10 30 DEEERO Cn1nccc1[C@@H]1[C@@H](C[NH2+]Cc2ccc(C#N)cc2)CCCN1C ZINC000343473091 403604896 /nfs/dbraw/zinc/60/48/96/403604896.db2.gz ZIPNPBITBNLXMN-MJGOQNOKSA-N 1 0 323.444 2.464 10 30 DEEERO C=CCCN(C)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000346819257 403603102 /nfs/dbraw/zinc/60/31/02/403603102.db2.gz CHDFNXWRFOTXEY-UHFFFAOYSA-N 1 0 301.434 2.477 10 30 DEEERO C[N@@H+]1CCO[C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]21 ZINC000301632643 403656182 /nfs/dbraw/zinc/65/61/82/403656182.db2.gz DDGBRGHAZBRTQY-KGLIPLIRSA-N 1 0 311.307 2.096 10 30 DEEERO Cc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(C#N)c(C)n1 ZINC000301797820 403680944 /nfs/dbraw/zinc/68/09/44/403680944.db2.gz UKHCCTQLTIHANC-OAHLLOKOSA-N 1 0 302.422 2.339 10 30 DEEERO CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000302718182 403715327 /nfs/dbraw/zinc/71/53/27/403715327.db2.gz KGTKYMAIKGZXBQ-UHFFFAOYSA-N 1 0 303.366 2.395 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000295386745 403895744 /nfs/dbraw/zinc/89/57/44/403895744.db2.gz KXLRQENHPUOODG-INIZCTEOSA-N 1 0 314.385 2.398 10 30 DEEERO CN(C(=O)c1ccc(C#N)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310193065 403966282 /nfs/dbraw/zinc/96/62/82/403966282.db2.gz ZDKAUELXWICRKK-QGZVFWFLSA-N 1 0 320.396 2.300 10 30 DEEERO C[NH+](C)[C@@H]1CCCN(c2ncc(Br)cc2C#N)C1 ZINC000295471381 403945040 /nfs/dbraw/zinc/94/50/40/403945040.db2.gz IRADOBUPKIRKSP-GFCCVEGCSA-N 1 0 309.211 2.246 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000362809550 403990781 /nfs/dbraw/zinc/99/07/81/403990781.db2.gz SJVNOIQXIPHISC-BBWFWOEESA-N 1 0 302.418 2.387 10 30 DEEERO C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328619940 404117768 /nfs/dbraw/zinc/11/77/68/404117768.db2.gz GMSNKRAALOGVFK-HNKHHVNMSA-N 1 0 303.406 2.456 10 30 DEEERO C#CCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000369741528 404215446 /nfs/dbraw/zinc/21/54/46/404215446.db2.gz MQTQBVKAGZQZBR-UKRRQHHQSA-N 1 0 305.447 2.454 10 30 DEEERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C1 ZINC000329502795 404357998 /nfs/dbraw/zinc/35/79/98/404357998.db2.gz HZFIHOGFMCRTIL-QKPAOTATSA-N 1 0 310.438 2.115 10 30 DEEERO CCc1nnc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000329505377 404360228 /nfs/dbraw/zinc/36/02/28/404360228.db2.gz AHOVMZNMQYIFSC-YOGCLGLASA-N 1 0 323.466 2.119 10 30 DEEERO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000352466721 404390417 /nfs/dbraw/zinc/39/04/17/404390417.db2.gz FAMZSTDVNDWATB-OLZOCXBDSA-N 1 0 322.371 2.094 10 30 DEEERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000329680517 404420471 /nfs/dbraw/zinc/42/04/71/404420471.db2.gz XWAYDYYQSNIUME-OCCSQVGLSA-N 1 0 307.438 2.074 10 30 DEEERO C=CCn1c(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)nnc1C(C)(C)C ZINC000350624124 404425013 /nfs/dbraw/zinc/42/50/13/404425013.db2.gz YWIBBTQRCYZPBO-KBPBESRZSA-N 1 0 303.454 2.435 10 30 DEEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000374063522 404682932 /nfs/dbraw/zinc/68/29/32/404682932.db2.gz BVYKYGWMUKTIMB-PILAGYSTSA-N 1 0 300.402 2.481 10 30 DEEERO C=CC[C@H](CO)NC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000357276959 404732154 /nfs/dbraw/zinc/73/21/54/404732154.db2.gz SGUVORSVKAWDNB-INMHGKMJSA-N 1 0 319.449 2.222 10 30 DEEERO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CC12COC2 ZINC000451136739 404876371 /nfs/dbraw/zinc/87/63/71/404876371.db2.gz NVNJBCPJRAINAE-CZUORRHYSA-N 1 0 314.385 2.131 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451338199 404959793 /nfs/dbraw/zinc/95/97/93/404959793.db2.gz HNTVKSIFOMOWAJ-BBWFWOEESA-N 1 0 308.466 2.427 10 30 DEEERO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000435740741 405008744 /nfs/dbraw/zinc/00/87/44/405008744.db2.gz LOJADIKJUXIQBV-GDBMZVCRSA-N 1 0 300.406 2.417 10 30 DEEERO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000408043069 405096383 /nfs/dbraw/zinc/09/63/83/405096383.db2.gz JIPOBLXEXQVSAH-JZXOWHBKSA-N 1 0 318.392 2.449 10 30 DEEERO Cc1nsc(N2CC[NH+](C[C@@H]3CCO[C@@H](C)C3)CC2)c1C#N ZINC000408212410 405141380 /nfs/dbraw/zinc/14/13/80/405141380.db2.gz WLWLFRFNVRFFMC-GXTWGEPZSA-N 1 0 320.462 2.260 10 30 DEEERO C=CCCC[C@H](C)NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419157669 405225141 /nfs/dbraw/zinc/22/51/41/405225141.db2.gz VSAJOIIAKMZKGH-AWEZNQCLSA-N 1 0 309.454 2.015 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000425428681 405288919 /nfs/dbraw/zinc/28/89/19/405288919.db2.gz WRMKQTDNBJKELE-QAETUUGQSA-N 1 0 323.481 2.245 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000425454031 405293571 /nfs/dbraw/zinc/29/35/71/405293571.db2.gz RBILCUQIOHLGOB-SOUVJXGZSA-N 1 0 311.470 2.243 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000448607721 405427061 /nfs/dbraw/zinc/42/70/61/405427061.db2.gz PHXFTVCWDGMATC-UHFFFAOYSA-N 1 0 322.412 2.423 10 30 DEEERO Cc1ccc([C@H](CNC(=O)c2ccc(C#N)n2C)[NH+](C)C)cc1 ZINC000448810541 405451047 /nfs/dbraw/zinc/45/10/47/405451047.db2.gz JHKWUORBQLXVDJ-KRWDZBQOSA-N 1 0 310.401 2.238 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCCN2CCO)cc1 ZINC000449393639 405542376 /nfs/dbraw/zinc/54/23/76/405542376.db2.gz MIRRMEWQIUWBDF-KRWDZBQOSA-N 1 0 304.434 2.188 10 30 DEEERO C=CCOc1cccc(C[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000449394593 405544397 /nfs/dbraw/zinc/54/43/97/405544397.db2.gz OBCURGUUVXGIOT-KRWDZBQOSA-N 1 0 304.434 2.188 10 30 DEEERO C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000582163609 405681544 /nfs/dbraw/zinc/68/15/44/405681544.db2.gz QMQSYBSZHNYOOI-WBVHZDCISA-N 1 0 315.417 2.066 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000636673621 406050629 /nfs/dbraw/zinc/05/06/29/406050629.db2.gz DSMHBFASLXDERW-UHFFFAOYSA-N 1 0 323.481 2.086 10 30 DEEERO C=CCCCCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000568411166 406218293 /nfs/dbraw/zinc/21/82/93/406218293.db2.gz JIWRUFRAEYIUMK-IBGZPJMESA-N 1 0 316.445 2.486 10 30 DEEERO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000570713403 406430936 /nfs/dbraw/zinc/43/09/36/406430936.db2.gz NYMLZKVSOIPHRO-KFWWJZLASA-N 1 0 322.449 2.073 10 30 DEEERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cc(N(C)C)ncn1 ZINC000329527754 286833430 /nfs/dbraw/zinc/83/34/30/286833430.db2.gz SFOGKSSHSKRJCD-ZDUSSCGKSA-N 1 0 320.441 2.133 10 30 DEEERO COC[C@H](NC(=O)c1ccc(C#CC[NH3+])c(Cl)c1)C(C)C ZINC000129184574 196026788 /nfs/dbraw/zinc/02/67/88/196026788.db2.gz ISDLDKVWIICWOU-HNNXBMFYSA-N 1 0 308.809 2.051 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c[nH]c(=O)cc1C)C(C)C ZINC000129862668 196082094 /nfs/dbraw/zinc/08/20/94/196082094.db2.gz ZAWGDRCTPDETHJ-MRXNPFEDSA-N 1 0 317.433 2.112 10 30 DEEERO N#Cc1ccc(N2CC[C@H](N3CCC([NH3+])CC3)C2)c(Cl)c1 ZINC000130837802 196114626 /nfs/dbraw/zinc/11/46/26/196114626.db2.gz ARXSHMYKAJWSQL-AWEZNQCLSA-N 1 0 304.825 2.213 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000132432244 196255614 /nfs/dbraw/zinc/25/56/14/196255614.db2.gz PVJLESORLKTJCK-KWQFWETISA-N 1 0 308.179 2.387 10 30 DEEERO C=C(C)CN(C)S(=O)(=O)c1cc(Cl)cc(C[NH3+])c1F ZINC000135335904 196465962 /nfs/dbraw/zinc/46/59/62/196465962.db2.gz NLEAXZPTKVKBGJ-UHFFFAOYSA-N 1 0 306.790 2.134 10 30 DEEERO [NH2+]=C(NCC1(CF)CCOCC1)Nc1cc(F)ccc1F ZINC000263024676 225290096 /nfs/dbraw/zinc/29/00/96/225290096.db2.gz AJNOZICIRMZBTF-UHFFFAOYSA-N 1 0 301.312 2.458 10 30 DEEERO [NH2+]=C(NCc1c(F)cc(Br)cc1F)N1CCC1 ZINC000263090502 225291286 /nfs/dbraw/zinc/29/12/86/225291286.db2.gz ITCVFZJIVZFCMW-UHFFFAOYSA-N 1 0 304.138 2.248 10 30 DEEERO [NH2+]=C(NCc1ccc(Br)s1)NC[C@@H]1CCCO1 ZINC000261908050 225257960 /nfs/dbraw/zinc/25/79/60/225257960.db2.gz XKZKOVDAWWBLIG-QMMMGPOBSA-N 1 0 318.240 2.094 10 30 DEEERO N#CC1(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCC1 ZINC000333924047 226112413 /nfs/dbraw/zinc/11/24/13/226112413.db2.gz SSVSYSWAQAVIIT-OAHLLOKOSA-N 1 0 304.438 2.340 10 30 DEEERO CC[N@@H+]1CCC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000194661115 424877796 /nfs/dbraw/zinc/87/77/96/424877796.db2.gz YFCAFJSDEHSUMS-MRXNPFEDSA-N 1 0 317.458 2.392 10 30 DEEERO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000336927778 279172224 /nfs/dbraw/zinc/17/22/24/279172224.db2.gz YKCFXXUTNDSNHK-NUJGCVRESA-N 1 0 321.465 2.154 10 30 DEEERO CC[C@H]1CN(C(NCc2nccn2CC(C)C)=[NH+]C)CCS1 ZINC000262034310 281125394 /nfs/dbraw/zinc/12/53/94/281125394.db2.gz XMWLEEGBJDESLN-AWEZNQCLSA-N 1 0 323.510 2.442 10 30 DEEERO CC[C@H]1[C@@H](C)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000185669590 281266989 /nfs/dbraw/zinc/26/69/89/281266989.db2.gz POVQWWWNEOGJFJ-BBRMVZONSA-N 1 0 306.431 2.452 10 30 DEEERO C[NH+](C)CC1CCC(NC(=O)COc2ccccc2C#N)CC1 ZINC000130507528 281941835 /nfs/dbraw/zinc/94/18/35/281941835.db2.gz JOHGXIRKZSPVEM-UHFFFAOYSA-N 1 0 315.417 2.174 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179014086 294203121 /nfs/dbraw/zinc/20/31/21/294203121.db2.gz YDDSNHBMNDILRR-NVXWUHKLSA-N 1 0 308.385 2.072 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC[NH2+]CC1 ZINC000236657302 332201253 /nfs/dbraw/zinc/20/12/53/332201253.db2.gz GKGZWLRWEBMBSC-UHFFFAOYSA-N 1 0 303.362 2.109 10 30 DEEERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000185345780 333207161 /nfs/dbraw/zinc/20/71/61/333207161.db2.gz MYMMYIOGYOECJX-KRWDZBQOSA-N 1 0 317.433 2.272 10 30 DEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CSc2ccc(C#N)cc2)C1 ZINC000247510453 519695247 /nfs/dbraw/zinc/69/52/47/519695247.db2.gz YIUMOACQUBHIBY-XJKSGUPXSA-N 1 0 317.458 2.495 10 30 DEEERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)Oc1ccccc1C#N ZINC000246728915 519826712 /nfs/dbraw/zinc/82/67/12/519826712.db2.gz WNUIUMSTWCMSNI-GOEBONIOSA-N 1 0 315.417 2.124 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(N(CC)CCOC)n1 ZINC000451682448 534573065 /nfs/dbraw/zinc/57/30/65/534573065.db2.gz PGLLWTLRTHRNNM-SJORKVTESA-N 1 0 319.449 2.378 10 30 DEEERO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000193289992 534748685 /nfs/dbraw/zinc/74/86/85/534748685.db2.gz MBUYBDTURCQJJJ-DZGCQCFKSA-N 1 0 318.396 2.229 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCC[C@H]1O)Nc1ccc(OC(F)(F)F)cc1 ZINC000262515178 534834241 /nfs/dbraw/zinc/83/42/41/534834241.db2.gz FYDRYCLHVYPGJO-JOYOIKCWSA-N 1 0 317.311 2.473 10 30 DEEERO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418581808 526338347 /nfs/dbraw/zinc/33/83/47/526338347.db2.gz VAUJJHZQIUIEIX-WMLDXEAASA-N 1 0 317.433 2.391 10 30 DEEERO C[NH+]=C(NCC(=O)NC(C)(C)C)NC1CCC(C(C)C)CC1 ZINC000261935753 526346172 /nfs/dbraw/zinc/34/61/72/526346172.db2.gz CJCPMRNQAFMABF-UHFFFAOYSA-N 1 0 310.486 2.281 10 30 DEEERO C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000157255118 526346818 /nfs/dbraw/zinc/34/68/18/526346818.db2.gz GXYSWITVDUSCBW-LBPRGKRZSA-N 1 0 322.428 2.275 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261750914 526348170 /nfs/dbraw/zinc/34/81/70/526348170.db2.gz MRIVSCGDKLJKRE-GDBMZVCRSA-N 1 0 317.389 2.484 10 30 DEEERO C[NH+]=C(NCC1(O)CCCCC1)N1CCC[C@@]2(CCCOC2)C1 ZINC000262797778 526351604 /nfs/dbraw/zinc/35/16/04/526351604.db2.gz QAUAHZCBGTZUMN-QGZVFWFLSA-N 1 0 323.481 2.150 10 30 DEEERO C[NH+]=C(NCCOCC(F)(F)F)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261817068 526362331 /nfs/dbraw/zinc/36/23/31/526362331.db2.gz UBCVGZAJYMWEPG-RYUDHWBXSA-N 1 0 307.360 2.263 10 30 DEEERO C[NH+]=C(NCCn1cccn1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000261799347 526367976 /nfs/dbraw/zinc/36/79/76/526367976.db2.gz RGYBHQFFEOGVJX-GOSISDBHSA-N 1 0 311.433 2.122 10 30 DEEERO C[NH+]=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1C[C@@H]1C ZINC000263248130 526376996 /nfs/dbraw/zinc/37/69/96/526376996.db2.gz NSGWWZGYTHWODS-BFHYXJOUSA-N 1 0 306.479 2.458 10 30 DEEERO C[NH+]=C(NCc1nccn1C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000262000689 526391538 /nfs/dbraw/zinc/39/15/38/526391538.db2.gz UIKRVYFSJYZQLP-GFCCVEGCSA-N 1 0 303.385 2.294 10 30 DEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261679838 526394597 /nfs/dbraw/zinc/39/45/97/526394597.db2.gz HMVBZJQWTAKIDO-NJZAAPMLSA-N 1 0 306.841 2.492 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ncccc2C)CC1 ZINC000296645181 526591102 /nfs/dbraw/zinc/59/11/02/526591102.db2.gz MVPXYXPVQXQESV-UHFFFAOYSA-N 1 0 316.449 2.272 10 30 DEEERO C=CCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000378600003 526779407 /nfs/dbraw/zinc/77/94/07/526779407.db2.gz XXCRLPGHKGKDNO-JKSUJKDBSA-N 1 0 321.396 2.073 10 30 DEEERO C=C(C)[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000187783210 526820832 /nfs/dbraw/zinc/82/08/32/526820832.db2.gz SZMBPUCHLJTWDE-DYVFJYSZSA-N 1 0 324.371 2.155 10 30 DEEERO C#CCNC(NCc1cn(-c2ccc(F)cc2)nc1C)=[NH+]CC ZINC000262600713 526914583 /nfs/dbraw/zinc/91/45/83/526914583.db2.gz CKFTYFFOYYTIJT-UHFFFAOYSA-N 1 0 313.380 2.008 10 30 DEEERO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000337911283 527280096 /nfs/dbraw/zinc/28/00/96/527280096.db2.gz QATLHQAVVULLCW-UHFFFAOYSA-N 1 0 301.394 2.255 10 30 DEEERO C=CCn1c(N2CC[N@@H+]3CCCC[C@H]3C2)nnc1C(C)(C)C ZINC000337767526 527330249 /nfs/dbraw/zinc/33/02/49/527330249.db2.gz CFXBDKSAFKMQHG-AWEZNQCLSA-N 1 0 303.454 2.436 10 30 DEEERO C=C[C@@H]1CCCCN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418322621 527448102 /nfs/dbraw/zinc/44/81/02/527448102.db2.gz CTWVNZRQOOLKGI-MRXNPFEDSA-N 1 0 302.422 2.311 10 30 DEEERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000442741655 527849264 /nfs/dbraw/zinc/84/92/64/527849264.db2.gz VQIJBLCGPCEOMU-UYSNPLJNSA-N 1 0 306.454 2.298 10 30 DEEERO CC1(C)[C@H](NC(=[NH2+])NCCc2cccs2)[C@H]2CCCO[C@@H]21 ZINC000262532224 527851308 /nfs/dbraw/zinc/85/13/08/527851308.db2.gz NXMOZXLYAHDCIR-MCIONIFRSA-N 1 0 307.463 2.399 10 30 DEEERO CCCCCCCS(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000195448140 528136018 /nfs/dbraw/zinc/13/60/18/528136018.db2.gz FNWXBWHKUVPICX-CABCVRRESA-N 1 0 302.484 2.313 10 30 DEEERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC1=[NH+]CCN1C)O[C@@H](C)C2 ZINC000262679976 528350219 /nfs/dbraw/zinc/35/02/19/528350219.db2.gz VQHKGUXSNYWHII-WHOFXGATSA-N 1 0 315.417 2.156 10 30 DEEERO CC[NH+]=C(NCCC(C)(C)C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261656629 528805363 /nfs/dbraw/zinc/80/53/63/528805363.db2.gz ANDWCQNYRGWHNF-OAHLLOKOSA-N 1 0 321.469 2.195 10 30 DEEERO CC[NH+]=C(NCCc1ccco1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262682025 528807699 /nfs/dbraw/zinc/80/76/99/528807699.db2.gz SXMZHVMJJWRYRL-CQSZACIVSA-N 1 0 315.421 2.011 10 30 DEEERO Cn1nccc1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160670117 624022463 /nfs/dbraw/zinc/02/24/63/624022463.db2.gz BDFAWJXXICVKQM-UHFFFAOYSA-N 1 0 313.283 2.246 10 30 DEEERO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735311512 633501302 /nfs/dbraw/zinc/50/13/02/633501302.db2.gz ROFKYHLKKDOVHB-GFCCVEGCSA-N 1 0 321.808 2.200 10 30 DEEERO CCC(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000121454060 650117022 /nfs/dbraw/zinc/11/70/22/650117022.db2.gz PRUJZSCDKIGACP-HOTGVXAUSA-N 1 0 322.449 2.054 10 30 DEEERO COc1cccc(C(C)(C)CNC(=[NH2+])NC[C@@H]2CCCO2)c1 ZINC000178545174 635697246 /nfs/dbraw/zinc/69/72/46/635697246.db2.gz SLXVYWXVAOPZCN-HNNXBMFYSA-N 1 0 305.422 2.056 10 30 DEEERO C[C@H]1CN([C@H](CNC(=[NH2+])NC(C)(C)C)c2cccs2)CCO1 ZINC000262477169 639255142 /nfs/dbraw/zinc/25/51/42/639255142.db2.gz QLEWUUWXXYBCQR-QWHCGFSZSA-N 1 0 324.494 2.213 10 30 DEEERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=[NH2+])N(C)C)O[C@@H](C)C2 ZINC000262515219 639397899 /nfs/dbraw/zinc/39/78/99/639397899.db2.gz GBUPVDOQVNGPIS-JKOKRWQUSA-N 1 0 303.406 2.141 10 30 DEEERO C[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000729878357 640849665 /nfs/dbraw/zinc/84/96/65/640849665.db2.gz QRWKXRPDYACUBA-ZDUSSCGKSA-N 1 0 318.396 2.371 10 30 DEEERO C#Cc1ccc(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)nc1 ZINC000803120882 645610017 /nfs/dbraw/zinc/61/00/17/645610017.db2.gz SKIXDPNDLMJWDX-UHFFFAOYSA-N 1 0 311.429 2.471 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000807678624 645976308 /nfs/dbraw/zinc/97/63/08/645976308.db2.gz CFBBNRXUBJUUCC-GDBMZVCRSA-N 1 0 300.402 2.488 10 30 DEEERO C=C(Br)CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000174376747 646805786 /nfs/dbraw/zinc/80/57/86/646805786.db2.gz WOUNZFMEHXGPHW-QWRGUYRKSA-N 1 0 304.232 2.019 10 30 DEEERO C#CCCCNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000174634741 646844457 /nfs/dbraw/zinc/84/44/57/646844457.db2.gz IWMODNBCNLQNQP-UHFFFAOYSA-N 1 0 314.433 2.363 10 30 DEEERO CSCCCCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000304743888 685258859 /nfs/dbraw/zinc/25/88/59/685258859.db2.gz DLBRHUWGRGYLIC-UHFFFAOYSA-N 1 0 324.469 2.406 10 30 DEEERO CCc1nn(C)c(CC)c1CNC(=[NH2+])NCCc1cccs1 ZINC000305321122 685287584 /nfs/dbraw/zinc/28/75/84/685287584.db2.gz LJILCPYBYXXEPQ-UHFFFAOYSA-N 1 0 319.478 2.253 10 30 DEEERO CC[C@H]1COCCN1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131189096 684197397 /nfs/dbraw/zinc/19/73/97/684197397.db2.gz WTCJVKXIIAIRGD-INIZCTEOSA-N 1 0 311.389 2.194 10 30 DEEERO C[NH+]=C(NCCn1cc(C)cn1)N1CCC2(C1)CCCCC2 ZINC000131905115 684203457 /nfs/dbraw/zinc/20/34/57/684203457.db2.gz VQWCJBKMLWEXRT-UHFFFAOYSA-N 1 0 303.454 2.423 10 30 DEEERO [NH2+]=C(NCc1cccc(-c2ccccn2)c1)NC[C@@H]1CCCO1 ZINC000158582522 684301396 /nfs/dbraw/zinc/30/13/96/684301396.db2.gz IDFGPFHQNXYAAO-INIZCTEOSA-N 1 0 310.401 2.332 10 30 DEEERO COC(=O)c1ccc(CNC(=[NH2+])Nc2ccc(OC)cc2)cc1 ZINC000303691128 685233201 /nfs/dbraw/zinc/23/32/01/685233201.db2.gz AHYFGERFKKAMHA-UHFFFAOYSA-N 1 0 313.357 2.409 10 30 DEEERO [NH2+]=C(NCCC(=O)NC1CCCCC1)NCCc1cccs1 ZINC000303871041 685236319 /nfs/dbraw/zinc/23/63/19/685236319.db2.gz FPSOTAUTRDIINK-UHFFFAOYSA-N 1 0 322.478 2.034 10 30 DEEERO CCN(C(=O)C[N+]12CCN(CC1)CC2)c1cccc2ccccc21 ZINC000029219637 717116191 /nfs/dbraw/zinc/11/61/91/717116191.db2.gz CEVQZVMJAHDCHP-UHFFFAOYSA-N 1 0 324.448 2.339 10 30 DEEERO CCCCCCCCCC[C@@H](O)C[N+](C)(CCO)CCO ZINC000060044861 717131878 /nfs/dbraw/zinc/13/18/78/717131878.db2.gz PPNLVOFPDVCCKT-QGZVFWFLSA-N 1 0 304.495 2.309 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000716830286 793009038 /nfs/dbraw/zinc/00/90/38/793009038.db2.gz VGPSPTNSSXCWCW-JJXSEGSLSA-N 1 0 322.449 2.402 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000716827003 793009085 /nfs/dbraw/zinc/00/90/85/793009085.db2.gz CIHVXMSVFDXOAT-SOUVJXGZSA-N 1 0 310.438 2.402 10 30 DEEERO C[C@]12C[NH2+]C[C@H]1CN(c1ccc(Br)cc1C#N)C2 ZINC000703585405 1086524686 /nfs/dbraw/zinc/52/46/86/1086524686.db2.gz ZRAKGAJCBCUXJZ-SMDDNHRTSA-N 1 0 306.207 2.366 10 30 DEEERO C=C(Br)C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710949723 1086691691 /nfs/dbraw/zinc/69/16/91/1086691691.db2.gz XYYJKIQUJZXWJQ-UHFFFAOYSA-N 1 0 305.216 2.352 10 30 DEEERO CC[C@]1(C)CCN(C(NCC(=O)Nc2ccc(F)cc2)=[NH+]C)C1 ZINC000261818768 529396141 /nfs/dbraw/zinc/39/61/41/529396141.db2.gz UETMRBGQFIHWNS-QGZVFWFLSA-N 1 0 320.412 2.462 10 30 DEEERO CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1ccccc1C#CC[NH3+] ZINC000088310902 185245236 /nfs/dbraw/zinc/24/52/36/185245236.db2.gz LLPYNQFRWCZOML-ZIAGYGMSSA-N 1 0 308.447 2.100 10 30 DEEERO Cn1nccc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181480249 199304483 /nfs/dbraw/zinc/30/44/83/199304483.db2.gz GXQWZNHPDYRQOP-UHFFFAOYSA-N 1 0 309.417 2.046 10 30 DEEERO C=C(C)C[N@H+](CCOC1CCOCC1)Cc1ccc(CO)o1 ZINC000625423567 365777643 /nfs/dbraw/zinc/77/76/43/365777643.db2.gz OQSLZPOCBYXOBI-UHFFFAOYSA-N 1 0 309.406 2.346 10 30 DEEERO N#Cc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc2ccccc12 ZINC000078405387 539366783 /nfs/dbraw/zinc/36/67/83/539366783.db2.gz FKVAETKZCQKWLK-OAHLLOKOSA-N 1 0 322.412 2.265 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1cncc1C)C(C)C ZINC000625556826 365828541 /nfs/dbraw/zinc/82/85/41/365828541.db2.gz JWQYMHXMPWYDEI-MRXNPFEDSA-N 1 0 304.438 2.006 10 30 DEEERO C=CC[C@H]1CC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000625702324 365875313 /nfs/dbraw/zinc/87/53/13/365875313.db2.gz XIDOFBUNLGWFKC-GOEBONIOSA-N 1 0 300.402 2.004 10 30 DEEERO C[NH+](C)Cc1ccc2c(c1)C(C#N)N(Cc1ccccn1)C2=O ZINC000071680477 191006034 /nfs/dbraw/zinc/00/60/34/191006034.db2.gz RBSGCLABHAOZEQ-QGZVFWFLSA-N 1 0 306.369 2.364 10 30 DEEERO C=CCN(CCC)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139260129 186020878 /nfs/dbraw/zinc/02/08/78/186020878.db2.gz KDEZLRWXSXIFEF-UHFFFAOYSA-N 1 0 304.362 2.010 10 30 DEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000076737868 355165512 /nfs/dbraw/zinc/16/55/12/355165512.db2.gz GRPFTFFWIGVSDO-MRXNPFEDSA-N 1 0 316.449 2.017 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000595603213 358497709 /nfs/dbraw/zinc/49/77/09/358497709.db2.gz KZPLSVLLVLBASW-YCPHGPKFSA-N 1 0 310.438 2.025 10 30 DEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NCc1ccco1 ZINC000595605359 358498541 /nfs/dbraw/zinc/49/85/41/358498541.db2.gz XCTUNKXMVIEFNW-UKRRQHHQSA-N 1 0 319.405 2.330 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000126677853 355818182 /nfs/dbraw/zinc/81/81/82/355818182.db2.gz UAOFUBPDSXQFOP-NWDGAFQWSA-N 1 0 307.369 2.185 10 30 DEEERO C[N@@H+](Cc1ccccc1)C[C@H](O)CN(CC#N)C1CCCC1 ZINC000304315376 356397610 /nfs/dbraw/zinc/39/76/10/356397610.db2.gz RKWOKLRFUFEKIH-SFHVURJKSA-N 1 0 301.434 2.247 10 30 DEEERO N#Cc1cnc2c(Br)cccc2c1N1CC[NH2+]CC1 ZINC000420129522 283239148 /nfs/dbraw/zinc/23/91/48/283239148.db2.gz VFPGWXOEHWUCCM-UHFFFAOYSA-N 1 0 317.190 2.279 10 30 DEEERO C=CCC[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595765712 358543670 /nfs/dbraw/zinc/54/36/70/358543670.db2.gz VETQXRXGZKBIAN-QGZVFWFLSA-N 1 0 300.402 2.481 10 30 DEEERO C=CCC[C@H](O)C[N@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595922164 358582023 /nfs/dbraw/zinc/58/20/23/358582023.db2.gz YTKIDVOMUZSKAM-STQMWFEESA-N 1 0 324.446 2.436 10 30 DEEERO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCC[C@H]1C(=O)OCC ZINC000595840723 358562223 /nfs/dbraw/zinc/56/22/23/358562223.db2.gz DECCIWQTGNPBID-XHSDSOJGSA-N 1 0 320.433 2.114 10 30 DEEERO C=CC[C@]1(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000595951417 358585546 /nfs/dbraw/zinc/58/55/46/358585546.db2.gz KYKDDSSUDSQFCB-OAHLLOKOSA-N 1 0 305.334 2.240 10 30 DEEERO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627207351 366478789 /nfs/dbraw/zinc/47/87/89/366478789.db2.gz ORBFEWZIGQKFPN-UONOGXRCSA-N 1 0 321.421 2.000 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)OC)C1 ZINC000599526036 359516293 /nfs/dbraw/zinc/51/62/93/359516293.db2.gz CFMFBPKFNVSIFM-ZDUSSCGKSA-N 1 0 302.374 2.310 10 30 DEEERO C=CCN(CCC#N)C(=O)[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC000602154402 360289969 /nfs/dbraw/zinc/28/99/69/360289969.db2.gz RXYORMSXHVUVPN-KRWDZBQOSA-N 1 0 313.401 2.198 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602913098 360623787 /nfs/dbraw/zinc/62/37/87/360623787.db2.gz SMTAPNLUUMCKKT-UHFFFAOYSA-N 1 0 324.428 2.333 10 30 DEEERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3ccccc3n2CC#N)C1 ZINC000609357438 361306261 /nfs/dbraw/zinc/30/62/61/361306261.db2.gz IOUXNXSDQWWYOM-CQSZACIVSA-N 1 0 310.401 2.236 10 30 DEEERO CC[C@@H]1CN(c2cc(C#N)c3ccccc3n2)CC[N@@H+]1C[C@@H](C)O ZINC000610276495 361378949 /nfs/dbraw/zinc/37/89/49/361378949.db2.gz ALEAOFZYPTUZON-GDBMZVCRSA-N 1 0 324.428 2.388 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000623466522 365040158 /nfs/dbraw/zinc/04/01/58/365040158.db2.gz BUOAQLIKGYCONY-QGZVFWFLSA-N 1 0 322.497 2.012 10 30 DEEERO C=CCOc1cccc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1 ZINC000623840182 365195662 /nfs/dbraw/zinc/19/56/62/365195662.db2.gz RDXKHEIRPDBMFL-QGZVFWFLSA-N 1 0 300.402 2.494 10 30 DEEERO [NH3+]CC#Cc1cc(C(=O)N(CC(F)(F)F)C2CC2)cs1 ZINC000093976215 193332888 /nfs/dbraw/zinc/33/28/88/193332888.db2.gz WCVICDLBGOTESX-UHFFFAOYSA-N 1 0 302.321 2.225 10 30 DEEERO C#CC[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000271726668 209159410 /nfs/dbraw/zinc/15/94/10/209159410.db2.gz RLAQIFQFIHWYAS-DOTOQJQBSA-N 1 0 320.458 2.012 10 30 DEEERO Cc1cc(C#N)ccc1-c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000274007424 211265090 /nfs/dbraw/zinc/26/50/90/211265090.db2.gz MTINEWOPPPZOBI-DZGCQCFKSA-N 1 0 310.357 2.452 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccccc2C#N)C[C@H]1CC ZINC000106118596 194188503 /nfs/dbraw/zinc/18/85/03/194188503.db2.gz RCXZQYYSBSVXQX-GOSISDBHSA-N 1 0 301.434 2.491 10 30 DEEERO [NH3+]CC#Cc1ccc(CSc2nnc3ccccn32)s1 ZINC000061407644 184170375 /nfs/dbraw/zinc/17/03/75/184170375.db2.gz VQOXCTZSJZVJGA-UHFFFAOYSA-N 1 0 300.412 2.393 10 30 DEEERO Cc1ccc(C#CC[NH3+])cc1S(=O)(=O)NCCCC(C)C ZINC000062096785 184205941 /nfs/dbraw/zinc/20/59/41/184205941.db2.gz RKPCVWIMTRMUEZ-UHFFFAOYSA-N 1 0 308.447 2.020 10 30 DEEERO CC(C)C[NH2+]Cc1cc(Cl)ccc1OCC(=O)NCC#N ZINC000062730934 184251459 /nfs/dbraw/zinc/25/14/59/184251459.db2.gz OXAPNROHPHPIMD-UHFFFAOYSA-N 1 0 309.797 2.104 10 30 DEEERO OCCC#Cc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)s1 ZINC000062967946 184263359 /nfs/dbraw/zinc/26/33/59/184263359.db2.gz XGABMXFGHULGCX-HNNXBMFYSA-N 1 0 304.459 2.152 10 30 DEEERO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCOCC1 ZINC000119603257 195000960 /nfs/dbraw/zinc/00/09/60/195000960.db2.gz GVIFUFZARGGYAV-UHFFFAOYSA-N 1 0 301.390 2.386 10 30 DEEERO [NH3+]CC#Cc1csc(Cn2sc3ccccc3c2=O)c1 ZINC000159203198 197336046 /nfs/dbraw/zinc/33/60/46/197336046.db2.gz KUXZEYZWPUOMEI-UHFFFAOYSA-N 1 0 300.408 2.483 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000120211591 195119795 /nfs/dbraw/zinc/11/97/95/195119795.db2.gz HSUGJGCGSAHJBS-AWEZNQCLSA-N 1 0 315.417 2.174 10 30 DEEERO CC1(C)CN(C(=O)c2ccc(F)cc2C#CC[NH3+])CCS1 ZINC000159029491 197321030 /nfs/dbraw/zinc/32/10/30/197321030.db2.gz ARWBEFXDOGLARE-UHFFFAOYSA-N 1 0 306.406 2.104 10 30 DEEERO C=C[C@](C)(C[NH2+]CC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000158967624 197315348 /nfs/dbraw/zinc/31/53/48/197315348.db2.gz NEDBUKHXOJZUEK-CVEARBPZSA-N 1 0 316.511 2.486 10 30 DEEERO N#Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000156445918 197114692 /nfs/dbraw/zinc/11/46/92/197114692.db2.gz YKPWQUWJTSACAT-HOCLYGCPSA-N 1 0 306.431 2.173 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000177707342 285274744 /nfs/dbraw/zinc/27/47/44/285274744.db2.gz NTWMZFBSWWQVDN-HOTGVXAUSA-N 1 0 320.481 2.134 10 30 DEEERO COc1ccc2cc(CNC(=[NH2+])NC[C@@H]3CCCO3)ccc2c1 ZINC000261900366 533326566 /nfs/dbraw/zinc/32/65/66/533326566.db2.gz VWGINKGZIPBELM-KRWDZBQOSA-N 1 0 313.401 2.432 10 30 DEEERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1C ZINC000251899681 145196817 /nfs/dbraw/zinc/19/68/17/145196817.db2.gz QWMVERKQGMWDRJ-CZUORRHYSA-N 1 0 301.390 2.244 10 30 DEEERO N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000127364130 401730856 /nfs/dbraw/zinc/73/08/56/401730856.db2.gz QXOADBLEAQMWOT-AEFFLSMTSA-N 1 0 322.412 2.421 10 30 DEEERO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000110995476 401697165 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C=CCOc1ccccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093664527 402018371 /nfs/dbraw/zinc/01/83/71/402018371.db2.gz NAOKVYQWNYJGCA-QGZVFWFLSA-N 1 0 316.445 2.406 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000052594122 402044212 /nfs/dbraw/zinc/04/42/12/402044212.db2.gz FFCXWQQSMUSZAM-INIZCTEOSA-N 1 0 300.406 2.184 10 30 DEEERO N#Cc1ccccc1OCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152411387 402094870 /nfs/dbraw/zinc/09/48/70/402094870.db2.gz MKGGBQBSBMPPQS-KRWDZBQOSA-N 1 0 309.369 2.485 10 30 DEEERO N#Cc1ccc(OCC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152538609 402099728 /nfs/dbraw/zinc/09/97/28/402099728.db2.gz WTJWOCUYCVGPJN-GOSISDBHSA-N 1 0 309.369 2.485 10 30 DEEERO CC(C)C[C@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)[NH+](C)C ZINC000103339830 402185099 /nfs/dbraw/zinc/18/50/99/402185099.db2.gz CZYXYEZZRVUMQW-GOEBONIOSA-N 1 0 317.433 2.418 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103451824 402189188 /nfs/dbraw/zinc/18/91/88/402189188.db2.gz KWCYFWBGGIMXDL-CQSZACIVSA-N 1 0 315.417 2.126 10 30 DEEERO C[C@H](C(=O)NC1CC1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000069656976 402237153 /nfs/dbraw/zinc/23/71/53/402237153.db2.gz STXKEOQKWHMJAE-CYBMUJFWSA-N 1 0 313.401 2.069 10 30 DEEERO CN(c1cnc(C#N)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000126126906 402265524 /nfs/dbraw/zinc/26/55/24/402265524.db2.gz AVNVOAKCGDVKLH-QGZVFWFLSA-N 1 0 307.401 2.449 10 30 DEEERO N#Cc1cccc(OCCC[NH+]2CCC(n3cncn3)CC2)c1 ZINC000155937280 402271018 /nfs/dbraw/zinc/27/10/18/402271018.db2.gz GOYABVLMRZRLRG-UHFFFAOYSA-N 1 0 311.389 2.256 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000184587356 402280144 /nfs/dbraw/zinc/28/01/44/402280144.db2.gz ZVUDAEJRCOEAGB-YJBOKZPZSA-N 1 0 316.445 2.124 10 30 DEEERO C=CCC(CC=C)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000177111302 402371214 /nfs/dbraw/zinc/37/12/14/402371214.db2.gz IXSYDYQKETVWNG-HNNXBMFYSA-N 1 0 306.450 2.467 10 30 DEEERO C=CCCOCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000161353678 402384379 /nfs/dbraw/zinc/38/43/79/402384379.db2.gz PKNYLGMATBHQOC-INIZCTEOSA-N 1 0 305.422 2.181 10 30 DEEERO C=CCCOCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000161353795 402384443 /nfs/dbraw/zinc/38/44/43/402384443.db2.gz PKNYLGMATBHQOC-MRXNPFEDSA-N 1 0 305.422 2.181 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177532647 402413455 /nfs/dbraw/zinc/41/34/55/402413455.db2.gz YEFIFLBQUBCGSF-UHFFFAOYSA-N 1 0 314.433 2.424 10 30 DEEERO C[C@@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2sccc2C#N)C1 ZINC000187983705 402514492 /nfs/dbraw/zinc/51/44/92/402514492.db2.gz IFYVAAGGRVOPHV-WBMJQRKESA-N 1 0 321.446 2.431 10 30 DEEERO N#Cc1ccc2ncc(C[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)n2c1 ZINC000245811937 402489647 /nfs/dbraw/zinc/48/96/47/402489647.db2.gz ZMFFFBSNQINWBN-YJBOKZPZSA-N 1 0 310.401 2.333 10 30 DEEERO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(C#N)o2)[C@@H](C)C1 ZINC000246079212 402508128 /nfs/dbraw/zinc/50/81/28/402508128.db2.gz FSXXQLGUQPJYMN-WMLDXEAASA-N 1 0 305.422 2.378 10 30 DEEERO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000248055834 402581244 /nfs/dbraw/zinc/58/12/44/402581244.db2.gz XHTGQRQAUKPYGI-RCCFBDPRSA-N 1 0 300.402 2.219 10 30 DEEERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CCCC#N)CC1 ZINC000190353721 402594306 /nfs/dbraw/zinc/59/43/06/402594306.db2.gz SQCMOLKRKRMAHK-UHFFFAOYSA-N 1 0 309.454 2.418 10 30 DEEERO CC(C)(C#N)CCC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000174839084 402759827 /nfs/dbraw/zinc/75/98/27/402759827.db2.gz ZEWVXJRTRUKVQO-UHFFFAOYSA-N 1 0 304.438 2.385 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OC ZINC000184278770 402832582 /nfs/dbraw/zinc/83/25/82/402832582.db2.gz UDVOIVWINWCTBO-LBPRGKRZSA-N 1 0 300.196 2.484 10 30 DEEERO C=CCCO[C@@H](C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000265348966 402911970 /nfs/dbraw/zinc/91/19/70/402911970.db2.gz WYDKZORVYYHKTM-ZDUSSCGKSA-N 1 0 308.397 2.485 10 30 DEEERO C#CCC(CC#C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000277778205 403255757 /nfs/dbraw/zinc/25/57/57/403255757.db2.gz UEEIISJZKUYMIQ-UHFFFAOYSA-N 1 0 314.404 2.379 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC=C(c2ccnn2C)CC1 ZINC000285241252 403279966 /nfs/dbraw/zinc/27/99/66/403279966.db2.gz BSQJOCQWJIEJAH-OAHLLOKOSA-N 1 0 316.449 2.322 10 30 DEEERO C=CCCCN(C)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000347023428 403612181 /nfs/dbraw/zinc/61/21/81/403612181.db2.gz CGEZFQYYNVGJHU-UHFFFAOYSA-N 1 0 311.470 2.483 10 30 DEEERO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]21 ZINC000301632645 403656111 /nfs/dbraw/zinc/65/61/11/403656111.db2.gz DDGBRGHAZBRTQY-ZIAGYGMSSA-N 1 0 311.307 2.096 10 30 DEEERO N#Cc1cc(F)c(N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000301713937 403668507 /nfs/dbraw/zinc/66/85/07/403668507.db2.gz IZWRDMOVZDEKRA-KBPBESRZSA-N 1 0 321.371 2.262 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@H+]1CC=CCC1 ZINC000288169805 403738781 /nfs/dbraw/zinc/73/87/81/403738781.db2.gz NPPHQLNXJNURFE-SFHVURJKSA-N 1 0 311.429 2.182 10 30 DEEERO C[C@H](CCC#N)[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000411572075 403899722 /nfs/dbraw/zinc/89/97/22/403899722.db2.gz QWXSCHUCLIWUSJ-SJLPKXTDSA-N 1 0 301.434 2.247 10 30 DEEERO C=CCn1c(-c2cccnc2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000290337211 404129785 /nfs/dbraw/zinc/12/97/85/404129785.db2.gz JIZIBBHRLBOWOD-UHFFFAOYSA-N 1 0 312.421 2.058 10 30 DEEERO Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCN1C ZINC000329018252 404203986 /nfs/dbraw/zinc/20/39/86/404203986.db2.gz KWZGDQBZPLQPHL-JYYAWHABSA-N 1 0 301.438 2.085 10 30 DEEERO Cn1cc([NH+]=C([O-])N[C@H]2CCc3nc(C(C)(C)C)cn3C2)cn1 ZINC000329302490 404293891 /nfs/dbraw/zinc/29/38/91/404293891.db2.gz WLCXBRLPDKJREA-NSHDSACASA-N 1 0 316.409 2.255 10 30 DEEERO CC[N@@H+]1CCC[C@@H](NC(=O)CN2c3ccccc3CCC2=O)C1 ZINC000329356869 404311457 /nfs/dbraw/zinc/31/14/57/404311457.db2.gz HEROGFHANZHNDP-OAHLLOKOSA-N 1 0 315.417 2.407 10 30 DEEERO C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)C1=CC[N@H+](C)CC1 ZINC000329362760 404313730 /nfs/dbraw/zinc/31/37/30/404313730.db2.gz ZDXJHVFYBCFAQT-IACUBPJLSA-N 1 0 308.426 2.234 10 30 DEEERO C[C@H](NC(=O)C1(C(=O)N(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329397910 404324576 /nfs/dbraw/zinc/32/45/76/404324576.db2.gz WTCRLTGKBCDLKH-KBPBESRZSA-N 1 0 321.465 2.464 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000355784192 404366845 /nfs/dbraw/zinc/36/68/45/404366845.db2.gz OLIXQKGPPFSPDG-WMZOPIPTSA-N 1 0 306.450 2.468 10 30 DEEERO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000352466720 404390294 /nfs/dbraw/zinc/39/02/94/404390294.db2.gz FAMZSTDVNDWATB-CHWSQXEVSA-N 1 0 322.371 2.094 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000297514592 404568460 /nfs/dbraw/zinc/56/84/60/404568460.db2.gz HCJAORUXWBVCOE-SFHVURJKSA-N 1 0 311.429 2.295 10 30 DEEERO C=C(C)CN(CC)C(=O)CN1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000373966497 404657712 /nfs/dbraw/zinc/65/77/12/404657712.db2.gz BMSUBFKJPIOHJD-BQFCYCMXSA-N 1 0 324.465 2.069 10 30 DEEERO C=CCOc1cccc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1 ZINC000353048003 404731756 /nfs/dbraw/zinc/73/17/56/404731756.db2.gz OPJCGVLMOVHVOE-ZDUSSCGKSA-N 1 0 309.431 2.307 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000358283333 404758766 /nfs/dbraw/zinc/75/87/66/404758766.db2.gz UJENTXSFYCNMMX-GDBMZVCRSA-N 1 0 309.454 2.020 10 30 DEEERO C[C@H]([NH2+][C@@H](C)[C@H](C)N1CCOCC1)c1ccc(C#N)cc1F ZINC000358561426 404766364 /nfs/dbraw/zinc/76/63/64/404766364.db2.gz SEVGAKXKRTUERM-IHRRRGAJSA-N 1 0 305.397 2.457 10 30 DEEERO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415197351 404825845 /nfs/dbraw/zinc/82/58/45/404825845.db2.gz CSVKLLOULQMKBU-CQSZACIVSA-N 1 0 303.406 2.206 10 30 DEEERO C=CCOCCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000360640183 404833015 /nfs/dbraw/zinc/83/30/15/404833015.db2.gz XFPSYEDYVKLLDW-KRWDZBQOSA-N 1 0 317.433 2.105 10 30 DEEERO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415874744 404959413 /nfs/dbraw/zinc/95/94/13/404959413.db2.gz XMAYZCAXYKXCAO-HNNXBMFYSA-N 1 0 315.417 2.002 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415812819 404948882 /nfs/dbraw/zinc/94/88/82/404948882.db2.gz TUWWJUYGQPLFSO-QWHCGFSZSA-N 1 0 317.433 2.329 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000424179366 405030550 /nfs/dbraw/zinc/03/05/50/405030550.db2.gz YHWAHKCTYAPBTM-JSGCOSHPSA-N 1 0 304.415 2.281 10 30 DEEERO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2COc2cccnc2C)C1=O ZINC000419381988 405246461 /nfs/dbraw/zinc/24/64/61/405246461.db2.gz CZQKEIGEMFIUGK-HOTGVXAUSA-N 1 0 315.417 2.020 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000425857794 405324768 /nfs/dbraw/zinc/32/47/68/405324768.db2.gz PVCOHYZQCVGAFJ-JONQDZQNSA-N 1 0 309.454 2.092 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000448606194 405426527 /nfs/dbraw/zinc/42/65/27/405426527.db2.gz NPANPXYFEUSXLJ-MRXNPFEDSA-N 1 0 314.364 2.069 10 30 DEEERO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(C#N)n2C)C1 ZINC000448711767 405440138 /nfs/dbraw/zinc/44/01/38/405440138.db2.gz YZUQSZTYAWJPOU-CQSZACIVSA-N 1 0 302.422 2.139 10 30 DEEERO C=CC[C@@]1(C(=O)N[C@H]2COc3cccc(C)c3C2)CCC[NH2+]1 ZINC000638472992 405493112 /nfs/dbraw/zinc/49/31/12/405493112.db2.gz HNRANLNJZXCNNP-KDOFPFPSSA-N 1 0 300.402 2.113 10 30 DEEERO C=CCC[C@H](CO)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000456778050 405562447 /nfs/dbraw/zinc/56/24/47/405562447.db2.gz NPWHXMBGXMACCA-QGZVFWFLSA-N 1 0 302.418 2.339 10 30 DEEERO C=CCC1(C(=O)NCc2cccc3c2CC[NH2+]C3)CCOCC1 ZINC000638846434 405711840 /nfs/dbraw/zinc/71/18/40/405711840.db2.gz YPSBFLZKXNMKOK-UHFFFAOYSA-N 1 0 314.429 2.321 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000636480524 405981379 /nfs/dbraw/zinc/98/13/79/405981379.db2.gz KKMPKPBJVOQVMY-UHFFFAOYSA-N 1 0 323.481 2.087 10 30 DEEERO C=CCC1([NH2+]Cc2ccc(S(N)(=O)=O)s2)CCCC1 ZINC000639322842 406045376 /nfs/dbraw/zinc/04/53/76/406045376.db2.gz YAJHGMDREVUAEF-UHFFFAOYSA-N 1 0 300.449 2.374 10 30 DEEERO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)C1 ZINC000632463152 406149279 /nfs/dbraw/zinc/14/92/79/406149279.db2.gz GBTVTKMOSGNDAJ-IYBDPMFKSA-N 1 0 305.466 2.018 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000519579524 406214089 /nfs/dbraw/zinc/21/40/89/406214089.db2.gz DLCOCCXUOWGLBD-WMLDXEAASA-N 1 0 303.406 2.005 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000569796842 406303568 /nfs/dbraw/zinc/30/35/68/406303568.db2.gz QGOQSMIXMTXWFH-JDCLWGPVSA-N 1 0 318.461 2.395 10 30 DEEERO C=C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000489470034 406410508 /nfs/dbraw/zinc/41/05/08/406410508.db2.gz FNQUAJBWYOBIDG-UONOGXRCSA-N 1 0 305.374 2.196 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000637623732 406369958 /nfs/dbraw/zinc/36/99/58/406369958.db2.gz LMULWMZNQKIWRX-JKSUJKDBSA-N 1 0 323.481 2.219 10 30 DEEERO C=CCCCCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000573814792 406777869 /nfs/dbraw/zinc/77/78/69/406777869.db2.gz VFLOVIIQIUGEDE-UHFFFAOYSA-N 1 0 323.481 2.487 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527896050 406782618 /nfs/dbraw/zinc/78/26/18/406782618.db2.gz BUMPQKLBDGNJHJ-PVAVHDDUSA-N 1 0 321.465 2.284 10 30 DEEERO C[C@H]([NH3+])c1ccc(Br)cc1N1CCO[C@H](C#N)C1 ZINC000129023663 196013104 /nfs/dbraw/zinc/01/31/04/196013104.db2.gz AYHYKGLZTIFZNY-GXSJLCMTSA-N 1 0 310.195 2.198 10 30 DEEERO C#CC[C@H](CC)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1 ZINC000131275258 196156564 /nfs/dbraw/zinc/15/65/64/196156564.db2.gz RVZOFHVINFAHCD-HNNXBMFYSA-N 1 0 308.447 2.265 10 30 DEEERO CC[NH2+][C@@H]1CCCN(c2ccc(Br)cc2C#N)C1=O ZINC000133027217 196305901 /nfs/dbraw/zinc/30/59/01/196305901.db2.gz LBZUEPDUIFICMI-GFCCVEGCSA-N 1 0 322.206 2.426 10 30 DEEERO CSc1cccc(N2CC[NH+](CC(C)(C)O)CC2)c1C#N ZINC000136670814 196547190 /nfs/dbraw/zinc/54/71/90/196547190.db2.gz MLKCOYPQNVPBEO-UHFFFAOYSA-N 1 0 305.447 2.173 10 30 DEEERO Cn1ccnc1[C@@H](O)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192120965 225126214 /nfs/dbraw/zinc/12/62/14/225126214.db2.gz CMGDSKFMUPZDDR-SFHVURJKSA-N 1 0 309.413 2.217 10 30 DEEERO Cc1csc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000195329117 225201560 /nfs/dbraw/zinc/20/15/60/225201560.db2.gz DRAJZEMVNGYSAD-KBPBESRZSA-N 1 0 320.462 2.392 10 30 DEEERO Cc1nc(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)no1 ZINC000262339092 225268825 /nfs/dbraw/zinc/26/88/25/225268825.db2.gz BZWMUUVKHUBRKI-UHFFFAOYSA-N 1 0 315.255 2.203 10 30 DEEERO Cc1oc2ccccc2c1CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262348958 225269379 /nfs/dbraw/zinc/26/93/79/225269379.db2.gz DUJUVLYEJNIWCY-CYBMUJFWSA-N 1 0 301.390 2.367 10 30 DEEERO [NH2+]=C(NC[C@H](O)c1cc2ccccc2s1)NC[C@H]1CCCO1 ZINC000262397759 225269959 /nfs/dbraw/zinc/26/99/59/225269959.db2.gz NFCOLAUKNDKWBN-OLZOCXBDSA-N 1 0 319.430 2.018 10 30 DEEERO [NH2+]=C(NCc1cccc(-c2cccnc2)c1)NC[C@H]1CCCO1 ZINC000262374258 225270274 /nfs/dbraw/zinc/27/02/74/225270274.db2.gz JCUZEMKGMLPCNA-QGZVFWFLSA-N 1 0 310.401 2.332 10 30 DEEERO [NH2+]=C(NCc1cc(F)cc2c1OCOC2)N1CCCCCC1 ZINC000262529242 225276735 /nfs/dbraw/zinc/27/67/35/225276735.db2.gz PFGOOLVKHQHEGZ-UHFFFAOYSA-N 1 0 307.369 2.383 10 30 DEEERO C[S@@](=O)Cc1ccc(CNC(=[NH2+])NC2CCCCC2)cc1 ZINC000262676695 225282174 /nfs/dbraw/zinc/28/21/74/225282174.db2.gz UFXKIZMNYWWNLU-OAQYLSRUSA-N 1 0 307.463 2.302 10 30 DEEERO [NH2+]=C(NCc1cnc(C2CC2)o1)N[C@H]1CCOc2ccccc21 ZINC000263056178 225290542 /nfs/dbraw/zinc/29/05/42/225290542.db2.gz DZHWWRSRZNLCCT-AWEZNQCLSA-N 1 0 312.373 2.480 10 30 DEEERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC(O)(C3CC3)C2)C1 ZINC000329238682 225852953 /nfs/dbraw/zinc/85/29/53/225852953.db2.gz LIQXWMVOVANFOG-ZIAGYGMSSA-N 1 0 323.481 2.114 10 30 DEEERO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000407470393 424933077 /nfs/dbraw/zinc/93/30/77/424933077.db2.gz YRPBNUSZQQXPDY-CVEARBPZSA-N 1 0 313.401 2.072 10 30 DEEERO C#CCOc1ccccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246875917 275384934 /nfs/dbraw/zinc/38/49/34/275384934.db2.gz SVRSJDCGSININC-NVXWUHKLSA-N 1 0 303.427 2.405 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000245428053 276170087 /nfs/dbraw/zinc/17/00/87/276170087.db2.gz MJMARFMKTHHMBL-RHSMWYFYSA-N 1 0 314.433 2.301 10 30 DEEERO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000333820076 281280618 /nfs/dbraw/zinc/28/06/18/281280618.db2.gz QYXCDPIMATXMJP-CWRNSKLLSA-N 1 0 318.465 2.488 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000566140096 331992129 /nfs/dbraw/zinc/99/21/29/331992129.db2.gz OHLAYNCTWQMENZ-WCVJEAGWSA-N 1 0 309.454 2.140 10 30 DEEERO CNc1cc(N2CCC[C@H]2C[NH2+]CC(C)(C)CCC#N)ncn1 ZINC000174360776 333085540 /nfs/dbraw/zinc/08/55/40/333085540.db2.gz IUJDNVMPHWFCCD-AWEZNQCLSA-N 1 0 316.453 2.407 10 30 DEEERO C=CCN1CC[C@H]([NH+]2CCC(Oc3ccc(F)cc3)CC2)C1=O ZINC000366893856 335315029 /nfs/dbraw/zinc/31/50/29/335315029.db2.gz IBEHUGWQLCVHBU-KRWDZBQOSA-N 1 0 318.392 2.456 10 30 DEEERO C=C(C)C[C@H](C)C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000546630378 341176172 /nfs/dbraw/zinc/17/61/72/341176172.db2.gz VPRUPXANURNQGD-AWEZNQCLSA-N 1 0 302.422 2.374 10 30 DEEERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)ncn1 ZINC000248877079 341389123 /nfs/dbraw/zinc/38/91/23/341389123.db2.gz JTDKOAVOIRJFMK-RBSFLKMASA-N 1 0 314.437 2.159 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCc2cc(Br)cs2)CCO1 ZINC000262432802 534272023 /nfs/dbraw/zinc/27/20/23/534272023.db2.gz FMRMZYYFEKMUPH-MRVPVSSYSA-N 1 0 318.240 2.046 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000459042224 534566694 /nfs/dbraw/zinc/56/66/94/534566694.db2.gz NDZUEIURHRSOIN-SJORKVTESA-N 1 0 323.481 2.483 10 30 DEEERO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1cnc(C#N)cn1 ZINC000127088671 521749742 /nfs/dbraw/zinc/74/97/42/521749742.db2.gz BUBIHYFDBKCJTI-UHFFFAOYSA-N 1 0 317.343 2.195 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NC[C@@H]1Cc2ccccc2O1 ZINC000261994607 534833632 /nfs/dbraw/zinc/83/36/32/534833632.db2.gz NJHCJNGJDHFJCH-ZDUSSCGKSA-N 1 0 301.415 2.199 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCC[C@@H]1O)Nc1cccc(OC(F)(F)F)c1 ZINC000262367350 534834287 /nfs/dbraw/zinc/83/42/87/534834287.db2.gz KTWAEAMPJYQSNU-CABZTGNLSA-N 1 0 317.311 2.473 10 30 DEEERO C=CCN(Cc1ccccc1)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000368670524 526352668 /nfs/dbraw/zinc/35/26/68/526352668.db2.gz FQDYBADKPUOGAI-ALOPSCKCSA-N 1 0 312.413 2.016 10 30 DEEERO C[NH+]=C(NCc1ccccn1)N[C@@H]1C[C@]1(C)c1ccccc1OC ZINC000262488933 526413841 /nfs/dbraw/zinc/41/38/41/526413841.db2.gz LTBMATSFSYUEBJ-IEBWSBKVSA-N 1 0 324.428 2.485 10 30 DEEERO C[NH+]=C(NCc1nccc2ccccc21)N1CC[C@H](COC)C1 ZINC000262450119 526415565 /nfs/dbraw/zinc/41/55/65/526415565.db2.gz JQTOTADTFFSLTG-AWEZNQCLSA-N 1 0 312.417 2.279 10 30 DEEERO C=CCNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190676174 526584754 /nfs/dbraw/zinc/58/47/54/526584754.db2.gz LEKRHENVWWHCKO-ZDUSSCGKSA-N 1 0 308.451 2.101 10 30 DEEERO C=C(C)Cn1c(C)nnc1N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000338804825 526723349 /nfs/dbraw/zinc/72/33/49/526723349.db2.gz DBCZCLQMZSKIIJ-INIZCTEOSA-N 1 0 321.469 2.100 10 30 DEEERO C=CCOCC[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000339110676 526773085 /nfs/dbraw/zinc/77/30/85/526773085.db2.gz IXHRNPMPNFNBSP-UHFFFAOYSA-N 1 0 318.446 2.324 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000340349599 527175574 /nfs/dbraw/zinc/17/55/74/527175574.db2.gz GSSLHSOYCLCNLX-INIZCTEOSA-N 1 0 323.481 2.182 10 30 DEEERO C=CCCC[C@H](C)[NH+]1CCN(Cc2nc(COC)no2)CC1 ZINC000444732283 527275620 /nfs/dbraw/zinc/27/56/20/527275620.db2.gz IKACNAMCFOZGGN-AWEZNQCLSA-N 1 0 308.426 2.078 10 30 DEEERO C=CCCOCCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000417962233 527354479 /nfs/dbraw/zinc/35/44/79/527354479.db2.gz OBXKRQHYNGINDM-UHFFFAOYSA-N 1 0 321.465 2.032 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000297590077 527435063 /nfs/dbraw/zinc/43/50/63/527435063.db2.gz MOWJMWBDQPRECU-UHFFFAOYSA-N 1 0 311.429 2.438 10 30 DEEERO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CCCCO1 ZINC000246387418 527892234 /nfs/dbraw/zinc/89/22/34/527892234.db2.gz VESLOKGRHZMHAV-DOTOQJQBSA-N 1 0 307.438 2.076 10 30 DEEERO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108834391 528150577 /nfs/dbraw/zinc/15/05/77/528150577.db2.gz CVXCMYIPBLHOKW-KRWDZBQOSA-N 1 0 315.417 2.439 10 30 DEEERO CC[NH+]=C(NCC1CCCC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262422354 528803415 /nfs/dbraw/zinc/80/34/15/528803415.db2.gz BOFRIFAAXRDTLQ-OAHLLOKOSA-N 1 0 303.454 2.365 10 30 DEEERO CC[NH+]=C(NCC1(O)CCC1)N[C@@H](C)c1ccc(F)cc1F ZINC000262800391 528804124 /nfs/dbraw/zinc/80/41/24/528804124.db2.gz QXYADCMKNQWJJR-NSHDSACASA-N 1 0 311.376 2.496 10 30 DEEERO C=CCOCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000394128413 625381003 /nfs/dbraw/zinc/38/10/03/625381003.db2.gz SSPNERAWORZBFN-UHFFFAOYSA-N 1 0 314.179 2.470 10 30 DEEERO C#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000743193617 638124066 /nfs/dbraw/zinc/12/40/66/638124066.db2.gz BNMDQACALDBDAD-CYBMUJFWSA-N 1 0 319.380 2.301 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CSCCS3)n2c1 ZINC000151133163 646273879 /nfs/dbraw/zinc/27/38/79/646273879.db2.gz UEVYJJNSFOUZFW-CYBMUJFWSA-N 1 0 304.444 2.144 10 30 DEEERO C=C(Br)CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174376714 646805925 /nfs/dbraw/zinc/80/59/25/646805925.db2.gz WOUNZFMEHXGPHW-GHMZBOCLSA-N 1 0 304.232 2.019 10 30 DEEERO CC[NH+]=C(NC[C@]1(O)CCSC1)NC1CCC(C)(C)CC1 ZINC000151699505 647000801 /nfs/dbraw/zinc/00/08/01/647000801.db2.gz SRIBIANUPWJDLN-MRXNPFEDSA-N 1 0 313.511 2.378 10 30 DEEERO C=C(C)CNC(=[NH2+])NCc1cccc(COC2CCOCC2)c1 ZINC000304745997 685258886 /nfs/dbraw/zinc/25/88/86/685258886.db2.gz FMDMTVOVHKHXDA-UHFFFAOYSA-N 1 0 317.433 2.363 10 30 DEEERO C[C@@](O)(CNC(=[NH2+])NCCc1cccs1)c1ccsc1 ZINC000304797649 685262022 /nfs/dbraw/zinc/26/20/22/685262022.db2.gz NJMASPCSKTWWJW-CQSZACIVSA-N 1 0 309.460 2.164 10 30 DEEERO C#CCCOc1ccc(CN2CC[N@@H+](CCOC)[C@H](C)C2)cc1 ZINC000120824865 684101372 /nfs/dbraw/zinc/10/13/72/684101372.db2.gz YYESBMNHHNBDFX-QGZVFWFLSA-N 1 0 316.445 2.241 10 30 DEEERO Cc1cc(C#N)ccc1C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000129851347 684183042 /nfs/dbraw/zinc/18/30/42/684183042.db2.gz XNDWETWMZMDQCI-INIZCTEOSA-N 1 0 316.401 2.380 10 30 DEEERO C#CCCOc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000159616817 684317899 /nfs/dbraw/zinc/31/78/99/684317899.db2.gz OPUZAWNYVXOMDT-HOCLYGCPSA-N 1 0 300.402 2.175 10 30 DEEERO C=C(Br)C[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000161440813 684329287 /nfs/dbraw/zinc/32/92/87/684329287.db2.gz ILRHLLVESZMSOD-GFCCVEGCSA-N 1 0 300.196 2.233 10 30 DEEERO C#CCC(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190659213 684410312 /nfs/dbraw/zinc/41/03/12/684410312.db2.gz GZTUPKBFOWFUTH-QGZVFWFLSA-N 1 0 313.445 2.411 10 30 DEEERO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N+]12CCN(CC1)CC2 ZINC000022308214 717113619 /nfs/dbraw/zinc/11/36/19/717113619.db2.gz HVDNNOYCWXBHOF-OAHLLOKOSA-O 1 0 316.469 2.457 10 30 DEEERO C[C@@H]1CN(c2ncc(Br)cc2C#N)C[C@H]1CC[NH3+] ZINC000723922036 777205564 /nfs/dbraw/zinc/20/55/64/777205564.db2.gz KMGNTRDVWICNPZ-NXEZZACHSA-N 1 0 309.211 2.137 10 30 DEEERO C#CC[NH+]1CCC(NC(=O)c2cccc(Br)c2)CC1 ZINC000586047133 791866748 /nfs/dbraw/zinc/86/67/48/791866748.db2.gz RBCQWAUQZRAYID-UHFFFAOYSA-N 1 0 321.218 2.277 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000716828698 793008053 /nfs/dbraw/zinc/00/80/53/793008053.db2.gz MOJPJBPVNDSITJ-RRFJBIMHSA-N 1 0 310.438 2.260 10 30 DEEERO C#CC[C@H]([NH3+])C(=O)N[C@H](CC)c1ccc(Br)cc1 ZINC000162185513 197551183 /nfs/dbraw/zinc/55/11/83/197551183.db2.gz ISIAXASKXWIWID-QWHCGFSZSA-N 1 0 309.207 2.367 10 30 DEEERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000090540947 185301878 /nfs/dbraw/zinc/30/18/78/185301878.db2.gz PQKUVSKXJDGSTB-OCCSQVGLSA-N 1 0 307.781 2.165 10 30 DEEERO CN(CC1CC[NH+](C)CC1)C(=O)NCC1CCC(C#N)CC1 ZINC000441046991 529865470 /nfs/dbraw/zinc/86/54/70/529865470.db2.gz FFWYWBBOKWSWKJ-UHFFFAOYSA-N 1 0 306.454 2.300 10 30 DEEERO C=CC[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000614065915 362274138 /nfs/dbraw/zinc/27/41/38/362274138.db2.gz XVPGGPBYUABWPT-IEBWSBKVSA-N 1 0 316.445 2.261 10 30 DEEERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000286719829 219127917 /nfs/dbraw/zinc/12/79/17/219127917.db2.gz CIEVPZWGENPPCB-NOZJJQNGSA-N 1 0 322.206 2.077 10 30 DEEERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCCSCC#N)C1 ZINC000195271775 530006729 /nfs/dbraw/zinc/00/67/29/530006729.db2.gz VSQVOUSDFFANFR-QGZVFWFLSA-N 1 0 318.490 2.482 10 30 DEEERO C#CCN[C@H](C[NH3+])c1cc(Br)c(Br)o1 ZINC000083758728 192381662 /nfs/dbraw/zinc/38/16/62/192381662.db2.gz JEUHXYDSDBXXPG-SSDOTTSWSA-N 1 0 322.000 2.027 10 30 DEEERO Cc1cc(C(=O)N2CCS[C@@H](C)[C@H]2C)sc1C#CC[NH3+] ZINC000133663533 186004581 /nfs/dbraw/zinc/00/45/81/186004581.db2.gz VWUIKBFTRQSLSP-NEPJUHHUSA-N 1 0 308.472 2.333 10 30 DEEERO Cc1ccc(C(=O)N2CCS[C@H](C)[C@H]2C)cc1C#CC[NH3+] ZINC000133672462 186005178 /nfs/dbraw/zinc/00/51/78/186005178.db2.gz YGKXKXZIZLMPLV-ZIAGYGMSSA-N 1 0 302.443 2.271 10 30 DEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000133667332 186005483 /nfs/dbraw/zinc/00/54/83/186005483.db2.gz UVNIVIZVSQDQCO-KBPBESRZSA-N 1 0 302.443 2.271 10 30 DEEERO C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc(C#N)cc1 ZINC000072004521 191032907 /nfs/dbraw/zinc/03/29/07/191032907.db2.gz JLXKVYYSIOGGLQ-UHFFFAOYSA-N 1 0 323.396 2.429 10 30 DEEERO C=CCCCN(C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000139324091 186021376 /nfs/dbraw/zinc/02/13/76/186021376.db2.gz DUFKXTSEUWKOFW-UHFFFAOYSA-N 1 0 318.389 2.271 10 30 DEEERO Cc1cccc(C(=O)NCc2sccc2C#CC[NH3+])c1O ZINC000148658210 186045472 /nfs/dbraw/zinc/04/54/72/186045472.db2.gz ZISCGKJYXHFCKJ-UHFFFAOYSA-N 1 0 300.383 2.002 10 30 DEEERO C=CCC1([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CCCCC1 ZINC000625934585 365961918 /nfs/dbraw/zinc/96/19/18/365961918.db2.gz SRRDJICCAOLNDO-CQSZACIVSA-N 1 0 300.468 2.137 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171441843 186160833 /nfs/dbraw/zinc/16/08/33/186160833.db2.gz OJZQNHRULVAEBA-GOEBONIOSA-N 1 0 313.401 2.022 10 30 DEEERO C=CCC[C@H](C[N@@H+]1CCCOCC1)Oc1ncc(CC)cn1 ZINC000072423786 191157896 /nfs/dbraw/zinc/15/78/96/191157896.db2.gz ZVUPCKBARDCTDM-MRXNPFEDSA-N 1 0 305.422 2.475 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C#N)cc1 ZINC000173794368 198252822 /nfs/dbraw/zinc/25/28/22/198252822.db2.gz UEJWCGQZSJDVDQ-IAGOWNOFSA-N 1 0 312.417 2.326 10 30 DEEERO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000173905178 198266812 /nfs/dbraw/zinc/26/68/12/198266812.db2.gz GUNBUBCEOQVLHD-ZDUSSCGKSA-N 1 0 305.353 2.006 10 30 DEEERO C=CCNC(=O)CN1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC000057861119 354582654 /nfs/dbraw/zinc/58/26/54/354582654.db2.gz LHTIXOYJNKJEJO-KRWDZBQOSA-N 1 0 301.434 2.058 10 30 DEEERO C=CCOCCCC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000080307271 192023521 /nfs/dbraw/zinc/02/35/21/192023521.db2.gz YKMJGILEQDJBQX-UHFFFAOYSA-N 1 0 308.397 2.486 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000081665818 192309347 /nfs/dbraw/zinc/30/93/47/192309347.db2.gz GISBDYUPGCMFTG-MRXNPFEDSA-N 1 0 302.422 2.137 10 30 DEEERO C=CCOCCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000618520555 363515009 /nfs/dbraw/zinc/51/50/09/363515009.db2.gz GKGVSZQSVSIKCX-KRWDZBQOSA-N 1 0 302.418 2.360 10 30 DEEERO N#Cc1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)ccn1 ZINC000588003206 357387416 /nfs/dbraw/zinc/38/74/16/357387416.db2.gz YURQYWFMLDJZFW-KRWDZBQOSA-N 1 0 300.406 2.034 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592168351 357844603 /nfs/dbraw/zinc/84/46/03/357844603.db2.gz KOHVDKKHQVAYDA-YJNKXOJESA-N 1 0 314.495 2.298 10 30 DEEERO C=CCc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1O ZINC000179547138 199053599 /nfs/dbraw/zinc/05/35/99/199053599.db2.gz MPJNITRPVFEFMP-MRXNPFEDSA-N 1 0 302.418 2.409 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000185240060 199829779 /nfs/dbraw/zinc/82/97/79/199829779.db2.gz RUTGBSLRSATNEH-KGLIPLIRSA-N 1 0 323.462 2.121 10 30 DEEERO C=CCSCCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595233795 358404145 /nfs/dbraw/zinc/40/41/45/358404145.db2.gz BOGBFORGJWTUIK-HNNXBMFYSA-N 1 0 321.446 2.388 10 30 DEEERO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595919386 358581368 /nfs/dbraw/zinc/58/13/68/358581368.db2.gz LRUWVIAWISCPOR-RYUDHWBXSA-N 1 0 310.419 2.046 10 30 DEEERO C=CC[C@]1(C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C)CCC[NH2+]1 ZINC000595935797 358583238 /nfs/dbraw/zinc/58/32/38/358583238.db2.gz VMOBTGQFDSDVBA-WMLDXEAASA-N 1 0 310.438 2.167 10 30 DEEERO C=CCOCC[N@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595912676 358578888 /nfs/dbraw/zinc/57/88/88/358578888.db2.gz OWZBISMDFBGWOV-LBPRGKRZSA-N 1 0 310.419 2.312 10 30 DEEERO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627207349 366479031 /nfs/dbraw/zinc/47/90/31/366479031.db2.gz ORBFEWZIGQKFPN-KBPBESRZSA-N 1 0 321.421 2.000 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)OC)C1 ZINC000599526035 359516646 /nfs/dbraw/zinc/51/66/46/359516646.db2.gz CFMFBPKFNVSIFM-CYBMUJFWSA-N 1 0 302.374 2.310 10 30 DEEERO C=C(C)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)OC ZINC000601781943 360146783 /nfs/dbraw/zinc/14/67/83/360146783.db2.gz MNXJTYZIGZNMIS-ZBFHGGJFSA-N 1 0 322.449 2.265 10 30 DEEERO C=CC[C@]1(C(=O)NCC(CC)(CC)C(=O)OCC)CCC[NH2+]1 ZINC000602591689 360447638 /nfs/dbraw/zinc/44/76/38/360447638.db2.gz YEMPQOMUYHROIC-QGZVFWFLSA-N 1 0 310.438 2.170 10 30 DEEERO C[C@H](CNC(=O)NCC1CCC(C#N)CC1)C[NH+]1CCCC1 ZINC000441002638 238001101 /nfs/dbraw/zinc/00/11/01/238001101.db2.gz LBEFQTOUXVMGPE-QQFBHYJXSA-N 1 0 306.454 2.347 10 30 DEEERO N#Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000609252865 361291570 /nfs/dbraw/zinc/29/15/70/361291570.db2.gz IKZOLKWPLKHDLZ-CABCVRRESA-N 1 0 316.380 2.123 10 30 DEEERO C[NH+](C)[C@@H](CNC(=O)c1ccnc(C#N)c1)c1cccs1 ZINC000195022350 201328943 /nfs/dbraw/zinc/32/89/43/201328943.db2.gz SIQRPTPHUUZALW-ZDUSSCGKSA-N 1 0 300.387 2.047 10 30 DEEERO N#CC1CCC(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000619658502 363849632 /nfs/dbraw/zinc/84/96/32/363849632.db2.gz AWYPRWXRBWTOFL-ZBCRRDGASA-N 1 0 304.438 2.100 10 30 DEEERO C=C(C)[C@@H](CO)[NH+]1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000623128231 364892880 /nfs/dbraw/zinc/89/28/80/364892880.db2.gz RJMITRSUJAVYDE-OAHLLOKOSA-N 1 0 306.406 2.028 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(C[C@H](c2cccs2)[NH+](C)C)C1=O ZINC000630962677 367938141 /nfs/dbraw/zinc/93/81/41/367938141.db2.gz FNMRVPPXBXAFOV-VXGBXAGGSA-N 1 0 307.419 2.237 10 30 DEEERO C[C@H](Cc1ccsc1)NC(=O)c1csc(C#CC[NH3+])c1 ZINC000093976039 193332995 /nfs/dbraw/zinc/33/29/95/193332995.db2.gz LDLUEMYWMYHEOO-LLVKDONJSA-N 1 0 304.440 2.481 10 30 DEEERO Cc1cc(C(=O)N(C)C[C@@H]2CCCCO2)sc1C#CC[NH3+] ZINC000094536398 193377872 /nfs/dbraw/zinc/37/78/72/193377872.db2.gz QNCRASFXSIIJJT-ZDUSSCGKSA-N 1 0 306.431 2.008 10 30 DEEERO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000266440861 205348233 /nfs/dbraw/zinc/34/82/33/205348233.db2.gz XNDITBNTJBSGOD-ZDUSSCGKSA-N 1 0 305.353 2.053 10 30 DEEERO CC[C@@H]1CN(CC#Cc2cccc(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000159916249 197373655 /nfs/dbraw/zinc/37/36/55/197373655.db2.gz IKQYGYWOTUZNQE-CRAIPNDOSA-N 1 0 320.864 2.469 10 30 DEEERO CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000042448366 183271779 /nfs/dbraw/zinc/27/17/79/183271779.db2.gz JMLWNKJDEJHLMO-CHWSQXEVSA-N 1 0 309.435 2.137 10 30 DEEERO C#CCNC(=O)[C@H](C)Oc1ccc(C[C@@H]([NH3+])CC)cc1Cl ZINC000043492410 183366768 /nfs/dbraw/zinc/36/67/68/183366768.db2.gz FRNBSNWNHVJVJS-AAEUAGOBSA-N 1 0 308.809 2.137 10 30 DEEERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(C#N)cc1F ZINC000105721187 194122022 /nfs/dbraw/zinc/12/20/22/194122022.db2.gz PQVKFNYPHKTIJU-LBPRGKRZSA-N 1 0 306.385 2.227 10 30 DEEERO C=C(C)CN(C)S(=O)(=O)c1cc(C[NH2+]C)ccc1Cl ZINC000159355807 197347395 /nfs/dbraw/zinc/34/73/95/197347395.db2.gz KCFOJXKTTNVNEF-UHFFFAOYSA-N 1 0 302.827 2.256 10 30 DEEERO C=CCOc1ccc(C[NH2+]CC(C)(C)N2CCOCC2)cc1 ZINC000060818280 184156423 /nfs/dbraw/zinc/15/64/23/184156423.db2.gz LGAKPNHEGFFGQG-UHFFFAOYSA-N 1 0 304.434 2.452 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)nc1 ZINC000061871992 184190304 /nfs/dbraw/zinc/19/03/04/184190304.db2.gz HPMAWAHKEGUNQS-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO C=C(C)COc1ccc(NC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000066214109 184396874 /nfs/dbraw/zinc/39/68/74/184396874.db2.gz BRAGZLLZKUKUGT-MRXNPFEDSA-N 1 0 304.390 2.349 10 30 DEEERO C#CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000270197384 208262844 /nfs/dbraw/zinc/26/28/44/208262844.db2.gz DNNXAPGTVGAUSD-ZWKOTPCHSA-N 1 0 309.413 2.407 10 30 DEEERO CC[C@H]1CN(C(=O)c2cccc(C#CC[NH3+])c2C)CCS1 ZINC000157979700 197232099 /nfs/dbraw/zinc/23/20/99/197232099.db2.gz NWQQEFRPJVOEGB-HNNXBMFYSA-N 1 0 302.443 2.273 10 30 DEEERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000157559501 197197691 /nfs/dbraw/zinc/19/76/91/197197691.db2.gz COUPSYKMNWYNOQ-JSGCOSHPSA-N 1 0 319.453 2.358 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NC[C@@H]2CCCCS2)cc1F ZINC000156566438 197124106 /nfs/dbraw/zinc/12/41/06/197124106.db2.gz ZVJHUTRZZPAMQA-AWEZNQCLSA-N 1 0 306.406 2.151 10 30 DEEERO C=C[C@@H](CC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000155312104 197042462 /nfs/dbraw/zinc/04/24/62/197042462.db2.gz NCVOBHLAPWUUMV-INIZCTEOSA-N 1 0 316.445 2.261 10 30 DEEERO C=CCC[C@H](C[NH+]1CCSCC1)Oc1cncc(N(C)C)n1 ZINC000072432760 256546284 /nfs/dbraw/zinc/54/62/84/256546284.db2.gz HWYYUKBMEABGRN-CQSZACIVSA-N 1 0 322.478 2.305 10 30 DEEERO CC[C@@H](CSC)N(C)C(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000124526781 195651551 /nfs/dbraw/zinc/65/15/51/195651551.db2.gz HZKLOYCQHYNMDB-AWEZNQCLSA-N 1 0 308.422 2.350 10 30 DEEERO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1F ZINC000192047704 145070450 /nfs/dbraw/zinc/07/04/50/145070450.db2.gz ONFPDMJYDQGOLV-KRWDZBQOSA-N 1 0 317.408 2.384 10 30 DEEERO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(C#N)cc1F ZINC000358565539 147157851 /nfs/dbraw/zinc/15/78/51/147157851.db2.gz ZXRBLEVYDPYFNY-LLVKDONJSA-N 1 0 301.321 2.371 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000076736566 401799300 /nfs/dbraw/zinc/79/93/00/401799300.db2.gz BLIWCORQZOYBGY-UHFFFAOYSA-N 1 0 312.417 2.387 10 30 DEEERO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(C#N)cn2C)c1 ZINC000081710277 401898302 /nfs/dbraw/zinc/89/83/02/401898302.db2.gz NRLGOULOFABDDU-UHFFFAOYSA-N 1 0 310.401 2.278 10 30 DEEERO C[C@@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)O1 ZINC000151036858 402012309 /nfs/dbraw/zinc/01/23/09/402012309.db2.gz MQWPPTDOVGIOOV-RHSMWYFYSA-N 1 0 315.417 2.016 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2OCC#N)[C@H](C)C1 ZINC000122458019 402079224 /nfs/dbraw/zinc/07/92/24/402079224.db2.gz FTDCPAQADDXIMN-GDBMZVCRSA-N 1 0 315.417 2.391 10 30 DEEERO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000063619302 402114323 /nfs/dbraw/zinc/11/43/23/402114323.db2.gz JSJYILOWHYUEQL-INIZCTEOSA-N 1 0 315.417 2.452 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)n2c1 ZINC000123380154 402125141 /nfs/dbraw/zinc/12/51/41/402125141.db2.gz NMRSAJJCXHWXCE-UHFFFAOYSA-N 1 0 307.313 2.404 10 30 DEEERO C[C@@H]1C[C@@H](N(C)C(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1C ZINC000153038711 402123318 /nfs/dbraw/zinc/12/33/18/402123318.db2.gz BTYBPHLCJGNMRW-PWSUYJOCSA-N 1 0 307.344 2.391 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSc2ccc(C#N)cc2)C1 ZINC000155579145 402261760 /nfs/dbraw/zinc/26/17/60/402261760.db2.gz YIUMOACQUBHIBY-CJNGLKHVSA-N 1 0 317.458 2.495 10 30 DEEERO CCCCN(CCOC)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156736540 402287870 /nfs/dbraw/zinc/28/78/70/402287870.db2.gz RVIDNCQJWALUSE-UHFFFAOYSA-N 1 0 324.446 2.080 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000185240046 402337933 /nfs/dbraw/zinc/33/79/33/402337933.db2.gz RUTGBSLRSATNEH-KBPBESRZSA-N 1 0 323.462 2.121 10 30 DEEERO Cc1cc(C#N)ccc1C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000186213853 402411393 /nfs/dbraw/zinc/41/13/93/402411393.db2.gz SUHAIIUMNMFWGU-UHFFFAOYSA-N 1 0 323.444 2.308 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cc(C#N)ccc1F ZINC000177553992 402415658 /nfs/dbraw/zinc/41/56/58/402415658.db2.gz XRPUBQRVLRJOAL-OAHLLOKOSA-N 1 0 318.396 2.323 10 30 DEEERO C[C@@]1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCS1 ZINC000163112106 402441896 /nfs/dbraw/zinc/44/18/96/402441896.db2.gz KFOYFGTUWQODML-HNNXBMFYSA-N 1 0 324.471 2.207 10 30 DEEERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCCCC#N ZINC000171429928 402586971 /nfs/dbraw/zinc/58/69/71/402586971.db2.gz OUPHOKRWGKAVAC-INIZCTEOSA-N 1 0 302.422 2.152 10 30 DEEERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000190425155 402599782 /nfs/dbraw/zinc/59/97/82/402599782.db2.gz ORNMKVRWXSKADT-GJZGRUSLSA-N 1 0 300.362 2.378 10 30 DEEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ncccc2C#N)C1 ZINC000190446633 402601769 /nfs/dbraw/zinc/60/17/69/402601769.db2.gz MQDVTSICTNFIIA-INIZCTEOSA-N 1 0 307.401 2.307 10 30 DEEERO Cc1nc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)ccc1C#N ZINC000171752085 402618649 /nfs/dbraw/zinc/61/86/49/402618649.db2.gz QKWXMHJJUTYYJL-INIZCTEOSA-N 1 0 320.396 2.395 10 30 DEEERO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000181558099 402649633 /nfs/dbraw/zinc/64/96/33/402649633.db2.gz XDRKFZNAFRRJLG-WBVHZDCISA-N 1 0 315.417 2.211 10 30 DEEERO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347868 402651524 /nfs/dbraw/zinc/65/15/24/402651524.db2.gz HJTBSYHMZHPSIR-AWEZNQCLSA-N 1 0 312.417 2.055 10 30 DEEERO Cn1cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1C#N ZINC000191620369 402682309 /nfs/dbraw/zinc/68/23/09/402682309.db2.gz MDXAFCBQRZZNES-OCCSQVGLSA-N 1 0 315.339 2.470 10 30 DEEERO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccnc(C#N)c2)CC1 ZINC000193249714 402768874 /nfs/dbraw/zinc/76/88/74/402768874.db2.gz NPVGIBBSCQXLMM-UHFFFAOYSA-N 1 0 324.384 2.283 10 30 DEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1cc(C#N)ccc1F ZINC000173997672 402722809 /nfs/dbraw/zinc/72/28/09/402722809.db2.gz UQTJPKIUVNRKBK-OAHLLOKOSA-N 1 0 320.412 2.473 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000278342742 402863186 /nfs/dbraw/zinc/86/31/86/402863186.db2.gz KEHCXEAMIPHAND-VQIMIIECSA-N 1 0 308.425 2.286 10 30 DEEERO C=CCOCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000294031594 403629453 /nfs/dbraw/zinc/62/94/53/403629453.db2.gz ICFJKQDUFKKPPX-ZBFHGGJFSA-N 1 0 308.809 2.404 10 30 DEEERO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000361724900 403825142 /nfs/dbraw/zinc/82/51/42/403825142.db2.gz DLYFLAHPXMNJQU-LSDHHAIUSA-N 1 0 317.433 2.263 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CO)c2ccsc2)CC1 ZINC000351753276 403898369 /nfs/dbraw/zinc/89/83/69/403898369.db2.gz CBQZYFPLPIJRAK-HNNXBMFYSA-N 1 0 323.462 2.121 10 30 DEEERO C#Cc1ccc(CNC(=O)c2cc(CN3CCCC3)on2)cc1 ZINC000295366106 403884634 /nfs/dbraw/zinc/88/46/34/403884634.db2.gz GCFSFOQPWIVGKL-UHFFFAOYSA-N 1 0 309.369 2.182 10 30 DEEERO C=CCCC[C@H](C)[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411688901 403939927 /nfs/dbraw/zinc/93/99/27/403939927.db2.gz DJLZHUARPOJJHB-AWEZNQCLSA-N 1 0 300.468 2.231 10 30 DEEERO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)on1 ZINC000328631675 404119999 /nfs/dbraw/zinc/11/99/99/404119999.db2.gz RGVQLZVAGIEVIP-WFASDCNBSA-N 1 0 316.361 2.076 10 30 DEEERO Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)CCC2 ZINC000328700896 404135493 /nfs/dbraw/zinc/13/54/93/404135493.db2.gz IWSZMYXAYSDJFR-LSDHHAIUSA-N 1 0 319.453 2.009 10 30 DEEERO Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000329260054 404281592 /nfs/dbraw/zinc/28/15/92/404281592.db2.gz CSFYWXAFCONIEZ-UGFHNGPFSA-N 1 0 320.437 2.335 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1 ZINC000351029573 404504675 /nfs/dbraw/zinc/50/46/75/404504675.db2.gz XOCDSXAFFUPHQN-KRWDZBQOSA-N 1 0 300.402 2.494 10 30 DEEERO CC[C@@H](CO)[NH+]1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000291813196 404534400 /nfs/dbraw/zinc/53/44/00/404534400.db2.gz FMONUSPRJFFRQJ-INIZCTEOSA-N 1 0 324.428 2.308 10 30 DEEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000374071388 404685147 /nfs/dbraw/zinc/68/51/47/404685147.db2.gz ZAKWGPOHRSUBAR-RNJTYBCJSA-N 1 0 300.402 2.481 10 30 DEEERO C=C(C)Cn1c(CC2CC2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000359248343 404787856 /nfs/dbraw/zinc/78/78/56/404787856.db2.gz BNUAAPPBFYCBCA-HOCLYGCPSA-N 1 0 315.465 2.480 10 30 DEEERO C#Cc1ccc(C[N@H+]2C[C@@H](OC)C[C@H]2CC(=O)OCC)cc1 ZINC000367297874 405001775 /nfs/dbraw/zinc/00/17/75/405001775.db2.gz AKDLACZAKJGLQV-IRXDYDNUSA-N 1 0 301.386 2.210 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000424176280 405031262 /nfs/dbraw/zinc/03/12/62/405031262.db2.gz RFJNDKAIBWDJLQ-WFASDCNBSA-N 1 0 321.446 2.339 10 30 DEEERO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000408041537 405097418 /nfs/dbraw/zinc/09/74/18/405097418.db2.gz CVLGZLAUFOPZNE-KURKYZTESA-N 1 0 318.392 2.449 10 30 DEEERO N#Cc1c(Br)cccc1NC[C@H]1C[NH2+]CCCO1 ZINC000390095393 405043292 /nfs/dbraw/zinc/04/32/92/405043292.db2.gz WWAGAZFLLQVBJR-SNVBAGLBSA-N 1 0 310.195 2.111 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000424934257 405215202 /nfs/dbraw/zinc/21/52/02/405215202.db2.gz UHORFQBUNWBTBT-KSZLIROESA-N 1 0 314.429 2.358 10 30 DEEERO C=CCOCC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425075453 405244872 /nfs/dbraw/zinc/24/48/72/405244872.db2.gz DJLLDZPCWRYGBX-UHFFFAOYSA-N 1 0 309.435 2.441 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000438451081 405247299 /nfs/dbraw/zinc/24/72/99/405247299.db2.gz GTUUTOPDCHNGOX-NCOADZHNSA-N 1 0 323.481 2.339 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000448604417 405426238 /nfs/dbraw/zinc/42/62/38/405426238.db2.gz HZAKBGGFAXRIIU-GOSISDBHSA-N 1 0 322.412 2.464 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446719098 405389908 /nfs/dbraw/zinc/38/99/08/405389908.db2.gz LVGAEKBYWONMPS-RDTXWAMCSA-N 1 0 315.417 2.050 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC23CCSCC3)CC1 ZINC000420904975 405402351 /nfs/dbraw/zinc/40/23/51/405402351.db2.gz BWUYAIRDSQYGPZ-AWEZNQCLSA-N 1 0 323.506 2.469 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000448585278 405423175 /nfs/dbraw/zinc/42/31/75/405423175.db2.gz LOVVIQUXVNELOE-OAHLLOKOSA-N 1 0 312.373 2.057 10 30 DEEERO C=CC(C)(C)CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000458983659 405676873 /nfs/dbraw/zinc/67/68/73/405676873.db2.gz DZHGACGVYWPOIX-MRXNPFEDSA-N 1 0 322.497 2.010 10 30 DEEERO C=CCC[C@@H]1NC(=O)N(C[C@@H]2CC[N@@H+]2C2CCCCC2)C1=O ZINC000530200529 405775881 /nfs/dbraw/zinc/77/58/81/405775881.db2.gz GMDQXQSDVYUBNP-GJZGRUSLSA-N 1 0 305.422 2.280 10 30 DEEERO Cn1nccc1[C@H](CO)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000459716925 406018438 /nfs/dbraw/zinc/01/84/38/406018438.db2.gz QJVFSCGWLVCKDU-HFCFLWKCSA-N 1 0 324.428 2.447 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000567353065 406095586 /nfs/dbraw/zinc/09/55/86/406095586.db2.gz YRRJUMBLDLAFDX-WQVCFCJDSA-N 1 0 313.825 2.305 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000477656926 406152980 /nfs/dbraw/zinc/15/29/80/406152980.db2.gz DEDDWPCSOPHJQD-UHFFFAOYSA-N 1 0 315.417 2.447 10 30 DEEERO C=CCCCCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000568411167 406218186 /nfs/dbraw/zinc/21/81/86/406218186.db2.gz JIWRUFRAEYIUMK-LJQANCHMSA-N 1 0 316.445 2.486 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)cc1 ZINC000634714285 406241103 /nfs/dbraw/zinc/24/11/03/406241103.db2.gz JCSDMCKNKCLETO-FUHWJXTLSA-N 1 0 305.418 2.253 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000637320817 406257662 /nfs/dbraw/zinc/25/76/62/406257662.db2.gz AEIZPBINJJBOBV-MRXNPFEDSA-N 1 0 322.497 2.010 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000637323978 406258759 /nfs/dbraw/zinc/25/87/59/406258759.db2.gz ODSIGPHAOIYENT-UHFFFAOYSA-N 1 0 309.454 2.095 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCn3nccc32)CC1 ZINC000632987092 406345928 /nfs/dbraw/zinc/34/59/28/406345928.db2.gz XREUHLRJKYNDID-HNNXBMFYSA-N 1 0 317.437 2.058 10 30 DEEERO C=CCOc1cccnc1C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632869038 406300025 /nfs/dbraw/zinc/30/00/25/406300025.db2.gz YKSGKIBEKXUNAA-AWEZNQCLSA-N 1 0 323.396 2.424 10 30 DEEERO C=CC[C@@H]1CCCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638409942 406754579 /nfs/dbraw/zinc/75/45/79/406754579.db2.gz SYABZYNEAXLPNI-SJLPKXTDSA-N 1 0 315.461 2.260 10 30 DEEERO C=CCC1(NC(=O)Cc2cccc3c2CC[NH2+]C3)CCOCC1 ZINC000638414619 406758414 /nfs/dbraw/zinc/75/84/14/406758414.db2.gz RZUQPDZYUSMFEC-UHFFFAOYSA-N 1 0 314.429 2.116 10 30 DEEERO N#Cc1cc(Br)cnc1N1CCC2(CC[NH2+]2)CC1 ZINC000333247269 269950616 /nfs/dbraw/zinc/95/06/16/269950616.db2.gz FYONXQZRJIPPKE-UHFFFAOYSA-N 1 0 307.195 2.048 10 30 DEEERO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccnc(C#N)c2)c1 ZINC000192847011 266103494 /nfs/dbraw/zinc/10/34/94/266103494.db2.gz CORYXEOAEUSTRO-UHFFFAOYSA-N 1 0 308.385 2.335 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn(C(C)C)nn1)C(C)C ZINC000340303219 275425659 /nfs/dbraw/zinc/42/56/59/275425659.db2.gz VIXLEUNOXKOOTE-INIZCTEOSA-N 1 0 319.453 2.287 10 30 DEEERO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)N1CCSc2ccccc21 ZINC000451608484 275751584 /nfs/dbraw/zinc/75/15/84/275751584.db2.gz SJJDEKCFVZUKAS-NFAWXSAZSA-N 1 0 318.442 2.447 10 30 DEEERO C[N@@H+]1CCO[C@H]2CN(c3ccc(C(F)(F)F)cc3C#N)C[C@@H]21 ZINC000153109033 277131384 /nfs/dbraw/zinc/13/13/84/277131384.db2.gz XBJVDAJIPZSIIM-KBPBESRZSA-N 1 0 311.307 2.096 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1COCC1(C)C)C(C)C ZINC000455480817 277848678 /nfs/dbraw/zinc/84/86/78/277848678.db2.gz CCDCJDOBKPLCSY-JKSUJKDBSA-N 1 0 323.481 2.409 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000185501411 337248590 /nfs/dbraw/zinc/24/85/90/337248590.db2.gz JASTWQBRVVQNTA-DLBZAZTESA-N 1 0 307.482 2.217 10 30 DEEERO C=CCn1c(N2CC[NH+](C(C)C)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453431707 534442977 /nfs/dbraw/zinc/44/29/77/534442977.db2.gz APBCWDZYMSTUPI-QGZVFWFLSA-N 1 0 319.453 2.020 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000246863242 519693396 /nfs/dbraw/zinc/69/33/96/519693396.db2.gz FRFDKXIJPBOXOX-QMTHXVAHSA-N 1 0 307.344 2.295 10 30 DEEERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(C#N)n(C)c3)C2)nc(C)n1 ZINC000365163793 525069801 /nfs/dbraw/zinc/06/98/01/525069801.db2.gz QAGCHYZFXPYRAI-MRXNPFEDSA-N 1 0 324.432 2.062 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NC[C@@H]1COC2(CCCCC2)O1 ZINC000263129630 534833880 /nfs/dbraw/zinc/83/38/80/534833880.db2.gz GGTZGCVFANNRCH-CYBMUJFWSA-N 1 0 323.462 2.271 10 30 DEEERO C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000262426691 526346716 /nfs/dbraw/zinc/34/67/16/526346716.db2.gz HXPZVNPCPQZOPM-ZIAGYGMSSA-N 1 0 308.470 2.035 10 30 DEEERO C[NH+]=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)NCC1(O)CCC1 ZINC000262757866 526370178 /nfs/dbraw/zinc/37/01/78/526370178.db2.gz CFSOVSIZKDHWQL-RYUDHWBXSA-N 1 0 321.387 2.435 10 30 DEEERO C[NH+]=C(NCc1ccc(OC)nc1)N(C)Cc1ccc(F)cc1 ZINC000262576214 526382258 /nfs/dbraw/zinc/38/22/58/526382258.db2.gz OMRZURNEIVSQCY-UHFFFAOYSA-N 1 0 316.380 2.437 10 30 DEEERO C[NH+]=C(NCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1C[C@@H]1C ZINC000262528469 526389048 /nfs/dbraw/zinc/38/90/48/526389048.db2.gz PCATWKLMPPKDEX-JOYOIKCWSA-N 1 0 319.796 2.463 10 30 DEEERO C[NH+]=C(NCc1nc(C)c(C)s1)NCc1cccc(OC)n1 ZINC000262389117 526415255 /nfs/dbraw/zinc/41/52/55/526415255.db2.gz LTSBVXQPJBSLDH-UHFFFAOYSA-N 1 0 319.434 2.029 10 30 DEEERO CC(=O)N(C)c1cccc(NC(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000330685269 526478278 /nfs/dbraw/zinc/47/82/78/526478278.db2.gz LCSJBRFNXILGFA-UHFFFAOYSA-N 1 0 316.405 2.257 10 30 DEEERO C=CCN1CC[C@@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1=O ZINC000337193588 526483286 /nfs/dbraw/zinc/48/32/86/526483286.db2.gz VOGKBCFGNSCSPU-LSDHHAIUSA-N 1 0 303.362 2.422 10 30 DEEERO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000262625349 526618978 /nfs/dbraw/zinc/61/89/78/526618978.db2.gz PZAPINDKJPJBNK-NWDGAFQWSA-N 1 0 302.378 2.060 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000376642342 526672796 /nfs/dbraw/zinc/67/27/96/526672796.db2.gz BDPFJRCXLCADQJ-IBGZPJMESA-N 1 0 308.425 2.430 10 30 DEEERO C#CCCNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000369289134 526735035 /nfs/dbraw/zinc/73/50/35/526735035.db2.gz XSKCKGXDRBEEQP-UHFFFAOYSA-N 1 0 303.381 2.113 10 30 DEEERO C=C(C)[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000187783173 526820255 /nfs/dbraw/zinc/82/02/55/526820255.db2.gz SZMBPUCHLJTWDE-GUYCJALGSA-N 1 0 324.371 2.155 10 30 DEEERO C=CCOc1ccc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1 ZINC000418115876 526874035 /nfs/dbraw/zinc/87/40/35/526874035.db2.gz QADXKOAXFXTMLA-HOTGVXAUSA-N 1 0 304.434 2.138 10 30 DEEERO C=C(Cl)CNC(N[C@H]1CCc2cn(C(C)C)nc2C1)=[NH+]C ZINC000261940475 526884697 /nfs/dbraw/zinc/88/46/97/526884697.db2.gz DMFQGLKQWVFFCL-ZDUSSCGKSA-N 1 0 309.845 2.239 10 30 DEEERO C=CCOc1cccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000106380861 526904490 /nfs/dbraw/zinc/90/44/90/526904490.db2.gz PQPQPCHXUCEZGX-SFHVURJKSA-N 1 0 302.418 2.204 10 30 DEEERO C=CCOc1cccnc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341981869 526954245 /nfs/dbraw/zinc/95/42/45/526954245.db2.gz FBPQFBVNBYYBOU-KBPBESRZSA-N 1 0 303.406 2.201 10 30 DEEERO C#CCOc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000368022501 527095358 /nfs/dbraw/zinc/09/53/58/527095358.db2.gz QEKZSKMSBWOLJR-SJLPKXTDSA-N 1 0 312.413 2.303 10 30 DEEERO C#CCOc1ccccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000249443409 527133683 /nfs/dbraw/zinc/13/36/83/527133683.db2.gz MPEXCLGFBNSTDA-CABCVRRESA-N 1 0 313.401 2.399 10 30 DEEERO C=CCCCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000448384138 527217498 /nfs/dbraw/zinc/21/74/98/527217498.db2.gz QCHRBPLCSRRCRF-UHFFFAOYSA-N 1 0 322.497 2.012 10 30 DEEERO C=CCCC[C@@H](C)NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417994883 527264851 /nfs/dbraw/zinc/26/48/51/527264851.db2.gz ZIHYPIZAOUKNGC-KLAILNCOSA-N 1 0 322.497 2.247 10 30 DEEERO C#Cc1ccc(C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)cc1 ZINC000368031467 527438732 /nfs/dbraw/zinc/43/87/32/527438732.db2.gz UDOALRQBENTHBG-SFHVURJKSA-N 1 0 305.381 2.348 10 30 DEEERO C#Cc1ccccc1CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000289472980 527463992 /nfs/dbraw/zinc/46/39/92/527463992.db2.gz DQHSZCKCHVZXLY-HXUWFJFHSA-N 1 0 320.436 2.500 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccnc(C#N)c1)C(C)C ZINC000193250923 527649766 /nfs/dbraw/zinc/64/97/66/527649766.db2.gz PQERIPOBIASOQF-QGZVFWFLSA-N 1 0 312.417 2.382 10 30 DEEERO CC1CC[NH+](CCNC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000440998417 528244447 /nfs/dbraw/zinc/24/44/47/528244447.db2.gz ITEAWWFLNDPXKI-UHFFFAOYSA-N 1 0 306.454 2.347 10 30 DEEERO CC[NH+]=C(NC1CC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261715270 528802396 /nfs/dbraw/zinc/80/23/96/528802396.db2.gz HSQAECUVYKWBPO-GFCCVEGCSA-N 1 0 307.829 2.031 10 30 DEEERO CC[NH+]=C(NCC1(O)CCC1)N[C@H](C)c1ccc(F)cc1F ZINC000262800389 528803196 /nfs/dbraw/zinc/80/31/96/528803196.db2.gz QXYADCMKNQWJJR-LLVKDONJSA-N 1 0 311.376 2.496 10 30 DEEERO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000246815632 535754959 /nfs/dbraw/zinc/75/49/59/535754959.db2.gz BUBOQIJZWNWZEA-LSDHHAIUSA-N 1 0 315.417 2.126 10 30 DEEERO C[C@]1(CNC(=[NH2+])NC[C@H]2CCCO2)CCCc2ccccc21 ZINC000091517448 625088799 /nfs/dbraw/zinc/08/87/99/625088799.db2.gz SHPIFNDGFQYDJY-CRAIPNDOSA-N 1 0 301.434 2.364 10 30 DEEERO C=C(Br)CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000246144422 625193087 /nfs/dbraw/zinc/19/30/87/625193087.db2.gz JRYYNPAZBVBIBJ-NEPJUHHUSA-N 1 0 316.243 2.163 10 30 DEEERO [NH2+]=C(NC[C@H](c1ccccc1)C(F)(F)F)NC[C@@H]1CCCO1 ZINC000185947971 632946420 /nfs/dbraw/zinc/94/64/20/632946420.db2.gz CBWGBEJTWVUXON-QWHCGFSZSA-N 1 0 315.339 2.416 10 30 DEEERO C[C@@H]1C[N@H+](Cc2ccccc2)CCC1=NNC(=S)N(C)C ZINC000734365410 633364239 /nfs/dbraw/zinc/36/42/39/633364239.db2.gz ZNMKUDUBPWFVJM-CYBMUJFWSA-N 1 0 304.463 2.321 10 30 DEEERO CC(C)[C@H](C(=O)OCC1(C#N)CCOCC1)[NH+]1CCCCC1 ZINC000126335106 636554206 /nfs/dbraw/zinc/55/42/06/636554206.db2.gz BHCJLDPTHQJPKA-OAHLLOKOSA-N 1 0 308.422 2.360 10 30 DEEERO COc1ccc(CNC(=[NH2+])NC[C@@H]2CCC(C)(C)O2)cc1OC ZINC000186887326 636586587 /nfs/dbraw/zinc/58/65/87/636586587.db2.gz CGMNXPZCOTVPOG-ZDUSSCGKSA-N 1 0 321.421 2.066 10 30 DEEERO COC(=O)/C(C)=C\C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000746500533 638350603 /nfs/dbraw/zinc/35/06/03/638350603.db2.gz DNMBZVIDIZQKQE-NVNXTCNLSA-N 1 0 313.401 2.190 10 30 DEEERO COc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1C#N ZINC000746740532 638374194 /nfs/dbraw/zinc/37/41/94/638374194.db2.gz FQKZMOJMKVQWBP-UHFFFAOYSA-N 1 0 312.325 2.291 10 30 DEEERO C#CCOc1ccc(Br)cc1C[NH2+][C@@H](CO)CC=C ZINC000320834602 639670041 /nfs/dbraw/zinc/67/00/41/639670041.db2.gz AUMKELUNZVUUQX-CQSZACIVSA-N 1 0 324.218 2.488 10 30 DEEERO C[NH+]=C(NCc1ccnn1C)NCc1nc(C(C)(C)C)cs1 ZINC000086609425 641261460 /nfs/dbraw/zinc/26/14/60/641261460.db2.gz OHVMNTVPJWYZKZ-UHFFFAOYSA-N 1 0 320.466 2.039 10 30 DEEERO C#CCC(CC#C)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000806866522 645880597 /nfs/dbraw/zinc/88/05/97/645880597.db2.gz CFHSQIUPKQSDMG-UHFFFAOYSA-N 1 0 300.446 2.372 10 30 DEEERO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000807169062 645918261 /nfs/dbraw/zinc/91/82/61/645918261.db2.gz FNDXXMXHLUUAKP-ZWKOTPCHSA-N 1 0 305.381 2.238 10 30 DEEERO C#CCOCCC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000166545796 646526132 /nfs/dbraw/zinc/52/61/32/646526132.db2.gz XRIKHTPRJMIKRX-SFHVURJKSA-N 1 0 315.413 2.482 10 30 DEEERO C#CCCOc1ccc(C[N@H+]2CCC[C@H](NC(C)=O)C2)cc1 ZINC000153891915 647848026 /nfs/dbraw/zinc/84/80/26/647848026.db2.gz YOIMSRGVCUEDBT-KRWDZBQOSA-N 1 0 300.402 2.189 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CSc1ccncc1 ZINC000121390050 649412713 /nfs/dbraw/zinc/41/27/13/649412713.db2.gz YNLOSMWIASTRQP-CQSZACIVSA-N 1 0 306.431 2.451 10 30 DEEERO CSC1(CNC(=[NH2+])NCCc2cccs2)CCOCC1 ZINC000304812575 685262281 /nfs/dbraw/zinc/26/22/81/685262281.db2.gz YFXJQIYPVGVBGJ-UHFFFAOYSA-N 1 0 313.492 2.107 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cn2ccnc2s1 ZINC000190831982 684415087 /nfs/dbraw/zinc/41/50/87/684415087.db2.gz KGVXBKJIRADWDU-LBPRGKRZSA-N 1 0 305.403 2.286 10 30 DEEERO CC(C)Oc1ccc(NC(=[NH2+])NCCCN2CCCC2=O)cc1 ZINC000303708767 685233650 /nfs/dbraw/zinc/23/36/50/685233650.db2.gz NHUBOXQQKOSAQH-UHFFFAOYSA-N 1 0 318.421 2.213 10 30 DEEERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CO1 ZINC000703346831 1086494139 /nfs/dbraw/zinc/49/41/39/1086494139.db2.gz RPWUEVNWGFXPIF-CQSZACIVSA-N 1 0 303.362 2.199 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1c(F)cc(Br)cc1F ZINC000092476225 185321036 /nfs/dbraw/zinc/32/10/36/185321036.db2.gz ZITBDIZQLQEMPM-UHFFFAOYSA-N 1 0 305.122 2.441 10 30 DEEERO CCc1nc(CNC(=[NH+]C)N(C)Cc2cccn2C)cs1 ZINC000261939210 529735529 /nfs/dbraw/zinc/73/55/29/529735529.db2.gz DESCQTQDCYIDMY-UHFFFAOYSA-N 1 0 305.451 2.251 10 30 DEEERO CN(CCC#N)C(=O)CC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190984414 529866708 /nfs/dbraw/zinc/86/67/08/529866708.db2.gz NZIRBXABTBEUMY-UHFFFAOYSA-N 1 0 307.438 2.172 10 30 DEEERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC3CCC(C#N)CC3)CC[C@H]21 ZINC000369116042 530058342 /nfs/dbraw/zinc/05/83/42/530058342.db2.gz KTCCJVTZWAAFJV-BHUNQDJPSA-N 1 0 318.465 2.442 10 30 DEEERO Cc1ccc(O)c(C(=O)NCc2sccc2C#CC[NH3+])c1 ZINC000148674151 186045785 /nfs/dbraw/zinc/04/57/85/186045785.db2.gz NKNNCPUDIUZFAW-UHFFFAOYSA-N 1 0 300.383 2.002 10 30 DEEERO C=CCN(C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H](C)COC ZINC000625939395 365964870 /nfs/dbraw/zinc/96/48/70/365964870.db2.gz XDAIYELKUSMHON-ZDUSSCGKSA-N 1 0 319.405 2.223 10 30 DEEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)CCN1CC[NH+](CC)CC1 ZINC000617040491 363007005 /nfs/dbraw/zinc/00/70/05/363007005.db2.gz VBVQXEIMAUDODU-IAGOWNOFSA-N 1 0 307.482 2.265 10 30 DEEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000617044940 363009200 /nfs/dbraw/zinc/00/92/00/363009200.db2.gz VPAGBLWSLSHBKY-HUUCEWRRSA-N 1 0 304.438 2.309 10 30 DEEERO N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000333245703 539953021 /nfs/dbraw/zinc/95/30/21/539953021.db2.gz BRMYOGXKOWIUAA-GWCFXTLKSA-N 1 0 302.353 2.285 10 30 DEEERO C=CCCO[C@H](C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000066320259 354709228 /nfs/dbraw/zinc/70/92/28/354709228.db2.gz PGQCVBNWDCFZTG-NVXWUHKLSA-N 1 0 304.434 2.257 10 30 DEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000076737863 355165594 /nfs/dbraw/zinc/16/55/94/355165594.db2.gz GRPFTFFWIGVSDO-INIZCTEOSA-N 1 0 316.449 2.017 10 30 DEEERO N#Cc1cc(Br)ccc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261557670 283087185 /nfs/dbraw/zinc/08/71/85/283087185.db2.gz CTAHHEAABRYBPC-ZYHUDNBSSA-N 1 0 306.207 2.366 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000595602072 358497823 /nfs/dbraw/zinc/49/78/23/358497823.db2.gz HELHBFVVJOSFHV-HIFRSBDPSA-N 1 0 305.378 2.481 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182265108 356118508 /nfs/dbraw/zinc/11/85/08/356118508.db2.gz QMYBXCBRMUNFQF-CYBMUJFWSA-N 1 0 302.374 2.267 10 30 DEEERO Cc1noc([C@@H]2CC[C@H](CNc3cc(C)nc(C)c3C#N)O2)n1 ZINC000328612799 356460668 /nfs/dbraw/zinc/46/06/68/356460668.db2.gz PYVZRWICTNWXDI-DOMZBBRYSA-N 1 0 313.361 2.016 10 30 DEEERO C=CCN(CC=C)S(=O)(=O)c1ccccc1C[NH2+]C1CC1 ZINC000088904490 192649611 /nfs/dbraw/zinc/64/96/11/192649611.db2.gz TVZDJYCQDFVOKZ-UHFFFAOYSA-N 1 0 306.431 2.301 10 30 DEEERO Cn1cc(C[NH2+]C[C@@H]2CCCN2C)c(-c2ccc(C#N)cc2)n1 ZINC000180128259 199120711 /nfs/dbraw/zinc/12/07/11/199120711.db2.gz NWZYCBSFDJHHTG-KRWDZBQOSA-N 1 0 309.417 2.143 10 30 DEEERO C[C@H](COCc1ccccc1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594432869 358268761 /nfs/dbraw/zinc/26/87/61/358268761.db2.gz HHSVXVGUDLHNMK-ZBFHGGJFSA-N 1 0 303.406 2.119 10 30 DEEERO N#C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000618792848 363604134 /nfs/dbraw/zinc/60/41/34/363604134.db2.gz KFNVOJCAAPCMMI-INIZCTEOSA-N 1 0 301.365 2.381 10 30 DEEERO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2cc(C#N)ccn2)C1 ZINC000596549885 358711378 /nfs/dbraw/zinc/71/13/78/358711378.db2.gz BFSMZSDXFWOJRH-GOSISDBHSA-N 1 0 321.428 2.181 10 30 DEEERO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207350 366478581 /nfs/dbraw/zinc/47/85/81/366478581.db2.gz ORBFEWZIGQKFPN-KGLIPLIRSA-N 1 0 321.421 2.000 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCc2cc(F)ccc2OC)CC1 ZINC000186769051 200006778 /nfs/dbraw/zinc/00/67/78/200006778.db2.gz AEJWQYHEKZKANJ-UHFFFAOYSA-N 1 0 321.396 2.284 10 30 DEEERO C=CC[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000186934016 200032951 /nfs/dbraw/zinc/03/29/51/200032951.db2.gz ZSGOCSQHGWECBY-ROUUACIJSA-N 1 0 316.445 2.309 10 30 DEEERO COCC[N@@H+]1CCN(Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000186970705 200040783 /nfs/dbraw/zinc/04/07/83/200040783.db2.gz BUKNABMFRUAYQA-ZDUSSCGKSA-N 1 0 307.825 2.364 10 30 DEEERO C=CCCC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000619066819 363690863 /nfs/dbraw/zinc/69/08/63/363690863.db2.gz ZVHFVRIIPPWMLA-UHFFFAOYSA-N 1 0 313.445 2.424 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000627830878 366635623 /nfs/dbraw/zinc/63/56/23/366635623.db2.gz QWNHFFBFPPKZMV-MHORFTMASA-N 1 0 314.429 2.039 10 30 DEEERO CCC[NH+]1CCC(NC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000609339766 361304965 /nfs/dbraw/zinc/30/49/65/361304965.db2.gz OGEOULGLHHYFCN-UHFFFAOYSA-N 1 0 318.396 2.371 10 30 DEEERO CCCC[N@H+](C)CCNC(=O)NCc1ccc(C#N)cc1F ZINC000609573162 361322500 /nfs/dbraw/zinc/32/25/00/361322500.db2.gz ZXXOTOVVOSXMEO-UHFFFAOYSA-N 1 0 306.385 2.228 10 30 DEEERO C=CCCN[C@@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1 ZINC000611796751 361684855 /nfs/dbraw/zinc/68/48/55/361684855.db2.gz SSXVIMFLQUJNSK-SFHVURJKSA-N 1 0 302.418 2.360 10 30 DEEERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000275358006 212288651 /nfs/dbraw/zinc/28/86/51/212288651.db2.gz AREWVYLCTGLQNO-XHDPSFHLSA-N 1 0 302.403 2.221 10 30 DEEERO C=CC(C)(C)CC[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000623592993 365093689 /nfs/dbraw/zinc/09/36/89/365093689.db2.gz NVPSVGGSSLRTNL-UHFFFAOYSA-N 1 0 300.399 2.165 10 30 DEEERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cnc2ccc(C#N)cn12 ZINC000091892491 193123094 /nfs/dbraw/zinc/12/30/94/193123094.db2.gz QOGNSEGWQLBZFB-CVEARBPZSA-N 1 0 309.417 2.265 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842041 368417116 /nfs/dbraw/zinc/41/71/16/368417116.db2.gz UKCYOFCMLNEVCN-QLFBSQMISA-N 1 0 321.490 2.178 10 30 DEEERO COC(=O)c1sccc1NC(=O)c1csc(C#CC[NH3+])c1 ZINC000093975814 193332646 /nfs/dbraw/zinc/33/26/46/193332646.db2.gz ZPADVQCHLVTADS-UHFFFAOYSA-N 1 0 320.395 2.159 10 30 DEEERO COCCN(CC(C)C)C(=O)c1cc(C)c(C#CC[NH3+])s1 ZINC000094536516 193377988 /nfs/dbraw/zinc/37/79/88/193377988.db2.gz LPFVDQHPPFGUKR-UHFFFAOYSA-N 1 0 308.447 2.111 10 30 DEEERO C#CC[C@@H]([NH3+])C(=O)Nc1scc(C2CC2)c1C(=O)OCC ZINC000160181570 197391192 /nfs/dbraw/zinc/39/11/92/197391192.db2.gz KKHSRUIQMJKGRI-LLVKDONJSA-N 1 0 306.387 2.091 10 30 DEEERO C#CCN(C)S(=O)(=O)c1cc(C[NH2+]C(C)C)ccc1Cl ZINC000159884346 197371290 /nfs/dbraw/zinc/37/12/90/197371290.db2.gz XSKDGWGOVHOLJM-UHFFFAOYSA-N 1 0 314.838 2.092 10 30 DEEERO N#Cc1cncc2cccc(OC3CC[NH+](CCCO)CC3)c12 ZINC000038609470 183004479 /nfs/dbraw/zinc/00/44/79/183004479.db2.gz XTLVLLIEEPZTSB-UHFFFAOYSA-N 1 0 311.385 2.332 10 30 DEEERO CCCO[C@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])s2)C1 ZINC000042426650 183269149 /nfs/dbraw/zinc/26/91/49/183269149.db2.gz HWFBASJRKPNRMA-ZDUSSCGKSA-N 1 0 306.431 2.090 10 30 DEEERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CC#N)CC#N ZINC000042952531 183320827 /nfs/dbraw/zinc/32/08/27/183320827.db2.gz XODAJIFSAPMBLX-GXFFZTMASA-N 1 0 307.195 2.187 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105894785 194160343 /nfs/dbraw/zinc/16/03/43/194160343.db2.gz SIAKSBXJAWKYAF-MRXNPFEDSA-N 1 0 316.449 2.374 10 30 DEEERO C[C@H]1c2ccccc2O[C@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000117767723 194847075 /nfs/dbraw/zinc/84/70/75/194847075.db2.gz RMKDAPAVXWILPM-WMLDXEAASA-N 1 0 315.417 2.245 10 30 DEEERO C#CCN(CCC)S(=O)(=O)c1ccc(C[NH2+]CCC)cc1 ZINC000161868424 197525180 /nfs/dbraw/zinc/52/51/80/197525180.db2.gz ONIQFSQGKITDGY-UHFFFAOYSA-N 1 0 308.447 2.220 10 30 DEEERO CC[C@@H]1CN(C(=O)c2cccc(C#CC[NH3+])c2C)CCS1 ZINC000157979566 197231675 /nfs/dbraw/zinc/23/16/75/197231675.db2.gz NWQQEFRPJVOEGB-OAHLLOKOSA-N 1 0 302.443 2.273 10 30 DEEERO C=CC[N@H+]1CC[C@H]2[C@H]1CCN2C(=O)Cc1cccc(OC)c1 ZINC000247918151 257115163 /nfs/dbraw/zinc/11/51/63/257115163.db2.gz WRLCKYMZNSJEBH-SJORKVTESA-N 1 0 300.402 2.099 10 30 DEEERO C[C@]1(C[NH2+]C[C@H](O)COc2cccc(C#N)c2)CCCS1 ZINC000122200573 195417497 /nfs/dbraw/zinc/41/74/97/195417497.db2.gz UCXOSWUIGPMVIC-GOEBONIOSA-N 1 0 306.431 2.173 10 30 DEEERO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(C#N)cc1F ZINC000447598370 533363402 /nfs/dbraw/zinc/36/34/02/533363402.db2.gz HWKYWVQRWYYWKO-CYBMUJFWSA-N 1 0 303.381 2.213 10 30 DEEERO CC1=CC[N@H+](CCNC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000358180866 133126915 /nfs/dbraw/zinc/12/69/15/133126915.db2.gz BLAFYQCDQVQLNQ-UHFFFAOYSA-N 1 0 312.417 2.352 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000247310061 145133023 /nfs/dbraw/zinc/13/30/23/145133023.db2.gz LWIZMJQYRJLXLN-RHSMWYFYSA-N 1 0 314.433 2.428 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000247593595 145141893 /nfs/dbraw/zinc/14/18/93/145141893.db2.gz JXAPCULBTRUOMM-CQSZACIVSA-N 1 0 305.397 2.240 10 30 DEEERO COCC[NH+]1CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358582075 147160241 /nfs/dbraw/zinc/16/02/41/147160241.db2.gz ZRKLNANTMMFKIX-CYBMUJFWSA-N 1 0 305.397 2.459 10 30 DEEERO N#Cc1ccc2ncc(CN3CCC([NH+]4CCCC4)CC3)n2c1 ZINC000127721766 401747408 /nfs/dbraw/zinc/74/74/08/401747408.db2.gz GBLUXNUDJCLRRA-UHFFFAOYSA-N 1 0 309.417 2.266 10 30 DEEERO C=C(C)COCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000130415964 401830724 /nfs/dbraw/zinc/83/07/24/401830724.db2.gz HDZYJVRKPVJONU-UHFFFAOYSA-N 1 0 323.412 2.279 10 30 DEEERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccc(C#N)cc1 ZINC000131615668 401853775 /nfs/dbraw/zinc/85/37/75/401853775.db2.gz MMLNSWOKUVXZRI-CQSZACIVSA-N 1 0 318.380 2.446 10 30 DEEERO CC(C)(C)NC(=[NH2+])SCC(=O)N1CCc2sccc2C1 ZINC000029547624 401857114 /nfs/dbraw/zinc/85/71/14/401857114.db2.gz VOBWXZHICAQPEB-UHFFFAOYSA-N 1 0 311.476 2.479 10 30 DEEERO CC(C)CN(C(=O)c1cc(C#N)cn1C)C1CC[NH+](C)CC1 ZINC000081758694 401898226 /nfs/dbraw/zinc/89/82/26/401898226.db2.gz BMQWXTFAQCMHHB-UHFFFAOYSA-N 1 0 302.422 2.089 10 30 DEEERO C[C@@H]1C[C@@H](N(C)C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1C ZINC000089815121 401966073 /nfs/dbraw/zinc/96/60/73/401966073.db2.gz BKYIVCJIKQWSKE-ZBFHGGJFSA-N 1 0 315.417 2.073 10 30 DEEERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1cccc(C#N)c1 ZINC000046279493 401968233 /nfs/dbraw/zinc/96/82/33/401968233.db2.gz QTVDDRXALXZZEJ-AWEZNQCLSA-N 1 0 302.422 2.430 10 30 DEEERO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093664530 402018095 /nfs/dbraw/zinc/01/80/95/402018095.db2.gz NAOKVYQWNYJGCA-KRWDZBQOSA-N 1 0 316.445 2.406 10 30 DEEERO CC(C)C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)[NH+](C)C ZINC000103339827 402185308 /nfs/dbraw/zinc/18/53/08/402185308.db2.gz CZYXYEZZRVUMQW-GDBMZVCRSA-N 1 0 317.433 2.418 10 30 DEEERO C[NH+](C)CCCN(CCC#N)C(=O)CCc1ccccc1O ZINC000104326816 402202641 /nfs/dbraw/zinc/20/26/41/402202641.db2.gz PQBYUPXBQQCFEK-UHFFFAOYSA-N 1 0 303.406 2.019 10 30 DEEERO CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000153855223 402175526 /nfs/dbraw/zinc/17/55/26/402175526.db2.gz CKLHEXXIMXMFOJ-QGZVFWFLSA-N 1 0 315.417 2.470 10 30 DEEERO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000070788054 402264664 /nfs/dbraw/zinc/26/46/64/402264664.db2.gz KNFFPOSSWZHQQA-OLZOCXBDSA-N 1 0 319.405 2.115 10 30 DEEERO CN(c1cnc(C#N)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185417779 402351116 /nfs/dbraw/zinc/35/11/16/402351116.db2.gz DZWADLKTBVOHSW-UHFFFAOYSA-N 1 0 307.401 2.449 10 30 DEEERO C#CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000185590490 402363753 /nfs/dbraw/zinc/36/37/53/402363753.db2.gz LKENKTDDLZNGBK-WBVHZDCISA-N 1 0 313.445 2.458 10 30 DEEERO C=CC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000185883745 402385888 /nfs/dbraw/zinc/38/58/88/402385888.db2.gz KPKSOUABYYHJIN-NVXWUHKLSA-N 1 0 320.408 2.091 10 30 DEEERO C[C@H](CNC(=O)c1cc(C#N)cn1C)[N@@H+]1CCc2ccccc2C1 ZINC000176674104 402327985 /nfs/dbraw/zinc/32/79/85/402327985.db2.gz UCONBMOHPGUFHW-CQSZACIVSA-N 1 0 322.412 2.073 10 30 DEEERO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000159841421 402331505 /nfs/dbraw/zinc/33/15/05/402331505.db2.gz JNRUDWUBNDTBLQ-MRXNPFEDSA-N 1 0 320.462 2.204 10 30 DEEERO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C#N)cs1 ZINC000177698549 402428065 /nfs/dbraw/zinc/42/80/65/402428065.db2.gz HZXXOQBNXRYCBQ-MRXNPFEDSA-N 1 0 313.426 2.409 10 30 DEEERO Cc1cscc1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000163108620 402441932 /nfs/dbraw/zinc/44/19/32/402441932.db2.gz STLRGWWHDACYLO-UHFFFAOYSA-N 1 0 320.439 2.492 10 30 DEEERO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171081734 402555848 /nfs/dbraw/zinc/55/58/48/402555848.db2.gz RYFLVACTGAJEJR-ZDUSSCGKSA-N 1 0 302.378 2.125 10 30 DEEERO C=CCCC[C@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000248487761 402593415 /nfs/dbraw/zinc/59/34/15/402593415.db2.gz LYSZYYVQJBTHKO-HRCADAONSA-N 1 0 311.470 2.218 10 30 DEEERO N#Cc1ccc2nc(NC[C@@H](O)C[NH+]3CCCCC3)ccc2c1 ZINC000179886950 402602818 /nfs/dbraw/zinc/60/28/18/402602818.db2.gz GWVHWDKPCAXCTG-MRXNPFEDSA-N 1 0 310.401 2.365 10 30 DEEERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(C#N)cn1C ZINC000181027438 402633214 /nfs/dbraw/zinc/63/32/14/402633214.db2.gz OFVSFQVTGONQLL-CQSZACIVSA-N 1 0 310.401 2.147 10 30 DEEERO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347663 402651333 /nfs/dbraw/zinc/65/13/33/402651333.db2.gz FKVIATSVFDJFHY-AWEZNQCLSA-N 1 0 312.417 2.055 10 30 DEEERO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccnc(C#N)c2)C1 ZINC000192713300 402745782 /nfs/dbraw/zinc/74/57/82/402745782.db2.gz KLPVEJNIVXAHMA-AWEZNQCLSA-N 1 0 300.406 2.195 10 30 DEEERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000182896845 402725166 /nfs/dbraw/zinc/72/51/66/402725166.db2.gz CAXFUZZBOXREHN-CXAGYDPISA-N 1 0 309.369 2.208 10 30 DEEERO CN(C)C(=O)[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1 ZINC000194407146 402795801 /nfs/dbraw/zinc/79/58/01/402795801.db2.gz YWINRAMGYODUEA-GOSISDBHSA-N 1 0 323.396 2.356 10 30 DEEERO CCC[NH+]1CCC(CNC(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000195390528 402844337 /nfs/dbraw/zinc/84/43/37/402844337.db2.gz GVWBRQAUJYGLDG-UHFFFAOYSA-N 1 0 300.406 2.114 10 30 DEEERO C=CCN1CC[C@H](N2C[C@H](c3ccccc3)OC[C@H]2C)C1=O ZINC000281919085 403104398 /nfs/dbraw/zinc/10/43/98/403104398.db2.gz HAFHKRNVTMSOKU-HYVNUMGLSA-N 1 0 300.402 2.235 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000285017479 403276715 /nfs/dbraw/zinc/27/67/15/403276715.db2.gz GTYKCKPIAHEVTO-OALUTQOASA-N 1 0 324.399 2.446 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000298368438 403367760 /nfs/dbraw/zinc/36/77/60/403367760.db2.gz QCCBMILMQIXRTE-ZBFHGGJFSA-N 1 0 314.389 2.115 10 30 DEEERO N#Cc1cc(F)c(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000301713938 403668793 /nfs/dbraw/zinc/66/87/93/403668793.db2.gz IZWRDMOVZDEKRA-KGLIPLIRSA-N 1 0 321.371 2.262 10 30 DEEERO Cc1cc(C#N)nc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000287958342 403699189 /nfs/dbraw/zinc/69/91/89/403699189.db2.gz SQICBDWQELHGHX-QGZVFWFLSA-N 1 0 307.401 2.367 10 30 DEEERO CCOCCN1CCN(c2cc(C(C)=O)ccc2C#N)C[C@H]1C ZINC000302118790 403707810 /nfs/dbraw/zinc/70/78/10/403707810.db2.gz SPJTWYYCJYONMH-CQSZACIVSA-N 1 0 315.417 2.308 10 30 DEEERO C=C(C)CC[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000351885915 403984960 /nfs/dbraw/zinc/98/49/60/403984960.db2.gz AOLSAKQGCNWXTP-UHFFFAOYSA-N 1 0 307.482 2.265 10 30 DEEERO C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)C1=CC[N@H+](C)CC1 ZINC000329286046 404291537 /nfs/dbraw/zinc/29/15/37/404291537.db2.gz GRHAZHDBKHMOIU-QILLFSRXSA-N 1 0 321.465 2.178 10 30 DEEERO C#Cc1ccc(CNC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 ZINC000296461421 404261160 /nfs/dbraw/zinc/26/11/60/404261160.db2.gz LAUVLJVERBZLLA-KRWDZBQOSA-N 1 0 320.396 2.141 10 30 DEEERO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329709314 404429040 /nfs/dbraw/zinc/42/90/40/404429040.db2.gz LNRYDUMJVGUSTO-ARLBYUKCSA-N 1 0 308.422 2.011 10 30 DEEERO CCc1nc(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cs1 ZINC000329709632 404429701 /nfs/dbraw/zinc/42/97/01/404429701.db2.gz NEHLMIOLOGSJKJ-LLVKDONJSA-N 1 0 308.451 2.360 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@](C)(O)CC1 ZINC000329984904 404515872 /nfs/dbraw/zinc/51/58/72/404515872.db2.gz QSMCXGFVNQRDKL-WBVHZDCISA-N 1 0 311.470 2.258 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)Nc2cn(C)nc2C2CC2)CC1 ZINC000291983319 404611934 /nfs/dbraw/zinc/61/19/34/404611934.db2.gz FTSRBSFKYUMSCU-UHFFFAOYSA-N 1 0 317.437 2.460 10 30 DEEERO C=C(C)Cn1c(CC2CC2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000358947982 404779852 /nfs/dbraw/zinc/77/98/52/404779852.db2.gz DNFXQHPEBQDOOM-UHFFFAOYSA-N 1 0 303.454 2.339 10 30 DEEERO C=CCC(C)(C)CNC(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415241837 404832641 /nfs/dbraw/zinc/83/26/41/404832641.db2.gz MLHNKTKPGUIYPD-UHFFFAOYSA-N 1 0 317.433 2.453 10 30 DEEERO CCOC(=O)[C@@H]1C[N@H+](CCCCC(C)(C)C#N)CC12COC2 ZINC000451131234 404875331 /nfs/dbraw/zinc/87/53/31/404875331.db2.gz GXKAETKLHBCRKL-AWEZNQCLSA-N 1 0 308.422 2.218 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N(C)Cc2cnccc2C)CC1 ZINC000353725771 404941940 /nfs/dbraw/zinc/94/19/40/404941940.db2.gz SWUWSBCTTVSPCR-UHFFFAOYSA-N 1 0 302.422 2.182 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000435740742 405009224 /nfs/dbraw/zinc/00/92/24/405009224.db2.gz LOJADIKJUXIQBV-GOEBONIOSA-N 1 0 300.406 2.417 10 30 DEEERO N#Cc1nccc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000379673810 405027056 /nfs/dbraw/zinc/02/70/56/405027056.db2.gz RTQBOBNPZBJIAH-INIZCTEOSA-N 1 0 307.401 2.237 10 30 DEEERO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418723713 405181032 /nfs/dbraw/zinc/18/10/32/405181032.db2.gz MXSUBQSRZUIHKW-KBPBESRZSA-N 1 0 307.442 2.287 10 30 DEEERO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418723719 405181450 /nfs/dbraw/zinc/18/14/50/405181450.db2.gz MXSUBQSRZUIHKW-ZIAGYGMSSA-N 1 0 307.442 2.287 10 30 DEEERO C[N@H+](CCNC(=O)NCC1CCC(C#N)CC1)C1CCCC1 ZINC000441011993 405333172 /nfs/dbraw/zinc/33/31/72/405333172.db2.gz QFIOJWFOIIIPJA-UHFFFAOYSA-N 1 0 306.454 2.490 10 30 DEEERO C=CCOc1ccc(CC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000448956796 405472081 /nfs/dbraw/zinc/47/20/81/405472081.db2.gz RUBOBXSADTYYGD-GOSISDBHSA-N 1 0 314.429 2.347 10 30 DEEERO C=CC[C@@]1(C(=O)NC[C@]2(C)COc3ccccc3O2)CCC[NH2+]1 ZINC000638461044 405483882 /nfs/dbraw/zinc/48/38/82/405483882.db2.gz RFYAGHKIEFCDIG-MSOLQXFVSA-N 1 0 316.401 2.031 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000564880241 406067432 /nfs/dbraw/zinc/06/74/32/406067432.db2.gz JGNVASUWHCEHGB-VGWMRTNUSA-N 1 0 309.454 2.140 10 30 DEEERO C=C(C)Cn1c(COC)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000634373157 406118914 /nfs/dbraw/zinc/11/89/14/406118914.db2.gz QLEZWZUPOJPZNB-UHFFFAOYSA-N 1 0 321.469 2.311 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000632661976 406218798 /nfs/dbraw/zinc/21/87/98/406218798.db2.gz PRKKMALZQIHENU-HNNXBMFYSA-N 1 0 323.481 2.038 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634721086 406246612 /nfs/dbraw/zinc/24/66/12/406246612.db2.gz UDPLZGLSKHCKNP-STQMWFEESA-N 1 0 320.216 2.260 10 30 DEEERO C=CCCCCCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000569706852 406292971 /nfs/dbraw/zinc/29/29/71/406292971.db2.gz QKOCBOOEGDXPBO-UHFFFAOYSA-N 1 0 310.486 2.058 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000633016160 406354681 /nfs/dbraw/zinc/35/46/81/406354681.db2.gz IYFAHWUPDUBQTB-UHFFFAOYSA-N 1 0 303.406 2.192 10 30 DEEERO C=CCOc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000632875727 406302757 /nfs/dbraw/zinc/30/27/57/406302757.db2.gz NCKQDMOKQFWMTL-RDJZCZTQSA-N 1 0 300.402 2.466 10 30 DEEERO C=CCC1(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000638419283 406762194 /nfs/dbraw/zinc/76/21/94/406762194.db2.gz GGTQOTNEFJJASD-QGZVFWFLSA-N 1 0 315.461 2.451 10 30 DEEERO [NH3+]CC#Cc1ccc(F)c(C(=O)NCCCC(F)(F)F)c1 ZINC000131052287 196135414 /nfs/dbraw/zinc/13/54/14/196135414.db2.gz PZGJISNSDWGRKW-UHFFFAOYSA-N 1 0 302.271 2.208 10 30 DEEERO [NH3+]CC#Cc1cc(F)ccc1C(=O)NCCCC(F)(F)F ZINC000131053054 196136169 /nfs/dbraw/zinc/13/61/69/196136169.db2.gz DTBMDQHGCQDYOT-UHFFFAOYSA-N 1 0 302.271 2.208 10 30 DEEERO N#Cc1cc(Br)ccc1NC[C@@H](O)C[NH+]1CCCC1 ZINC000132359547 196248730 /nfs/dbraw/zinc/24/87/30/196248730.db2.gz JIRBEFFVXMIFLZ-CYBMUJFWSA-N 1 0 324.222 2.189 10 30 DEEERO C[C@H]1C[NH2+]C[C@@H](COc2cc(Br)ccc2C#N)O1 ZINC000133425199 196330285 /nfs/dbraw/zinc/33/02/85/196330285.db2.gz BLAKFIHQQMCGSU-CABZTGNLSA-N 1 0 311.179 2.076 10 30 DEEERO CO[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1C ZINC000189255558 225047130 /nfs/dbraw/zinc/04/71/30/225047130.db2.gz RFZGSPPQUPVDAM-CJNGLKHVSA-N 1 0 301.390 2.244 10 30 DEEERO COc1cccc(OC(F)(F)F)c1CNC1=[NH+]C[C@@H](C)N1 ZINC000262656888 225280322 /nfs/dbraw/zinc/28/03/22/225280322.db2.gz LUWHNEAGSLMKDF-MRVPVSSYSA-N 1 0 303.284 2.031 10 30 DEEERO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])N1CCCCCC1 ZINC000262745382 225283395 /nfs/dbraw/zinc/28/33/95/225283395.db2.gz AEOSKOSNXSHFPT-GOEBONIOSA-N 1 0 319.453 2.171 10 30 DEEERO [NH2+]=C(NCCc1cnc2c(Cl)cnn2c1)N1CCCCCC1 ZINC000263084953 225291163 /nfs/dbraw/zinc/29/11/63/225291163.db2.gz IFVDYBPGPJHQHP-UHFFFAOYSA-N 1 0 320.828 2.116 10 30 DEEERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000333682804 226109506 /nfs/dbraw/zinc/10/95/06/226109506.db2.gz OZDMSYXUMNQXCT-PQEBFOHHSA-N 1 0 312.417 2.076 10 30 DEEERO C#CCOC[C@H](O)C[N@H+](Cc1cccc(OC)c1)[C@H](C)CC ZINC000104972670 424848990 /nfs/dbraw/zinc/84/89/90/424848990.db2.gz LXKXABYXWRFLLG-NVXWUHKLSA-N 1 0 305.418 2.306 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCCOC3)CC1 ZINC000367415337 275738765 /nfs/dbraw/zinc/73/87/65/275738765.db2.gz MMKIRZCJMZRUQW-GOSISDBHSA-N 1 0 321.465 2.239 10 30 DEEERO CC[C@@H]([NH2+]CC(=O)N(CC)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000181527644 276434715 /nfs/dbraw/zinc/43/47/15/276434715.db2.gz SPBAKILNQGKFTN-OAHLLOKOSA-N 1 0 318.377 2.398 10 30 DEEERO CN(C)C(=[NH+]Cc1cc(Cl)ccc1N1CCOCC1)N(C)C ZINC000262222171 276739558 /nfs/dbraw/zinc/73/95/58/276739558.db2.gz VMHFNTNLPGFDKL-UHFFFAOYSA-N 1 0 324.856 2.156 10 30 DEEERO CC(C)[C@H]1CCO[C@H]1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000329401089 277945345 /nfs/dbraw/zinc/94/53/45/277945345.db2.gz XZRROCMZZJVVJO-HUUCEWRRSA-N 1 0 312.454 2.239 10 30 DEEERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cc(N(C)C)ncn1 ZINC000329527753 279303961 /nfs/dbraw/zinc/30/39/61/279303961.db2.gz SFOGKSSHSKRJCD-CYBMUJFWSA-N 1 0 320.441 2.133 10 30 DEEERO CC[C@H]([NH2+]CC(=O)N(CC)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000181527627 280931970 /nfs/dbraw/zinc/93/19/70/280931970.db2.gz SPBAKILNQGKFTN-HNNXBMFYSA-N 1 0 318.377 2.398 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]Cc3ccc4c(c3)OCCO4)n2c1 ZINC000172338298 325728311 /nfs/dbraw/zinc/72/83/11/325728311.db2.gz QYDHEECTYPLHFC-UHFFFAOYSA-N 1 0 320.352 2.267 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)[C@@H](C)CCC)CC1 ZINC000518777887 333162161 /nfs/dbraw/zinc/16/21/61/333162161.db2.gz BLSIWKUTQCGLLA-GOEBONIOSA-N 1 0 311.470 2.123 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000563064007 333245066 /nfs/dbraw/zinc/24/50/66/333245066.db2.gz KNRQJGZOGCVPDI-IUODEOHRSA-N 1 0 303.362 2.107 10 30 DEEERO C#Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000297042058 335148620 /nfs/dbraw/zinc/14/86/20/335148620.db2.gz VBDHERXYHNFCNC-GOSISDBHSA-N 1 0 311.429 2.484 10 30 DEEERO N#Cc1c(Br)cccc1NC[C@@H]1C[NH2+]CCCO1 ZINC000390095391 336933739 /nfs/dbraw/zinc/93/37/39/336933739.db2.gz WWAGAZFLLQVBJR-JTQLQIEISA-N 1 0 310.195 2.111 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178333019 337162051 /nfs/dbraw/zinc/16/20/51/337162051.db2.gz KKMZKLFCNBFBCV-INIZCTEOSA-N 1 0 304.438 2.081 10 30 DEEERO C#CCN(C)CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400338792 340143990 /nfs/dbraw/zinc/14/39/90/340143990.db2.gz GDBVUDIOVIJVHU-HOTGVXAUSA-N 1 0 323.481 2.177 10 30 DEEERO CN(CCC[NH+](C)C)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000577932564 341949988 /nfs/dbraw/zinc/94/99/88/341949988.db2.gz XDOQWBRTNGZROZ-UHFFFAOYSA-N 1 0 312.373 2.237 10 30 DEEERO Cc1cc(CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)on1 ZINC000262670556 534153052 /nfs/dbraw/zinc/15/30/52/534153052.db2.gz QRQUZLOPLBAWDF-UHFFFAOYSA-N 1 0 316.361 2.114 10 30 DEEERO C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000449308499 534698592 /nfs/dbraw/zinc/69/85/92/534698592.db2.gz XRSYIMNLCLMMHP-KKUMJFAQSA-N 1 0 302.484 2.429 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418580846 526343235 /nfs/dbraw/zinc/34/32/35/526343235.db2.gz TZMKOGDOPQABPE-RHSMWYFYSA-N 1 0 312.417 2.254 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261838494 526346125 /nfs/dbraw/zinc/34/61/25/526346125.db2.gz KQSISWSFQYUKQG-CQSZACIVSA-N 1 0 317.389 2.499 10 30 DEEERO C[NH+]=C(NCCc1ccc2ccccc2n1)N(C)Cc1ccon1 ZINC000261705428 526364982 /nfs/dbraw/zinc/36/49/82/526364982.db2.gz GREWNCVIITUCAF-UHFFFAOYSA-N 1 0 323.400 2.473 10 30 DEEERO C[NH+]=C(NC[C@@H]1CC1(C)C)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000261626246 526368773 /nfs/dbraw/zinc/36/87/73/526368773.db2.gz BVVYFWGHCSIMPE-OLZOCXBDSA-N 1 0 309.454 2.272 10 30 DEEERO C[NH+]=C(NCc1ccsc1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262477131 526387253 /nfs/dbraw/zinc/38/72/53/526387253.db2.gz QKDJTQDUWMBVTC-ZDUSSCGKSA-N 1 0 303.435 2.047 10 30 DEEERO C[NH+]=C(NCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1C[C@H]1C ZINC000262528458 526388874 /nfs/dbraw/zinc/38/88/74/526388874.db2.gz PCATWKLMPPKDEX-BXKDBHETSA-N 1 0 319.796 2.463 10 30 DEEERO C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N[C@@H]1CCC[C@H]1C#N ZINC000262337810 526390427 /nfs/dbraw/zinc/39/04/27/526390427.db2.gz CCHZZKPEJGIRFH-NWDGAFQWSA-N 1 0 303.410 2.329 10 30 DEEERO C[NH+]=C(NCc1nnc2ccccn21)N1CC[C@@H](CC(C)C)C1 ZINC000262500931 526392867 /nfs/dbraw/zinc/39/28/67/526392867.db2.gz YHEXDZFRKRGXPD-AWEZNQCLSA-N 1 0 314.437 2.173 10 30 DEEERO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)C1=O ZINC000337167238 526502718 /nfs/dbraw/zinc/50/27/18/526502718.db2.gz ASNCVVRMDAOXCC-JLJPHGGASA-N 1 0 300.402 2.097 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC000429304418 526599935 /nfs/dbraw/zinc/59/99/35/526599935.db2.gz FTMGZNXLHPXNHU-CQSZACIVSA-N 1 0 303.406 2.136 10 30 DEEERO C=CCOCCNC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000378598402 526779603 /nfs/dbraw/zinc/77/96/03/526779603.db2.gz UQEMLFMULMLTDE-DOTOQJQBSA-N 1 0 317.433 2.151 10 30 DEEERO C=CCOCCNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000378598404 526781036 /nfs/dbraw/zinc/78/10/36/526781036.db2.gz UQEMLFMULMLTDE-RDJZCZTQSA-N 1 0 317.433 2.151 10 30 DEEERO C=CCOCC[NH2+][C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000378545024 526782483 /nfs/dbraw/zinc/78/24/83/526782483.db2.gz NAJALJZZGIWBCE-SJLPKXTDSA-N 1 0 304.434 2.068 10 30 DEEERO C=CCOc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1OC ZINC000373734619 526838770 /nfs/dbraw/zinc/83/87/70/526838770.db2.gz TXAKZSPIXHNOJD-UHFFFAOYSA-N 1 0 316.401 2.180 10 30 DEEERO C=CCCC[C@@H](C)[NH+]1CCN(Cc2nc(COC)no2)CC1 ZINC000444732285 527249036 /nfs/dbraw/zinc/24/90/36/527249036.db2.gz IKACNAMCFOZGGN-CQSZACIVSA-N 1 0 308.426 2.078 10 30 DEEERO C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337528734 527468397 /nfs/dbraw/zinc/46/83/97/527468397.db2.gz COKUKJQOHUNZFH-QLFBSQMISA-N 1 0 302.484 2.429 10 30 DEEERO C=C[C@H](CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000245622721 527573942 /nfs/dbraw/zinc/57/39/42/527573942.db2.gz FPSZQZTUVFDOCZ-IXDOHACOSA-N 1 0 316.445 2.260 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=[NH2+])Nc2cccc(C)c2)[C@@]12CCCO2 ZINC000262342033 527890720 /nfs/dbraw/zinc/89/07/20/527890720.db2.gz CVGXPTVZDCLYDO-UXLLHSPISA-N 1 0 303.406 2.448 10 30 DEEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000251671531 527931677 /nfs/dbraw/zinc/93/16/77/527931677.db2.gz LZIHAUFGJPJNCH-INMHGKMJSA-N 1 0 317.437 2.011 10 30 DEEERO CC[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000262814657 528814371 /nfs/dbraw/zinc/81/43/71/528814371.db2.gz WGFBDDBRWCHOBI-LOWDOPEQSA-N 1 0 321.387 2.434 10 30 DEEERO Cc1nc(C#N)cc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000308201728 624157026 /nfs/dbraw/zinc/15/70/26/624157026.db2.gz YXYNRUDDMGZZCQ-QGZVFWFLSA-N 1 0 307.401 2.367 10 30 DEEERO C=CC[C@H](NC(=O)N1CCN(C2CC2)CC1)c1ccncc1 ZINC000734681833 633418183 /nfs/dbraw/zinc/41/81/83/633418183.db2.gz ZSANQWYTHJTZQL-INIZCTEOSA-N 1 0 300.406 2.188 10 30 DEEERO COCC[NH+]1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735305912 633500675 /nfs/dbraw/zinc/50/06/75/633500675.db2.gz FCMJZAOWLCZJTL-UHFFFAOYSA-N 1 0 323.824 2.006 10 30 DEEERO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)C1CC1 ZINC000585159111 635718501 /nfs/dbraw/zinc/71/85/01/635718501.db2.gz YSVZYOVBKSUOIL-FHFUIKRASA-N 1 0 301.434 2.163 10 30 DEEERO COc1ccc(CCNC(=[NH2+])NC[C@@H](C)C(C)C)cc1OC ZINC000178580532 635944978 /nfs/dbraw/zinc/94/49/78/635944978.db2.gz GJUBRPIRBNUBBM-CYBMUJFWSA-N 1 0 307.438 2.443 10 30 DEEERO C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262780130 639866175 /nfs/dbraw/zinc/86/61/75/639866175.db2.gz KRDBOPSRNOCBBA-GHMZBOCLSA-N 1 0 307.360 2.188 10 30 DEEERO C#CC[N@H+]1CCC[C@H]1COC(=O)Cc1ccc(C)c(OC)c1 ZINC000729809997 640843154 /nfs/dbraw/zinc/84/31/54/640843154.db2.gz QOOQPOIAKONSSL-INIZCTEOSA-N 1 0 301.386 2.187 10 30 DEEERO C[NH+]=C(NCCc1ccc2ccccc2n1)NC[C@H]1CCCO1 ZINC000072735345 649501379 /nfs/dbraw/zinc/50/13/79/649501379.db2.gz XHJJCPMDRAEDNI-MRXNPFEDSA-N 1 0 312.417 2.121 10 30 DEEERO C#CCCOc1ccc(C[NH2+]CC(=O)NCc2ccco2)cc1 ZINC000733324317 649542982 /nfs/dbraw/zinc/54/29/82/649542982.db2.gz PACAYBLUOLTFDF-UHFFFAOYSA-N 1 0 312.369 2.088 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(c2ccc(F)cc2F)CC1 ZINC000090064855 684029920 /nfs/dbraw/zinc/02/99/20/684029920.db2.gz AGGGKJFNNVEJGZ-LBPRGKRZSA-N 1 0 309.360 2.080 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(C(C)C)nn1C ZINC000121613333 684107321 /nfs/dbraw/zinc/10/73/21/684107321.db2.gz XWYJDQCTGQLYLD-CQSZACIVSA-N 1 0 305.422 2.434 10 30 DEEERO Cc1cccc(NC(=[NH2+])NC[C@@H](O)COc2cccc(C)c2)c1 ZINC000303866619 685236613 /nfs/dbraw/zinc/23/66/13/685236613.db2.gz CNVPGIKJCUUUPR-MRXNPFEDSA-N 1 0 313.401 2.470 10 30 DEEERO Cc1noc(CCNC(=[NH2+])Nc2ccc(OC(C)C)cc2)n1 ZINC000303986123 685242249 /nfs/dbraw/zinc/24/22/49/685242249.db2.gz UDWZJLGSUIMJRS-UHFFFAOYSA-N 1 0 303.366 2.135 10 30 DEEERO Cc1nn(C)cc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000886072172 691997371 /nfs/dbraw/zinc/99/73/71/691997371.db2.gz ZRXUYHXDBXXTMY-DLBZAZTESA-N 1 0 314.364 2.359 10 30 DEEERO C#CC[C@@H](COC)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000716858113 793002978 /nfs/dbraw/zinc/00/29/78/793002978.db2.gz XGOIFAVICIYRBT-GJZGRUSLSA-N 1 0 310.438 2.404 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000716826995 793008906 /nfs/dbraw/zinc/00/89/06/793008906.db2.gz CIHVXMSVFDXOAT-QLFBSQMISA-N 1 0 310.438 2.402 10 30 DEEERO Cc1ccccc1[C@H](O)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123740276 799143939 /nfs/dbraw/zinc/14/39/39/799143939.db2.gz DHOWEAPQCVQBOG-QGZVFWFLSA-N 1 0 306.369 2.338 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000800086688 799309025 /nfs/dbraw/zinc/30/90/25/799309025.db2.gz IMOJTZHGCRDNTA-QGZVFWFLSA-N 1 0 316.832 2.269 10 30 DEEERO [NH3+]CCCN(CC(F)(F)F)C(=O)CC(F)(F)C(F)(F)F ZINC000714350022 1082175917 /nfs/dbraw/zinc/17/59/17/1082175917.db2.gz MKZXCWXBBPKRQG-UHFFFAOYSA-N 1 0 316.192 2.314 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000720783910 1086132555 /nfs/dbraw/zinc/13/25/55/1086132555.db2.gz SUEGCDCTYXSMJT-IAGOWNOFSA-N 1 0 318.417 2.314 10 30 DEEERO COc1ccc(C#CC[NH3+])cc1NC(=O)CCC(F)(F)F ZINC000088834271 185266748 /nfs/dbraw/zinc/26/67/48/185266748.db2.gz AJTCPBKLAFOWFO-UHFFFAOYSA-N 1 0 300.280 2.286 10 30 DEEERO Cn1nccc1C1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000092810365 185342914 /nfs/dbraw/zinc/34/29/14/185342914.db2.gz YVTRJLMRQQFFGC-UHFFFAOYSA-N 1 0 320.400 2.319 10 30 DEEERO N#Cc1ccc2ncc(C[NH+]3CCC(c4cc[nH]n4)CC3)n2c1 ZINC000092810786 185342951 /nfs/dbraw/zinc/34/29/51/185342951.db2.gz BBSFUFXVQXNDMY-UHFFFAOYSA-N 1 0 306.373 2.309 10 30 DEEERO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCC(=O)N2)ccc1OC ZINC000076760277 539362269 /nfs/dbraw/zinc/36/22/69/539362269.db2.gz MKQDOBIJFFHEFS-AWEZNQCLSA-N 1 0 304.390 2.018 10 30 DEEERO C=CCOCCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000371636981 404468301 /nfs/dbraw/zinc/46/83/01/404468301.db2.gz FLWCASAXGQJWHG-KRWDZBQOSA-N 1 0 317.433 2.153 10 30 DEEERO C=CC[C@H]1CCN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000625896291 365946706 /nfs/dbraw/zinc/94/67/06/365946706.db2.gz AKGUGJITPPSVLS-JSGCOSHPSA-N 1 0 300.406 2.328 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159608477 186130728 /nfs/dbraw/zinc/13/07/28/186130728.db2.gz BKAHOIZMTJNPAT-ZFWWWQNUSA-N 1 0 318.417 2.346 10 30 DEEERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000173794677 198253280 /nfs/dbraw/zinc/25/32/80/198253280.db2.gz CHCNEMAMPUKNHC-CJNGLKHVSA-N 1 0 300.406 2.182 10 30 DEEERO C=C[C@@](C)(CC)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617704042 363227936 /nfs/dbraw/zinc/22/79/36/363227936.db2.gz URBMMYYDEHULAN-HKUYNNGSSA-N 1 0 316.445 2.472 10 30 DEEERO C=CC[N@H+](CCn1nc2ccccn2c1=O)Cc1ccccc1 ZINC000045796854 354263642 /nfs/dbraw/zinc/26/36/42/354263642.db2.gz IANRUNKLQQWTHV-UHFFFAOYSA-N 1 0 308.385 2.184 10 30 DEEERO CNC(=[NH2+])Nc1cc(Br)ccc1Br ZINC000052091718 354394139 /nfs/dbraw/zinc/39/41/39/354394139.db2.gz JYUKXMJGYKUXEL-UHFFFAOYSA-N 1 0 306.989 2.377 10 30 DEEERO C=CCOc1ccccc1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000060818315 354621125 /nfs/dbraw/zinc/62/11/25/354621125.db2.gz APTMVQPJHTUOCK-UHFFFAOYSA-N 1 0 304.434 2.452 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000075693819 191510189 /nfs/dbraw/zinc/51/01/89/191510189.db2.gz ANLHRELLSBAVGB-CYBMUJFWSA-N 1 0 303.406 2.030 10 30 DEEERO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000595602017 358497918 /nfs/dbraw/zinc/49/79/18/358497918.db2.gz FROIDMLZRNIWBE-DZGCQCFKSA-N 1 0 307.438 2.479 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000132147393 355849893 /nfs/dbraw/zinc/84/98/93/355849893.db2.gz ZQXNRRKLIUCQRE-WBMJQRKESA-N 1 0 318.396 2.225 10 30 DEEERO Cc1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000158822911 355960246 /nfs/dbraw/zinc/96/02/46/355960246.db2.gz NFGZNHXBKFPPIW-UHFFFAOYSA-N 1 0 320.439 2.492 10 30 DEEERO C=C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)OC ZINC000390003455 356707838 /nfs/dbraw/zinc/70/78/38/356707838.db2.gz QQEACHKTDVNWPR-FBVQUNGASA-N 1 0 314.429 2.499 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000579492002 356985232 /nfs/dbraw/zinc/98/52/32/356985232.db2.gz SOWQHQWSQVYWMG-AWEZNQCLSA-N 1 0 317.389 2.451 10 30 DEEERO C=C(C)CN(CC)S(=O)(=O)c1ccc(OCCC[NH3+])cc1 ZINC000088929760 192659793 /nfs/dbraw/zinc/65/97/93/192659793.db2.gz HJVZJHALYLMVFT-UHFFFAOYSA-N 1 0 312.435 2.001 10 30 DEEERO C=C(C)[C@@H](CO)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000590703150 357585880 /nfs/dbraw/zinc/58/58/80/357585880.db2.gz PXMLYMWFEFMQOS-QGZVFWFLSA-N 1 0 313.401 2.146 10 30 DEEERO C=CCCn1cc(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)OC)nn1 ZINC000593968831 358181107 /nfs/dbraw/zinc/18/11/07/358181107.db2.gz RNDGHHORQDNJAO-HOCLYGCPSA-N 1 0 306.410 2.066 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000627120354 366450223 /nfs/dbraw/zinc/45/02/23/366450223.db2.gz CFZNYLVQSDNZHK-CABCVRRESA-N 1 0 309.454 2.127 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000595877787 358570621 /nfs/dbraw/zinc/57/06/21/358570621.db2.gz KDLGGSQALGRFSP-ZFWWWQNUSA-N 1 0 315.417 2.049 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2cccc(CC(=O)OC)c2)CCC[NH2+]1 ZINC000595935899 358583295 /nfs/dbraw/zinc/58/32/95/358583295.db2.gz JLJHHYORJWRNGJ-KRWDZBQOSA-N 1 0 302.374 2.039 10 30 DEEERO C=CC[C@]1(C(=O)N2CCC[C@@H](CCC(=O)OCC)C2)CCC[NH2+]1 ZINC000595955621 358586613 /nfs/dbraw/zinc/58/66/13/358586613.db2.gz BZQCCQPKQJYYSV-MAUKXSAKSA-N 1 0 322.449 2.267 10 30 DEEERO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)CC1(O)CCC1 ZINC000599283209 359448545 /nfs/dbraw/zinc/44/85/45/359448545.db2.gz QZHDYQLJQBJFSO-QGZVFWFLSA-N 1 0 300.402 2.212 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599940387 359623526 /nfs/dbraw/zinc/62/35/26/359623526.db2.gz ONHWJOAIIFZRQB-PBHICJAKSA-N 1 0 312.417 2.396 10 30 DEEERO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)c2ccccc21 ZINC000600733498 359814323 /nfs/dbraw/zinc/81/43/23/359814323.db2.gz ZNLCVFXQENJBIR-GOEBONIOSA-N 1 0 313.401 2.129 10 30 DEEERO N#Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000609252867 361291623 /nfs/dbraw/zinc/29/16/23/361291623.db2.gz IKZOLKWPLKHDLZ-GJZGRUSLSA-N 1 0 316.380 2.123 10 30 DEEERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609252627 361292073 /nfs/dbraw/zinc/29/20/73/361292073.db2.gz RKIUJLVKAIUETJ-AWEZNQCLSA-N 1 0 318.396 2.227 10 30 DEEERO CC[NH+](CC)[C@H](CNC(=O)c1ccnc(C#N)c1)CC(C)C ZINC000193249406 201013191 /nfs/dbraw/zinc/01/31/91/201013191.db2.gz MWNDLDWMHZKBCD-INIZCTEOSA-N 1 0 302.422 2.440 10 30 DEEERO COCC[N@@H+]1CCN(c2cc(C#N)c3ccccc3n2)C[C@@H]1C ZINC000610276611 361378339 /nfs/dbraw/zinc/37/83/39/361378339.db2.gz UNMWIUYWECFODH-AWEZNQCLSA-N 1 0 310.401 2.263 10 30 DEEERO CCNC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611394739 361590859 /nfs/dbraw/zinc/59/08/59/361590859.db2.gz ZGHKAUXQIQJCGK-RDJZCZTQSA-N 1 0 312.417 2.329 10 30 DEEERO N#CC1(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CC1 ZINC000611674194 361655228 /nfs/dbraw/zinc/65/52/28/361655228.db2.gz SDSMGZRXVINXIN-OAHLLOKOSA-N 1 0 319.430 2.196 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)c1cncnc1)C(C)C ZINC000629947940 367389364 /nfs/dbraw/zinc/38/93/64/367389364.db2.gz YXIHTCZOVPNZRI-DOTOQJQBSA-N 1 0 316.449 2.395 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nnc(C2CC2)o1)C(C)C ZINC000631325411 368149919 /nfs/dbraw/zinc/14/99/19/368149919.db2.gz YWXBYFJOANZIFM-AWEZNQCLSA-N 1 0 318.421 2.375 10 30 DEEERO COCc1ccccc1NC(=O)c1csc(C#CC[NH3+])c1 ZINC000093976073 193332970 /nfs/dbraw/zinc/33/29/70/193332970.db2.gz WJJLJWCDNILRFY-UHFFFAOYSA-N 1 0 300.383 2.457 10 30 DEEERO [NH3+]CC#Cc1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000094671783 193391342 /nfs/dbraw/zinc/39/13/42/193391342.db2.gz NQEROZMZGHBAJP-UHFFFAOYSA-N 1 0 320.801 2.451 10 30 DEEERO Cc1cc(C(=O)N(CCC#N)CC(C)C)sc1C#CC[NH3+] ZINC000094536608 193378703 /nfs/dbraw/zinc/37/87/03/193378703.db2.gz WQVFUOOQHRHLGT-UHFFFAOYSA-N 1 0 303.431 2.379 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271690523 209129454 /nfs/dbraw/zinc/12/94/54/209129454.db2.gz IOCFWJAXPBMMOC-CYBMUJFWSA-N 1 0 315.373 2.117 10 30 DEEERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(CC)CCC#N)c1 ZINC000042451308 183272033 /nfs/dbraw/zinc/27/20/33/183272033.db2.gz RSSODTGDCKHYDL-ZDUSSCGKSA-N 1 0 309.435 2.281 10 30 DEEERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)N(CCC#N)C(C)C)c1 ZINC000042530101 183281014 /nfs/dbraw/zinc/28/10/14/183281014.db2.gz UPNHNVKPSRPPTF-HNNXBMFYSA-N 1 0 309.435 2.409 10 30 DEEERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CCC#N)C2CC2)cc1 ZINC000042549778 183283733 /nfs/dbraw/zinc/28/37/33/183283733.db2.gz QHIVJCMJTYLKAN-GFCCVEGCSA-N 1 0 307.419 2.034 10 30 DEEERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(CC#N)CC#N ZINC000043090971 183335764 /nfs/dbraw/zinc/33/57/64/183335764.db2.gz BZQXMQNQKDEENB-ZWNOBZJWSA-N 1 0 307.195 2.187 10 30 DEEERO CC[N@H+](CC/C(N)=N/O)Cc1cc(Br)cs1 ZINC000043687478 183381263 /nfs/dbraw/zinc/38/12/63/183381263.db2.gz USMFTQCATJUUFI-UHFFFAOYSA-N 1 0 306.229 2.469 10 30 DEEERO Cc1cc(C#N)ccc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000274007430 211264852 /nfs/dbraw/zinc/26/48/52/211264852.db2.gz MTINEWOPPPZOBI-HIFRSBDPSA-N 1 0 310.357 2.452 10 30 DEEERO C[C@H](NS(=O)(=O)c1ccccc1C#CC[NH3+])c1ccsc1 ZINC000061372090 184169750 /nfs/dbraw/zinc/16/97/50/184169750.db2.gz IHCQCXIMZKHUIW-LBPRGKRZSA-N 1 0 320.439 2.098 10 30 DEEERO C#CCNC(=O)COc1ccc(Cl)cc1C[NH2+]CC(C)C ZINC000062730930 184251167 /nfs/dbraw/zinc/25/11/67/184251167.db2.gz NHXVNGVIJHKJQH-UHFFFAOYSA-N 1 0 308.809 2.214 10 30 DEEERO C=C(C)COc1ccccc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000066214115 184397391 /nfs/dbraw/zinc/39/73/91/184397391.db2.gz YMNNWRIGWFDJET-CQSZACIVSA-N 1 0 304.390 2.349 10 30 DEEERO COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CCC(C)(C)O2)c1 ZINC000262432953 532966299 /nfs/dbraw/zinc/96/62/99/532966299.db2.gz KIERCZOJXGKVDL-GFCCVEGCSA-N 1 0 307.394 2.388 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000158937463 197312051 /nfs/dbraw/zinc/31/20/51/197312051.db2.gz FRFDKXIJPBOXOX-YGRLFVJLSA-N 1 0 307.344 2.295 10 30 DEEERO CC[C@@H]1CN(C(=O)c2cc(C#CC[NH3+])ccc2F)CCS1 ZINC000157982242 197232854 /nfs/dbraw/zinc/23/28/54/197232854.db2.gz DBTRYFKFHZCRIU-CYBMUJFWSA-N 1 0 306.406 2.104 10 30 DEEERO CC[C@H]1CN(C(=O)c2cc(F)ccc2C#CC[NH3+])CCS1 ZINC000157980305 197231695 /nfs/dbraw/zinc/23/16/95/197231695.db2.gz BJRSUNLASAAPCG-AWEZNQCLSA-N 1 0 306.406 2.104 10 30 DEEERO N#Cc1cccc(S(=O)(=O)CC[NH+]2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000156831181 197143992 /nfs/dbraw/zinc/14/39/92/197143992.db2.gz DJTRLFIHKJLDKC-HOTGVXAUSA-N 1 0 318.442 2.454 10 30 DEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)NC[C@H]1CCCCS1 ZINC000156568667 197123798 /nfs/dbraw/zinc/12/37/98/197123798.db2.gz OPSGGKOUTPJKCB-OAHLLOKOSA-N 1 0 302.443 2.321 10 30 DEEERO C=CC[N@@H+]1CCO[C@H]2CN(C(=O)c3sccc3C)CC[C@H]2C1 ZINC000253598576 257105427 /nfs/dbraw/zinc/10/54/27/257105427.db2.gz PEHRKZBVJXSKJG-GJZGRUSLSA-N 1 0 320.458 2.405 10 30 DEEERO C=C(C)COCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000127885412 195918321 /nfs/dbraw/zinc/91/83/21/195918321.db2.gz HHYFHZVILWXAEJ-MRXNPFEDSA-N 1 0 305.422 2.181 10 30 DEEERO CN(C(=O)c1ccc(C#N)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309761674 145350682 /nfs/dbraw/zinc/35/06/82/145350682.db2.gz DWCRZVNRWMWGMP-HNNXBMFYSA-N 1 0 309.369 2.498 10 30 DEEERO C=CC1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000111256315 401704306 /nfs/dbraw/zinc/70/43/06/401704306.db2.gz DAHGNCSLWLDQKE-AWEZNQCLSA-N 1 0 305.374 2.053 10 30 DEEERO C=CCC[C@@H](C[NH+]1CCSCC1)Oc1ccc(N(C)C)nn1 ZINC000072469521 401709794 /nfs/dbraw/zinc/70/97/94/401709794.db2.gz RACYUBRHMGZUHD-AWEZNQCLSA-N 1 0 322.478 2.305 10 30 DEEERO C=CCNC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000111432636 401715560 /nfs/dbraw/zinc/71/55/60/401715560.db2.gz DXLBLGLKJCBAAH-LBPRGKRZSA-N 1 0 309.360 2.414 10 30 DEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000076734409 401799179 /nfs/dbraw/zinc/79/91/79/401799179.db2.gz QTASABHCAWEYGJ-LSDHHAIUSA-N 1 0 318.417 2.229 10 30 DEEERO C=CCNC(=O)[C@H](C)N1CCc2cccc(Br)c2C1 ZINC000118411094 401897366 /nfs/dbraw/zinc/89/73/66/401897366.db2.gz LBFBSBVKNNSJFG-NSHDSACASA-N 1 0 323.234 2.498 10 30 DEEERO C#CCOc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151278357 402027423 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C[C@@]1(C(N)=O)CCCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000185935779 402390664 /nfs/dbraw/zinc/39/06/64/402390664.db2.gz VBDISYLGKGAZLT-KRWDZBQOSA-N 1 0 301.390 2.057 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000185946314 402392110 /nfs/dbraw/zinc/39/21/10/402392110.db2.gz ZIQANRJWPMZMCU-HRBLRVMOSA-N 1 0 319.493 2.358 10 30 DEEERO C[C@@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000188300223 402518935 /nfs/dbraw/zinc/51/89/35/402518935.db2.gz RAYLKAJVWIJTLF-CJNGLKHVSA-N 1 0 309.413 2.331 10 30 DEEERO N#Cc1ccc(NC(=O)CCN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000246257671 402521465 /nfs/dbraw/zinc/52/14/65/402521465.db2.gz XVUIRMPTCBOIKY-KRWDZBQOSA-N 1 0 312.417 2.057 10 30 DEEERO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000248055830 402581521 /nfs/dbraw/zinc/58/15/21/402581521.db2.gz XHTGQRQAUKPYGI-KURKYZTESA-N 1 0 300.402 2.219 10 30 DEEERO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000171551141 402593478 /nfs/dbraw/zinc/59/34/78/402593478.db2.gz CHURSKMDRQBOIX-QGZVFWFLSA-N 1 0 307.401 2.449 10 30 DEEERO C[C@@H](NC(=O)c1cc(C#N)cn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180864646 402628172 /nfs/dbraw/zinc/62/81/72/402628172.db2.gz FFLGSHZQVCZYSR-HIFRSBDPSA-N 1 0 314.433 2.280 10 30 DEEERO CO[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CC[C@H]1C ZINC000252038761 402652379 /nfs/dbraw/zinc/65/23/79/402652379.db2.gz ZAEXKQCTLKNBHI-DGCLKSJQSA-N 1 0 307.419 2.305 10 30 DEEERO C[C@@H](C(=O)NCCOc1ccc(C#N)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000174194713 402731054 /nfs/dbraw/zinc/73/10/54/402731054.db2.gz IPBSXETXULZADE-ZNMIVQPWSA-N 1 0 315.417 2.315 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000184263879 402831459 /nfs/dbraw/zinc/83/14/59/402831459.db2.gz JCQGUPDHJPDEJP-LBPRGKRZSA-N 1 0 300.196 2.490 10 30 DEEERO C=CCc1cc(C[NH2+][C@](C)(CCO)COC)cc(OC)c1O ZINC000175852828 402838066 /nfs/dbraw/zinc/83/80/66/402838066.db2.gz UAKFAVDANGDCHY-QGZVFWFLSA-N 1 0 309.406 2.006 10 30 DEEERO C=CCN1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2OC)C1=O ZINC000281245023 403061691 /nfs/dbraw/zinc/06/16/91/403061691.db2.gz PWWVJEBOTPNFNQ-IUODEOHRSA-N 1 0 304.390 2.141 10 30 DEEERO C=CCn1c(-c2ccccn2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000282625223 403157346 /nfs/dbraw/zinc/15/73/46/403157346.db2.gz OMUHQSHHPUMJFQ-OAHLLOKOSA-N 1 0 324.432 2.201 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000343212456 403497113 /nfs/dbraw/zinc/49/71/13/403497113.db2.gz OGYJWZFUEOZUCT-OAHLLOKOSA-N 1 0 323.481 2.038 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000288259854 403743988 /nfs/dbraw/zinc/74/39/88/403743988.db2.gz FSNXKSVFILNPAK-APWZRJJASA-N 1 0 308.425 2.428 10 30 DEEERO C=C(C)CN(CC)C(=O)CN1CCC2(C1)Oc1ccccc1O2 ZINC000289055773 403818905 /nfs/dbraw/zinc/81/89/05/403818905.db2.gz QWCQVOKVHIWYAY-UHFFFAOYSA-N 1 0 316.401 2.284 10 30 DEEERO C=CCC[C@@H](C)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000348686755 404092319 /nfs/dbraw/zinc/09/23/19/404092319.db2.gz SSFUBEHVIPZZGR-CABCVRRESA-N 1 0 308.447 2.394 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1C ZINC000328609554 404113648 /nfs/dbraw/zinc/11/36/48/404113648.db2.gz MWIYTTANUGTXTJ-MGPQQGTHSA-N 1 0 310.442 2.118 10 30 DEEERO CCc1nn(C)cc1C[N@@H+]1CC[C@@H](n2ccc(NC(C)=O)n2)C1 ZINC000328620393 404117254 /nfs/dbraw/zinc/11/72/54/404117254.db2.gz GYPGNFWQMKRJSU-CQSZACIVSA-N 1 0 316.409 2.234 10 30 DEEERO CC(C)c1noc(OCC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000328665787 404126700 /nfs/dbraw/zinc/12/67/00/404126700.db2.gz ZMVGXHMKNWIWAS-UHFFFAOYSA-N 1 0 308.382 2.155 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](CO)c2sccc2C)CC1 ZINC000352160917 404183842 /nfs/dbraw/zinc/18/38/42/404183842.db2.gz QXPPYCJAZDYTHG-AWEZNQCLSA-N 1 0 323.462 2.040 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)NC1CCC1 ZINC000329142501 404243100 /nfs/dbraw/zinc/24/31/00/404243100.db2.gz UZXAEUOPCJJTDQ-XJKSGUPXSA-N 1 0 319.453 2.201 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364056439 404302815 /nfs/dbraw/zinc/30/28/15/404302815.db2.gz NFGTYKIEJKPFOS-RDJZCZTQSA-N 1 0 307.482 2.216 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)CN2c3ccccc3CCC2=O)C1 ZINC000329356868 404312742 /nfs/dbraw/zinc/31/27/42/404312742.db2.gz HEROGFHANZHNDP-HNNXBMFYSA-N 1 0 315.417 2.407 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000355784186 404365929 /nfs/dbraw/zinc/36/59/29/404365929.db2.gz OLIXQKGPPFSPDG-FUHWJXTLSA-N 1 0 306.450 2.468 10 30 DEEERO CC(=O)N[C@@H](CC(=O)N1CC[NH+]2CCC1CC2)c1cccs1 ZINC000329528629 404366506 /nfs/dbraw/zinc/36/65/06/404366506.db2.gz UROKYODAKIQEMM-AWEZNQCLSA-N 1 0 321.446 2.462 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](O)C(C)(C)C1 ZINC000329536469 404368685 /nfs/dbraw/zinc/36/86/85/404368685.db2.gz LWHDGPPGCOCBBC-HUUCEWRRSA-N 1 0 311.470 2.114 10 30 DEEERO C=C[C@@](C)(O)CC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000355928433 404378020 /nfs/dbraw/zinc/37/80/20/404378020.db2.gz ATDCGYVLNSXYPK-RBUKOAKNSA-N 1 0 316.445 2.484 10 30 DEEERO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)CC[N@@H+]1C ZINC000329692168 404424702 /nfs/dbraw/zinc/42/47/02/404424702.db2.gz GUAWYJVNTIVILI-SOUVJXGZSA-N 1 0 319.453 2.076 10 30 DEEERO C=CCOc1cccc(CN2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000356309059 404439132 /nfs/dbraw/zinc/43/91/32/404439132.db2.gz SSFZVCVFRUKKNW-QGZVFWFLSA-N 1 0 301.386 2.431 10 30 DEEERO CC[C@@H]1CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000330211251 404587818 /nfs/dbraw/zinc/58/78/18/404587818.db2.gz IZOBPXJRJIPGEE-SQWLQELKSA-N 1 0 319.453 2.201 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](O)C12CCCC2 ZINC000330333224 404629287 /nfs/dbraw/zinc/62/92/87/404629287.db2.gz PPQUMOFQYPQKDM-CVEARBPZSA-N 1 0 323.481 2.400 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)C[NH+](C)C ZINC000358524037 404766243 /nfs/dbraw/zinc/76/62/43/404766243.db2.gz MDOFOTXJCNYVRP-ZDUSSCGKSA-N 1 0 320.393 2.243 10 30 DEEERO CC1CC[NH+](CCCNC(=O)N2CCC(C)(C#N)CC2)CC1 ZINC000357037958 404726010 /nfs/dbraw/zinc/72/60/10/404726010.db2.gz KYWPOLVQOSSIDW-UHFFFAOYSA-N 1 0 306.454 2.444 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)N(CC[NH3+])CCO ZINC000415575140 404888412 /nfs/dbraw/zinc/88/84/12/404888412.db2.gz DXQLGWGRLJVVEI-UHFFFAOYSA-N 1 0 305.422 2.323 10 30 DEEERO Cc1ccc(C(=O)N2CCN[C@@H](c3cccnc3)C2)cc1C#N ZINC000367105716 404933502 /nfs/dbraw/zinc/93/35/02/404933502.db2.gz GJGWDZCIJGSXND-QGZVFWFLSA-N 1 0 306.369 2.048 10 30 DEEERO C#Cc1ccc(C[N@H+]2C[C@@H](OC)C[C@@H]2CC(=O)OCC)cc1 ZINC000367297875 405002100 /nfs/dbraw/zinc/00/21/00/405002100.db2.gz AKDLACZAKJGLQV-SJORKVTESA-N 1 0 301.386 2.210 10 30 DEEERO C=CCC[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)C1CC1 ZINC000353970400 404978013 /nfs/dbraw/zinc/97/80/13/404978013.db2.gz DJOBBIHLDHONLG-CABCVRRESA-N 1 0 300.468 2.135 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000424059467 404988830 /nfs/dbraw/zinc/98/88/30/404988830.db2.gz FTEMEXKHCSDTLQ-IHRRRGAJSA-N 1 0 323.462 2.241 10 30 DEEERO C#CCCC[NH2+][C@@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000367596008 405098732 /nfs/dbraw/zinc/09/87/32/405098732.db2.gz OQRDOXPYGHFGGA-HOTGVXAUSA-N 1 0 322.449 2.404 10 30 DEEERO N#Cc1cncnc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000391073796 405048548 /nfs/dbraw/zinc/04/85/48/405048548.db2.gz QNGZEOAGNMCIGI-AYHJJNSGSA-N 1 0 319.412 2.378 10 30 DEEERO C=CCC1(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCOCC1 ZINC000424692358 405150580 /nfs/dbraw/zinc/15/05/80/405150580.db2.gz WNSCLFCBBTZOIK-INIZCTEOSA-N 1 0 306.450 2.304 10 30 DEEERO C=CCC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCOCC1 ZINC000424738331 405163952 /nfs/dbraw/zinc/16/39/52/405163952.db2.gz OWYFORXNEYMZKH-HOTGVXAUSA-N 1 0 306.450 2.302 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(=O)OCC)cc1 ZINC000425354286 405278432 /nfs/dbraw/zinc/27/84/32/405278432.db2.gz MYJHRAIUBQUTQN-RDJZCZTQSA-N 1 0 319.401 2.309 10 30 DEEERO C=CCCC[N@@H+](C)C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000419208641 405229162 /nfs/dbraw/zinc/22/91/62/405229162.db2.gz RPEXTLJPFZGARE-OAHLLOKOSA-N 1 0 318.417 2.209 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000438849038 405256020 /nfs/dbraw/zinc/25/60/20/405256020.db2.gz JDLNUSASPJHGEF-JKSUJKDBSA-N 1 0 321.465 2.095 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000425860552 405324818 /nfs/dbraw/zinc/32/48/18/405324818.db2.gz UBSQLDQGKHYATQ-JYJNAYRXSA-N 1 0 309.454 2.093 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NC[C@@]2(O)CCCC(C)(C)C2)CC1 ZINC000446589697 405385606 /nfs/dbraw/zinc/38/56/06/405385606.db2.gz BIIMXUDECYFVSV-GOSISDBHSA-N 1 0 323.481 2.267 10 30 DEEERO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(C#N)n2C)C1 ZINC000448711766 405440084 /nfs/dbraw/zinc/44/00/84/405440084.db2.gz YZUQSZTYAWJPOU-AWEZNQCLSA-N 1 0 302.422 2.139 10 30 DEEERO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C#N)n1C)CC(C)C ZINC000448970043 405477256 /nfs/dbraw/zinc/47/72/56/405477256.db2.gz KVNPETANPHYPRD-HNNXBMFYSA-N 1 0 304.438 2.383 10 30 DEEERO CC[C@H](C)[NH+]1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000458733754 405564116 /nfs/dbraw/zinc/56/41/16/405564116.db2.gz MEEOFLBDDLIWNR-FHERZECASA-N 1 0 306.454 2.442 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000449398347 405545398 /nfs/dbraw/zinc/54/53/98/405545398.db2.gz XYEKZGQKWCABQM-KRWDZBQOSA-N 1 0 304.434 2.188 10 30 DEEERO C=CCOc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000638655117 405598206 /nfs/dbraw/zinc/59/82/06/405598206.db2.gz UWYVPZWSZIYBPG-TZMCWYRMSA-N 1 0 304.390 2.130 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639043803 405839935 /nfs/dbraw/zinc/83/99/35/405839935.db2.gz AFDGSYNYGRWFIW-JTQLQIEISA-N 1 0 303.328 2.265 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000564842124 406066317 /nfs/dbraw/zinc/06/63/17/406066317.db2.gz YTJKBHDJSAVUQE-RCBQFDQVSA-N 1 0 303.406 2.097 10 30 DEEERO C=CCOc1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1OC ZINC000517024445 406122107 /nfs/dbraw/zinc/12/21/07/406122107.db2.gz XPVRAWZORANWNE-UHFFFAOYSA-N 1 0 316.401 2.228 10 30 DEEERO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000639642697 406184870 /nfs/dbraw/zinc/18/48/70/406184870.db2.gz VGJHKCADPADXSE-YJBOKZPZSA-N 1 0 323.433 2.062 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000632640442 406209212 /nfs/dbraw/zinc/20/92/12/406209212.db2.gz OXUNWFMZEVQJQZ-HNNXBMFYSA-N 1 0 323.481 2.036 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000568531720 406219277 /nfs/dbraw/zinc/21/92/77/406219277.db2.gz MATOYGDEEPXWMB-OAHLLOKOSA-N 1 0 323.481 2.038 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000519706352 406239711 /nfs/dbraw/zinc/23/97/11/406239711.db2.gz LVVJRCMDNPFQHD-JKSUJKDBSA-N 1 0 323.481 2.038 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000633078933 406373318 /nfs/dbraw/zinc/37/33/18/406373318.db2.gz QBKQZCHUHVWLQB-INIZCTEOSA-N 1 0 324.513 2.162 10 30 DEEERO C=CC[C@]1(C(=O)N2CCO[C@@H](c3cccs3)C2)CCC[NH2+]1 ZINC000637961418 406497471 /nfs/dbraw/zinc/49/74/71/406497471.db2.gz YZHRNOANWOYJQD-CZUORRHYSA-N 1 0 306.431 2.346 10 30 DEEERO C=CC[C@@]1(C(=O)N2CCO[C@H](c3cccs3)C2)CCC[NH2+]1 ZINC000637961416 406497800 /nfs/dbraw/zinc/49/78/00/406497800.db2.gz YZHRNOANWOYJQD-BBRMVZONSA-N 1 0 306.431 2.346 10 30 DEEERO C=CCCCCCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000573104560 406769406 /nfs/dbraw/zinc/76/94/06/406769406.db2.gz BOQZEEZNKICCBG-HNNXBMFYSA-N 1 0 311.470 2.219 10 30 DEEERO C=CCNc1ncc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)s1 ZINC000129650297 196065086 /nfs/dbraw/zinc/06/50/86/196065086.db2.gz OCLJPVQWGJUBRK-QWHCGFSZSA-N 1 0 320.462 2.440 10 30 DEEERO C#CCN(CCC)S(=O)(=O)c1cccc(C[NH2+]CC)c1C ZINC000132270191 196240514 /nfs/dbraw/zinc/24/05/14/196240514.db2.gz RRAKWQYQYTVWFK-UHFFFAOYSA-N 1 0 308.447 2.138 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000262861081 225286824 /nfs/dbraw/zinc/28/68/24/225286824.db2.gz ZIXZLCYHNKLIMA-COPLHBTASA-N 1 0 311.788 2.418 10 30 DEEERO COc1ccc([C@H]2C[C@H](NC(=[NH2+])NC[C@H]3CCCO3)C2)cc1F ZINC000261874006 225258196 /nfs/dbraw/zinc/25/81/96/225258196.db2.gz SSDFPSOPPRHYPQ-MGPQQGTHSA-N 1 0 321.396 2.164 10 30 DEEERO C=CCNC(=O)c1ccc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)nc1 ZINC000352964916 425049962 /nfs/dbraw/zinc/04/99/62/425049962.db2.gz AHWXKMSGPBFSSS-GJZGRUSLSA-N 1 0 316.449 2.672 10 30 DEEERO C[NH+]=C(NCc1cccc(N(C)C)n1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000156070589 273482108 /nfs/dbraw/zinc/48/21/08/273482108.db2.gz QIRUVOWRVNCZHA-GASCZTMLSA-N 1 0 315.465 2.345 10 30 DEEERO C[NH+]=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)NC1CCOCC1 ZINC000128226162 273482465 /nfs/dbraw/zinc/48/24/65/273482465.db2.gz FPEWAUWWXIKJAP-BXUZGUMPSA-N 1 0 309.360 2.165 10 30 DEEERO C[NH+]=C(NC[C@@H](O)C(F)(F)F)N1CCC2(C1)CCCCC2 ZINC000262816493 275733166 /nfs/dbraw/zinc/73/31/66/275733166.db2.gz WXBFJUBCDJVPCF-LLVKDONJSA-N 1 0 307.360 2.141 10 30 DEEERO C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261831815 276842603 /nfs/dbraw/zinc/84/26/03/276842603.db2.gz VMJCIMQJDHIJLU-QTCYRWPVSA-N 1 0 313.511 2.231 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000248599737 276865947 /nfs/dbraw/zinc/86/59/47/276865947.db2.gz BUWUMKSZDOSCQQ-USXIJHARSA-N 1 0 308.466 2.473 10 30 DEEERO CC(C)C[C@H](CCO)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000174130718 325738643 /nfs/dbraw/zinc/73/86/43/325738643.db2.gz CLGJMTLIXQOERL-AWEZNQCLSA-N 1 0 300.406 2.340 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000572643252 332743605 /nfs/dbraw/zinc/74/36/05/332743605.db2.gz PIPZJOPNNZESOK-OLZOCXBDSA-N 1 0 303.324 2.135 10 30 DEEERO C=C(C)CN(Cc1ccccc1)C(=O)CN1CC[NH+](CC)CC1 ZINC000352192178 336200586 /nfs/dbraw/zinc/20/05/86/336200586.db2.gz YQJXFJBLBHOBMP-UHFFFAOYSA-N 1 0 315.461 2.229 10 30 DEEERO C=CCNC(=O)Nc1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cc1 ZINC000582846198 337207032 /nfs/dbraw/zinc/20/70/32/337207032.db2.gz CUSFMSQLVLADRE-INIZCTEOSA-N 1 0 302.378 2.075 10 30 DEEERO C#CCN(C)CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400338788 339243976 /nfs/dbraw/zinc/24/39/76/339243976.db2.gz GDBVUDIOVIJVHU-CVEARBPZSA-N 1 0 323.481 2.177 10 30 DEEERO C=CCN1CC[C@H]([NH2+]C(C)(C)c2ccc(OC)c(F)c2)C1=O ZINC000528680607 340729333 /nfs/dbraw/zinc/72/93/33/340729333.db2.gz UAJIVTOIPBPOGO-AWEZNQCLSA-N 1 0 306.381 2.446 10 30 DEEERO C=CCCCCC[N@@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131854016 341112735 /nfs/dbraw/zinc/11/27/35/341112735.db2.gz QSDBJUYEPGILDU-HNNXBMFYSA-N 1 0 302.484 2.336 10 30 DEEERO CCN(CCC#N)C(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000075831521 341185007 /nfs/dbraw/zinc/18/50/07/341185007.db2.gz RJYZYJNUQGPMLB-MRXNPFEDSA-N 1 0 307.438 2.172 10 30 DEEERO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000247451192 341365046 /nfs/dbraw/zinc/36/50/46/341365046.db2.gz HNEJQLJCLLMSKL-AEFFLSMTSA-N 1 0 321.465 2.464 10 30 DEEERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(F)c3C#N)[C@@H]2C1 ZINC000577809033 341938121 /nfs/dbraw/zinc/93/81/21/341938121.db2.gz RKMRINSOJLAECX-YXJHDRRASA-N 1 0 315.392 2.434 10 30 DEEERO C[C@H]1CN(C(=[NH2+])N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CCO1 ZINC000262813591 533787495 /nfs/dbraw/zinc/78/74/95/533787495.db2.gz OMNXGXRASMJLFT-WBIUFABUSA-N 1 0 309.360 2.246 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCC2CCC(C(F)(F)F)CC2)CCO1 ZINC000262436936 533787958 /nfs/dbraw/zinc/78/79/58/533787958.db2.gz GNQDBHWOJQRLHJ-UNXYVOJBSA-N 1 0 307.360 2.391 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCCc2csc(C(C)(C)C)n2)CCO1 ZINC000262421958 533788186 /nfs/dbraw/zinc/78/81/86/533788186.db2.gz BKBRHCBNQQNJOO-NSHDSACASA-N 1 0 310.467 2.019 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCc2nc3cc(Cl)ccc3s2)CCO1 ZINC000262443780 533788822 /nfs/dbraw/zinc/78/88/22/533788822.db2.gz IGYUMBRXSJMXKB-VIFPVBQESA-N 1 0 324.837 2.485 10 30 DEEERO COc1ccc(NC(=[NH2+])NC[C@H]2CC23CCOCC3)cc1OC ZINC000262775571 533991258 /nfs/dbraw/zinc/99/12/58/533991258.db2.gz IAMNVRJUHZJUOZ-GFCCVEGCSA-N 1 0 319.405 2.247 10 30 DEEERO C[C@H]1C[NH+]=C(NCc2c(F)cc(Br)cc2F)N1 ZINC000262667036 533992079 /nfs/dbraw/zinc/99/20/79/533992079.db2.gz PDAHZXMTPDUBLG-LURJTMIESA-N 1 0 304.138 2.165 10 30 DEEERO C=CCOC[C@H](O)C[N@@H+](Cc1cccc(OC)c1OC)C1CC1 ZINC000036103710 518993333 /nfs/dbraw/zinc/99/33/33/518993333.db2.gz LZQDXNJYJPHIPV-MRXNPFEDSA-N 1 0 321.417 2.232 10 30 DEEERO C[NH+]=C(NCc1ccnn1C)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262234966 526387826 /nfs/dbraw/zinc/38/78/26/526387826.db2.gz MWDLJUNXVHUBDR-SOUVJXGZSA-N 1 0 303.454 2.444 10 30 DEEERO C=CCN1CC[C@@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1=O ZINC000337193586 526485611 /nfs/dbraw/zinc/48/56/11/526485611.db2.gz VOGKBCFGNSCSPU-HUUCEWRRSA-N 1 0 303.362 2.422 10 30 DEEERO CC(=O)N1CCC(NC(=[NH2+])Nc2ccc(OC(C)C)cc2)CC1 ZINC000262885630 526540822 /nfs/dbraw/zinc/54/08/22/526540822.db2.gz WKKLAGMMRFQXAR-UHFFFAOYSA-N 1 0 318.421 2.021 10 30 DEEERO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418723717 526570826 /nfs/dbraw/zinc/57/08/26/526570826.db2.gz MXSUBQSRZUIHKW-KGLIPLIRSA-N 1 0 307.442 2.287 10 30 DEEERO C=C(C)CNC(=[NH2+])NCc1nc(C)c(Br)s1 ZINC000263119465 526577301 /nfs/dbraw/zinc/57/73/01/526577301.db2.gz LUMNIOBPLMMSJH-UHFFFAOYSA-N 1 0 303.229 2.194 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2cnn(C)c2)CC1 ZINC000180618348 526583357 /nfs/dbraw/zinc/58/33/57/526583357.db2.gz AKXGCKYNPGGVJP-AWEZNQCLSA-N 1 0 319.453 2.163 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000262037217 526951188 /nfs/dbraw/zinc/95/11/88/526951188.db2.gz YBYFJMZCTKTEJE-KZNAEPCWSA-N 1 0 316.445 2.498 10 30 DEEERO C=CCCCCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000410735595 527116673 /nfs/dbraw/zinc/11/66/73/527116673.db2.gz YPNOTXLWDYZUIW-JKSUJKDBSA-N 1 0 323.481 2.132 10 30 DEEERO C=CC[C@H](CO)NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418486307 527199925 /nfs/dbraw/zinc/19/99/25/527199925.db2.gz IUBFBBAJAZKOLZ-IAGOWNOFSA-N 1 0 313.401 2.076 10 30 DEEERO C#Cc1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000377687413 527434323 /nfs/dbraw/zinc/43/43/23/527434323.db2.gz AMFFVNNHOXGMPG-WCRBZPEASA-N 1 0 323.484 2.411 10 30 DEEERO C#Cc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000297535879 527435707 /nfs/dbraw/zinc/43/57/07/527435707.db2.gz ILFRVVBFLQMASN-JWTNVVGKSA-N 1 0 311.429 2.435 10 30 DEEERO C=C[C@](C)(O)CC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000346024997 527639936 /nfs/dbraw/zinc/63/99/36/527639936.db2.gz ADZPGHNLDQGVIH-SFHVURJKSA-N 1 0 317.433 2.094 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])Nc2cccc(C)c2)[C@H]1n1cccn1 ZINC000263183013 527791209 /nfs/dbraw/zinc/79/12/09/527791209.db2.gz ULWPAPAWLJRJAJ-BZUAXINKSA-N 1 0 313.405 2.337 10 30 DEEERO CC[NH+]=C(NCC1(O)CCCC1)N1CCC[C@@]2(CCCOC2)C1 ZINC000262819420 528803266 /nfs/dbraw/zinc/80/32/66/528803266.db2.gz XTUQSSCXDPSLQG-QGZVFWFLSA-N 1 0 323.481 2.150 10 30 DEEERO CC[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N[C@@H]1C[C@@H]1C ZINC000083880092 633796148 /nfs/dbraw/zinc/79/61/48/633796148.db2.gz YCFJJDYGJHJZRT-KCQAQPDRSA-N 1 0 320.506 2.458 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)CN1CCCCCCC1=O ZINC000178458604 634180174 /nfs/dbraw/zinc/18/01/74/634180174.db2.gz KYXANPRPBSHKOV-INIZCTEOSA-N 1 0 322.449 2.056 10 30 DEEERO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746721216 638372401 /nfs/dbraw/zinc/37/24/01/638372401.db2.gz JKLVGTFJROBMQS-ZDUSSCGKSA-N 1 0 318.421 2.096 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)OC(C)(C)C ZINC000320693223 639526856 /nfs/dbraw/zinc/52/68/56/639526856.db2.gz WTQWRAQTVHPYBV-RWHKXBQASA-N 1 0 322.449 2.157 10 30 DEEERO COC(=O)C(C)(C)[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccccc1 ZINC000801938308 645465963 /nfs/dbraw/zinc/46/59/63/645465963.db2.gz DIJUCQMXHVUDAP-ZFWWWQNUSA-N 1 0 304.390 2.445 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](C)CC1 ZINC000806739261 645866153 /nfs/dbraw/zinc/86/61/53/645866153.db2.gz BXUDZVMRNRGQMZ-GOSISDBHSA-N 1 0 313.445 2.262 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)c2cc(Cl)nc(N(C)C)c2)CC1 ZINC000733151979 647893625 /nfs/dbraw/zinc/89/36/25/647893625.db2.gz OJZHXMUSZOHFEL-UHFFFAOYSA-N 1 0 322.840 2.181 10 30 DEEERO C#C[C@H](OC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000180097639 648458310 /nfs/dbraw/zinc/45/83/10/648458310.db2.gz QYWLIVNDTZUXLL-SFHVURJKSA-N 1 0 312.413 2.397 10 30 DEEERO C=CCCC[N@@H+](C)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000182325200 648875067 /nfs/dbraw/zinc/87/50/67/648875067.db2.gz QQPWKABQKOQMAM-MRXNPFEDSA-N 1 0 311.447 2.196 10 30 DEEERO CCOC(=O)c1ccc(CNC(=[NH2+])NCCc2cccs2)o1 ZINC000304801972 685261971 /nfs/dbraw/zinc/26/19/71/685261971.db2.gz ZUJGYKUKUJFUKT-UHFFFAOYSA-N 1 0 321.402 2.165 10 30 DEEERO Cc1nn(C)c(C)c1CCCNC(=[NH2+])NCCc1cccs1 ZINC000305779448 685299738 /nfs/dbraw/zinc/29/97/38/685299738.db2.gz RRVFIHHTDMXBIR-UHFFFAOYSA-N 1 0 319.478 2.178 10 30 DEEERO C#CCCOc1ccc(CN2CC[N@@H+](CCOC)[C@@H](C)C2)cc1 ZINC000120824961 684101473 /nfs/dbraw/zinc/10/14/73/684101473.db2.gz YYESBMNHHNBDFX-KRWDZBQOSA-N 1 0 316.445 2.241 10 30 DEEERO CN(C)[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccco1 ZINC000123152897 684122755 /nfs/dbraw/zinc/12/27/55/684122755.db2.gz KJPFARYOUKZXLO-HNNXBMFYSA-N 1 0 309.373 2.191 10 30 DEEERO CN(C)[C@H](CNC(=[NH2+])NC1CCCCC1)Cc1ccccc1 ZINC000303779374 685234050 /nfs/dbraw/zinc/23/40/50/685234050.db2.gz KLSQLWWIYMSFFB-KRWDZBQOSA-N 1 0 302.466 2.396 10 30 DEEERO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N+]12CCN(CC1)CC2 ZINC000015454114 717111659 /nfs/dbraw/zinc/11/16/59/717111659.db2.gz MFGFXVSWNGPLKK-ZDUSSCGKSA-O 1 0 308.833 2.121 10 30 DEEERO CC(C)c1ccccc1NC(=O)[C@H](C)[N+]12CCN(CC1)CC2 ZINC000015454117 717111859 /nfs/dbraw/zinc/11/18/59/717111859.db2.gz IQDMYFXINYELKW-HNNXBMFYSA-O 1 0 302.442 2.283 10 30 DEEERO C[C@@H](C(=O)Nc1ccccc1C(C)(C)C)[N+]12CCN(CC1)CC2 ZINC000029226471 717117366 /nfs/dbraw/zinc/11/73/66/717117366.db2.gz WZLRUZFMCYSGJX-HNNXBMFYSA-O 1 0 316.469 2.457 10 30 DEEERO O[C@@H](C[NH2+]CCOC(F)(F)C(F)(F)F)CC(F)(F)F ZINC000720263168 1089548361 /nfs/dbraw/zinc/54/83/61/1089548361.db2.gz ZSIRLZVLVBURCP-RXMQYKEDSA-N 1 0 305.165 2.061 10 30 DEEERO C#CCC[C@@H](O)C[NH2+]Cc1cccc(Br)c1F ZINC000717862862 1091339864 /nfs/dbraw/zinc/33/98/64/1091339864.db2.gz YIUOICNSTBRFMS-LLVKDONJSA-N 1 0 300.171 2.452 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000076734882 185036753 /nfs/dbraw/zinc/03/67/53/185036753.db2.gz RHDVSXZHISLURC-UHFFFAOYSA-N 1 0 321.446 2.172 10 30 DEEERO N#Cc1csc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cccnn2)c1 ZINC000328654744 231288908 /nfs/dbraw/zinc/28/89/08/231288908.db2.gz XTSNDZWDKMADIN-STQMWFEESA-N 1 0 317.393 2.116 10 30 DEEERO CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(C#CC[NH3+])cc1 ZINC000088310906 185245352 /nfs/dbraw/zinc/24/53/52/185245352.db2.gz UPRVXWOYCCSVBY-ZIAGYGMSSA-N 1 0 308.447 2.100 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)s1 ZINC000088436899 185250469 /nfs/dbraw/zinc/25/04/69/185250469.db2.gz DMPMYLWJQLJZSY-JTQLQIEISA-N 1 0 316.348 2.473 10 30 DEEERO C=CCN(CC)S(=O)(=O)c1cc(Cl)cc(C[NH3+])c1F ZINC000166062344 197687548 /nfs/dbraw/zinc/68/75/48/197687548.db2.gz FMRBYZGYCDGRPG-UHFFFAOYSA-N 1 0 306.790 2.134 10 30 DEEERO C[N@@H+]1CCCC[C@@H]1CN1CCN(CC#Cc2ccccc2)CC1 ZINC000192014494 530052694 /nfs/dbraw/zinc/05/26/94/530052694.db2.gz WKRWJXOBAGLLTJ-HXUWFJFHSA-N 1 0 311.473 2.140 10 30 DEEERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cccc(C#N)c1F ZINC000615634058 362665124 /nfs/dbraw/zinc/66/51/24/362665124.db2.gz VAFLUBUNODIUFX-NOLJZWGESA-N 1 0 302.349 2.471 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000625525063 365814669 /nfs/dbraw/zinc/81/46/69/365814669.db2.gz QGYXDODJNDCWJO-GJZGRUSLSA-N 1 0 323.481 2.036 10 30 DEEERO C=CCN(C1CC1)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000139262761 186020930 /nfs/dbraw/zinc/02/09/30/186020930.db2.gz FYFMPOYHWLIBLZ-UHFFFAOYSA-N 1 0 316.373 2.023 10 30 DEEERO C=CCN(C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@H](C)COC ZINC000625939394 365964813 /nfs/dbraw/zinc/96/48/13/365964813.db2.gz XDAIYELKUSMHON-CYBMUJFWSA-N 1 0 319.405 2.223 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000078805289 355278729 /nfs/dbraw/zinc/27/87/29/355278729.db2.gz PHRMGRNACWXSOU-STQMWFEESA-N 1 0 319.405 2.136 10 30 DEEERO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000595602744 358497677 /nfs/dbraw/zinc/49/76/77/358497677.db2.gz KBJOQMUTDQEONJ-JKSUJKDBSA-N 1 0 302.422 2.367 10 30 DEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000595603861 358498311 /nfs/dbraw/zinc/49/83/11/358498311.db2.gz PIZPXWRCQZDULZ-GHMZBOCLSA-N 1 0 321.343 2.099 10 30 DEEERO C[NH+](C)CCNC(=O)N1CCC(C#N)(Cc2ccccc2)CC1 ZINC000219247917 356273321 /nfs/dbraw/zinc/27/33/21/356273321.db2.gz KCUVBEGTDDPIQH-UHFFFAOYSA-N 1 0 314.433 2.106 10 30 DEEERO C[N@H+](CCOc1ccccc1C#N)C[C@H]1CCc2nccn2C1 ZINC000328621106 356462076 /nfs/dbraw/zinc/46/20/76/356462076.db2.gz AFZKINYMYQVVPY-OAHLLOKOSA-N 1 0 310.401 2.328 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262686437 283261343 /nfs/dbraw/zinc/26/13/43/283261343.db2.gz ASXJOKUNANTUMV-WOPDTQHZSA-N 1 0 307.360 2.438 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595272947 358410083 /nfs/dbraw/zinc/41/00/83/358410083.db2.gz ICIURZMRWWHWOV-UHFFFAOYSA-N 1 0 310.401 2.008 10 30 DEEERO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2cc(C#N)ccn2)C1 ZINC000596549886 358711573 /nfs/dbraw/zinc/71/15/73/358711573.db2.gz BFSMZSDXFWOJRH-SFHVURJKSA-N 1 0 321.428 2.181 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000599526713 359516516 /nfs/dbraw/zinc/51/65/16/359516516.db2.gz PWJRVTXOTFXHSA-ZBFHGGJFSA-N 1 0 319.401 2.111 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)C1 ZINC000599526825 359517589 /nfs/dbraw/zinc/51/75/89/359517589.db2.gz UNKYKNSAWWICSZ-ZDUSSCGKSA-N 1 0 317.389 2.241 10 30 DEEERO N#Cc1cc(Br)ccc1NCC1([NH3+])CCOCC1 ZINC000600953362 359870269 /nfs/dbraw/zinc/87/02/69/359870269.db2.gz ZIKIDGFAEFYXGV-UHFFFAOYSA-N 1 0 310.195 2.241 10 30 DEEERO C=C(C)C[C@@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)C(=O)OC ZINC000602601755 360452167 /nfs/dbraw/zinc/45/21/67/360452167.db2.gz SIHBBNWZFGORLY-LSDHHAIUSA-N 1 0 304.390 2.091 10 30 DEEERO N#Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000609252868 361291380 /nfs/dbraw/zinc/29/13/80/361291380.db2.gz IKZOLKWPLKHDLZ-HUUCEWRRSA-N 1 0 316.380 2.123 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccnc(C#N)c2)C1 ZINC000193621429 201089048 /nfs/dbraw/zinc/08/90/48/201089048.db2.gz LFNVAWAYLIBLTM-CQSZACIVSA-N 1 0 300.406 2.051 10 30 DEEERO C=CCCOCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000620163666 363978707 /nfs/dbraw/zinc/97/87/07/363978707.db2.gz DYVQIONYSMPXPI-UHFFFAOYSA-N 1 0 302.418 2.491 10 30 DEEERO C=CC[C@H](C)[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000623422756 365024795 /nfs/dbraw/zinc/02/47/95/365024795.db2.gz DSYQUVLCWDKZBD-LBPRGKRZSA-N 1 0 324.384 2.260 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000623631966 365109006 /nfs/dbraw/zinc/10/90/06/365109006.db2.gz CVELLSJWOWSAPU-UHFFFAOYSA-N 1 0 311.470 2.389 10 30 DEEERO [NH3+]CC#Cc1cnccc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000091461666 193059092 /nfs/dbraw/zinc/05/90/92/193059092.db2.gz AJYSUYYCFHDPLH-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000624265857 365361633 /nfs/dbraw/zinc/36/16/33/365361633.db2.gz AKKYCOBLSFSETN-XYJFISCASA-N 1 0 303.450 2.473 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)[C@H](C)C1 ZINC000093638966 193277905 /nfs/dbraw/zinc/27/79/05/193277905.db2.gz IUFOOFLYCMMNOM-RHSMWYFYSA-N 1 0 311.433 2.368 10 30 DEEERO CN(Cc1ccccc1F)C(=O)c1csc(C#CC[NH3+])c1 ZINC000093975948 193332665 /nfs/dbraw/zinc/33/26/65/193332665.db2.gz OAGHHRQZVCCZFH-UHFFFAOYSA-N 1 0 302.374 2.470 10 30 DEEERO Cc1ncsc1CN(C)C(=O)c1csc(C#CC[NH3+])c1 ZINC000093976513 193332859 /nfs/dbraw/zinc/33/28/59/193332859.db2.gz QRFVMLJOOZDKJP-UHFFFAOYSA-N 1 0 305.428 2.095 10 30 DEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000042364684 183259553 /nfs/dbraw/zinc/25/95/53/183259553.db2.gz MSTNZMMAHQPWBY-BJJXKVORSA-N 1 0 302.443 2.453 10 30 DEEERO CC(C)CN(CCC#N)S(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000043419876 183361264 /nfs/dbraw/zinc/36/12/64/183361264.db2.gz OZJQOPSCFPQODG-ZDUSSCGKSA-N 1 0 309.435 2.267 10 30 DEEERO Cc1ccc(NS(=O)(=O)c2ccccc2)cc1C#CC[NH3+] ZINC000109436239 194262169 /nfs/dbraw/zinc/26/21/69/194262169.db2.gz NNVNSWMRWMPACO-UHFFFAOYSA-N 1 0 300.383 2.106 10 30 DEEERO OCCC#Cc1ccsc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062967952 184263680 /nfs/dbraw/zinc/26/36/80/184263680.db2.gz YXAIJSDCUORNNR-INIZCTEOSA-N 1 0 304.459 2.152 10 30 DEEERO C=C[C@](C)(C[NH2+]CCC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000158787515 197300496 /nfs/dbraw/zinc/30/04/96/197300496.db2.gz QGDXQDPRCYYQQY-GJZGRUSLSA-N 1 0 302.484 2.240 10 30 DEEERO C#CCN(CCC)S(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1 ZINC000161869208 197524830 /nfs/dbraw/zinc/52/48/30/197524830.db2.gz WOWBDODXUXUQLN-UHFFFAOYSA-N 1 0 308.447 2.219 10 30 DEEERO C#CCOc1ccccc1CN1Cc2ccccc2C[C@@H]1C(N)=O ZINC000119824798 195044218 /nfs/dbraw/zinc/04/42/18/195044218.db2.gz RLXPLKQDOYXWKN-GOSISDBHSA-N 1 0 320.392 2.111 10 30 DEEERO CC[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CC[N@@H+]1CCOC ZINC000120028732 195083101 /nfs/dbraw/zinc/08/31/01/195083101.db2.gz WVFYUTGTYUQVFV-MRXNPFEDSA-N 1 0 305.397 2.240 10 30 DEEERO Cc1ccc(C#CC[NH3+])c(C(=O)N2CCSC(C)(C)C2)c1 ZINC000159027175 197320004 /nfs/dbraw/zinc/32/00/04/197320004.db2.gz DFXZSLKVDOLSBC-UHFFFAOYSA-N 1 0 302.443 2.273 10 30 DEEERO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(C#CCO)c2)CCS1 ZINC000158023907 197237120 /nfs/dbraw/zinc/23/71/20/197237120.db2.gz QILPGDMZZLGVOM-MRXNPFEDSA-N 1 0 305.443 2.366 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccc(C#N)c2)C1 ZINC000157875281 197222607 /nfs/dbraw/zinc/22/26/07/197222607.db2.gz WRJDVJZZVRLZGC-CJNGLKHVSA-N 1 0 300.406 2.086 10 30 DEEERO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C(C1CC1)C1CC1 ZINC000156693064 197134129 /nfs/dbraw/zinc/13/41/29/197134129.db2.gz SPGSIBHNEJZHOW-UHFFFAOYSA-N 1 0 318.442 2.452 10 30 DEEERO C[C@@H]1C[N@@H+](C2CCN(CC#Cc3ccc(F)cc3)CC2)CCO1 ZINC000156294110 197101633 /nfs/dbraw/zinc/10/16/33/197101633.db2.gz WLJZEGOXNHDCKK-MRXNPFEDSA-N 1 0 316.420 2.362 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]CCCOCC(F)(F)F)n2c1 ZINC000123273691 195563970 /nfs/dbraw/zinc/56/39/70/195563970.db2.gz UXMYNJPFGVUBMO-UHFFFAOYSA-N 1 0 312.295 2.265 10 30 DEEERO CC(C)[NH+]1CCC(Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000186002517 144972617 /nfs/dbraw/zinc/97/26/17/144972617.db2.gz SDYMEHMCYKUDPT-UHFFFAOYSA-N 1 0 310.405 2.424 10 30 DEEERO N#Cc1ccc(C2(C(=O)N3CCN4CCCC[C@H]4C3)CC2)cc1 ZINC000188980291 145020576 /nfs/dbraw/zinc/02/05/76/145020576.db2.gz DSRHCPWJXMZOPV-KRWDZBQOSA-N 1 0 309.413 2.287 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000247372680 145135560 /nfs/dbraw/zinc/13/55/60/145135560.db2.gz SCOKAHHYALJAND-RISCZKNCSA-N 1 0 302.353 2.398 10 30 DEEERO N#Cc1cc(N2CC[NH+](C3CCOCC3)CC2)nc2ccccc12 ZINC000408312800 148588223 /nfs/dbraw/zinc/58/82/23/148588223.db2.gz CSJLFBYLSFGUTA-UHFFFAOYSA-N 1 0 322.412 2.407 10 30 DEEERO COCC1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCOCC1 ZINC000329538977 292206794 /nfs/dbraw/zinc/20/67/94/292206794.db2.gz VTRCBXCIRHZKKC-GOOCMWNKSA-N 1 0 310.438 2.401 10 30 DEEERO Cn1nccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113320767 401776038 /nfs/dbraw/zinc/77/60/38/401776038.db2.gz FRRMIDIKKDMEQW-UHFFFAOYSA-N 1 0 320.400 2.487 10 30 DEEERO CN(CC[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000085772192 401918615 /nfs/dbraw/zinc/91/86/15/401918615.db2.gz UHEXVXOLVORGRM-UHFFFAOYSA-N 1 0 321.428 2.212 10 30 DEEERO C=C[C@@](C)(CC)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000135029733 401924144 /nfs/dbraw/zinc/92/41/44/401924144.db2.gz AVBNCVUSJVUJSI-WMZOPIPTSA-N 1 0 307.482 2.217 10 30 DEEERO Cc1cc(C)n(CCC[NH2+]Cc2cnc3ccc(C#N)cn23)n1 ZINC000123167501 402114224 /nfs/dbraw/zinc/11/42/24/402114224.db2.gz TUYQJNQEWDMUFA-UHFFFAOYSA-N 1 0 308.389 2.199 10 30 DEEERO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123324607 402122254 /nfs/dbraw/zinc/12/22/54/402122254.db2.gz GZIBBBGFPQOBLH-CVEARBPZSA-N 1 0 302.418 2.070 10 30 DEEERO C#CCOCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000123634342 402139035 /nfs/dbraw/zinc/13/90/35/402139035.db2.gz WVSNLGSWYKIXQQ-GOSISDBHSA-N 1 0 314.429 2.197 10 30 DEEERO CCCC(=O)N[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000101564934 402149244 /nfs/dbraw/zinc/14/92/44/402149244.db2.gz TWGBONNPUKNKAX-MRXNPFEDSA-N 1 0 315.417 2.318 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000124713249 402193643 /nfs/dbraw/zinc/19/36/43/402193643.db2.gz GAQDRLPAZOKGCL-UWVGGRQHSA-N 1 0 311.332 2.016 10 30 DEEERO COc1ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1F ZINC000102699521 402170837 /nfs/dbraw/zinc/17/08/37/402170837.db2.gz NTWDPRFMSPANFB-GTNSWQLSSA-N 1 0 319.380 2.293 10 30 DEEERO N#Cc1ccccc1-c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000184731603 402295845 /nfs/dbraw/zinc/29/58/45/402295845.db2.gz VRKZVHFAGNBVLQ-MSOLQXFVSA-N 1 0 308.381 2.153 10 30 DEEERO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157814705 402298507 /nfs/dbraw/zinc/29/85/07/402298507.db2.gz UBXDQNVWDKFMKM-CYBMUJFWSA-N 1 0 319.453 2.359 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177454512 402404221 /nfs/dbraw/zinc/40/42/21/402404221.db2.gz AHLHZOITNZWKBU-BPUTZDHNSA-N 1 0 315.417 2.315 10 30 DEEERO C=CCN1CCC([NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)CC1 ZINC000186325447 402421782 /nfs/dbraw/zinc/42/17/82/402421782.db2.gz AVMXIFUOEFTLDS-IAGOWNOFSA-N 1 0 308.466 2.201 10 30 DEEERO C=CCCC[C@@H](C)NC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000245869171 402492690 /nfs/dbraw/zinc/49/26/90/402492690.db2.gz JBLZEGYNBZTIFH-HZPDHXFCSA-N 1 0 311.470 2.483 10 30 DEEERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCOc3ccc(C#N)cc3)[C@H]2C1 ZINC000246034687 402504754 /nfs/dbraw/zinc/50/47/54/402504754.db2.gz ACFFGPIUWLXLAY-SQNIBIBYSA-N 1 0 316.401 2.205 10 30 DEEERO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000181554945 402649931 /nfs/dbraw/zinc/64/99/31/402649931.db2.gz RPJUDSGQLPMSFA-CYBMUJFWSA-N 1 0 306.435 2.432 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000194037666 402781999 /nfs/dbraw/zinc/78/19/99/402781999.db2.gz LMIYWOMGHJMJHG-ZDUSSCGKSA-N 1 0 302.340 2.133 10 30 DEEERO Cc1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1C#N ZINC000175032106 402772944 /nfs/dbraw/zinc/77/29/44/402772944.db2.gz ZCZSKILHIWDNIO-CVEARBPZSA-N 1 0 312.417 2.349 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000278850173 402878142 /nfs/dbraw/zinc/87/81/42/402878142.db2.gz LFIJIESXMNHMPA-INIZCTEOSA-N 1 0 308.425 2.212 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCOC[C@@H]1C)C(C)C ZINC000277565825 403231379 /nfs/dbraw/zinc/23/13/79/403231379.db2.gz SDFLWACOGXMXTO-GVDBMIGSSA-N 1 0 323.481 2.409 10 30 DEEERO C#CCCOc1ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000284218639 403254566 /nfs/dbraw/zinc/25/45/66/403254566.db2.gz ZYJLYRZZUFXZRK-AEFFLSMTSA-N 1 0 319.445 2.336 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000284351907 403265452 /nfs/dbraw/zinc/26/54/52/403265452.db2.gz SDPYSZACEKABAL-HKUYNNGSSA-N 1 0 315.461 2.446 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000284430483 403267604 /nfs/dbraw/zinc/26/76/04/403267604.db2.gz YNQVBZJYNVHXEN-IEBWSBKVSA-N 1 0 313.445 2.222 10 30 DEEERO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000298368253 403368026 /nfs/dbraw/zinc/36/80/26/403368026.db2.gz QCCBMILMQIXRTE-GDBMZVCRSA-N 1 0 314.389 2.115 10 30 DEEERO C=CCOc1ccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1 ZINC000342846760 403369555 /nfs/dbraw/zinc/36/95/55/403369555.db2.gz OMNQVIIPBWNHEQ-HZPDHXFCSA-N 1 0 304.434 2.138 10 30 DEEERO N#Cc1cccnc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000301739585 403672211 /nfs/dbraw/zinc/67/22/11/403672211.db2.gz JTORNHWQTSDGHK-MRXNPFEDSA-N 1 0 300.406 2.034 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000287993858 403705720 /nfs/dbraw/zinc/70/57/20/403705720.db2.gz KTFRZPTUZQBLJK-SFHVURJKSA-N 1 0 312.413 2.077 10 30 DEEERO COc1cccc(N2CC[C@H](CNC(=[NH2+])N3CCCCC3)C2)c1 ZINC000303984577 403758811 /nfs/dbraw/zinc/75/88/11/403758811.db2.gz SGKJFMPZEFDAAN-OAHLLOKOSA-N 1 0 316.449 2.322 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289498254 403981957 /nfs/dbraw/zinc/98/19/57/403981957.db2.gz LRJTXUGWICQDBH-NSHDSACASA-N 1 0 310.195 2.123 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000344301441 404041747 /nfs/dbraw/zinc/04/17/47/404041747.db2.gz KJJCMBQBLBQPQS-OAHLLOKOSA-N 1 0 309.431 2.308 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1C ZINC000290140732 404057501 /nfs/dbraw/zinc/05/75/01/404057501.db2.gz GBHBDAGTJOPISR-BBRMVZONSA-N 1 0 322.416 2.027 10 30 DEEERO N#Cc1cc(Br)cnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000296540105 404297072 /nfs/dbraw/zinc/29/70/72/404297072.db2.gz NTDHGWQJLVUWCJ-ZDUSSCGKSA-N 1 0 321.222 2.390 10 30 DEEERO Cc1nnc([C@@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000329778850 404449220 /nfs/dbraw/zinc/44/92/20/404449220.db2.gz LMNIKFWXJVFIMD-NSNUZPRRSA-N 1 0 323.466 2.426 10 30 DEEERO Cn1cc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c(C2CC2)n1 ZINC000329804707 404456483 /nfs/dbraw/zinc/45/64/83/404456483.db2.gz KJYQGPPEVWKKLR-UHFFFAOYSA-N 1 0 317.437 2.403 10 30 DEEERO CC1CC[NH+](CC(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000330334819 404629183 /nfs/dbraw/zinc/62/91/83/404629183.db2.gz QZUZDPBQOOENSC-WMLDXEAASA-N 1 0 320.437 2.186 10 30 DEEERO C=CCC[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000357087580 404726941 /nfs/dbraw/zinc/72/69/41/404726941.db2.gz RARRBFNDUITCKB-SJORKVTESA-N 1 0 320.477 2.428 10 30 DEEERO C=CCNC(=O)CN(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000360178235 404820581 /nfs/dbraw/zinc/82/05/81/404820581.db2.gz HFULQLYGCPDSKC-FUHWJXTLSA-N 1 0 315.461 2.446 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccccc1OCC(=O)OC ZINC000424290775 405059911 /nfs/dbraw/zinc/05/99/11/405059911.db2.gz CGBVDLWFXHRINR-DZKIICNBSA-N 1 0 319.401 2.480 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000438451080 405247366 /nfs/dbraw/zinc/24/73/66/405247366.db2.gz GTUUTOPDCHNGOX-HZMVEIRTSA-N 1 0 323.481 2.339 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1cn(C)nc1C)C(C)C ZINC000448974268 405481204 /nfs/dbraw/zinc/48/12/04/405481204.db2.gz JQUFWRYKINWEOW-KRWDZBQOSA-N 1 0 318.465 2.086 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449394837 405544389 /nfs/dbraw/zinc/54/43/89/405544389.db2.gz HCBTXDCCORIJSS-QGZVFWFLSA-N 1 0 304.434 2.188 10 30 DEEERO C=CCc1cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc(OC)c1O ZINC000449466003 405574012 /nfs/dbraw/zinc/57/40/12/405574012.db2.gz FOBAZVORNOWGPQ-MRXNPFEDSA-N 1 0 313.344 2.331 10 30 DEEERO C=CC[C@@H](CO)C[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000638830327 405698601 /nfs/dbraw/zinc/69/86/01/405698601.db2.gz OFMRVNDVBXGFJU-CQSZACIVSA-N 1 0 312.417 2.419 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](CO)c1sccc1C ZINC000494665837 405741980 /nfs/dbraw/zinc/74/19/80/405741980.db2.gz JXTLPTBOPZFRIE-KBPBESRZSA-N 1 0 308.447 2.269 10 30 DEEERO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C(C)C ZINC000494922982 405784070 /nfs/dbraw/zinc/78/40/70/405784070.db2.gz QAUORKOPCSIMLT-CVEARBPZSA-N 1 0 307.482 2.332 10 30 DEEERO Cn1nccc1[C@@H](CO)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000459716926 406017400 /nfs/dbraw/zinc/01/74/00/406017400.db2.gz QJVFSCGWLVCKDU-TVRKMHQQSA-N 1 0 324.428 2.447 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000636524993 405999461 /nfs/dbraw/zinc/99/94/61/405999461.db2.gz ZECFUILGMYGAQU-MRXNPFEDSA-N 1 0 324.513 2.160 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000632516481 406168648 /nfs/dbraw/zinc/16/86/48/406168648.db2.gz IUMCKWQOXHWMGS-UHFFFAOYSA-N 1 0 323.481 2.039 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000636885609 406113342 /nfs/dbraw/zinc/11/33/42/406113342.db2.gz YTIXCEQEDPYGRT-MRXNPFEDSA-N 1 0 323.481 2.483 10 30 DEEERO C=CC[N@H+](Cc1cccs1)C[C@@H](O)CC1(O)CCOCC1 ZINC000634640633 406203401 /nfs/dbraw/zinc/20/34/01/406203401.db2.gz CXIFQDCMRDZJFF-AWEZNQCLSA-N 1 0 311.447 2.029 10 30 DEEERO C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000489470036 406410517 /nfs/dbraw/zinc/41/05/17/406410517.db2.gz FNQUAJBWYOBIDG-ZIAGYGMSSA-N 1 0 305.374 2.196 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000637621111 406368712 /nfs/dbraw/zinc/36/87/12/406368712.db2.gz JRFAEZXKSXYIJH-INIZCTEOSA-N 1 0 323.481 2.219 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000637623822 406369733 /nfs/dbraw/zinc/36/97/33/406369733.db2.gz ODASKJHUNTVKCT-UHFFFAOYSA-N 1 0 311.470 2.389 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634961217 406373043 /nfs/dbraw/zinc/37/30/43/406373043.db2.gz OGHFJICPGRVHJT-OAHLLOKOSA-N 1 0 309.431 2.308 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000633082362 406374453 /nfs/dbraw/zinc/37/44/53/406374453.db2.gz PPBGJTBMPOSPIU-UHFFFAOYSA-N 1 0 311.470 2.389 10 30 DEEERO C=CC[C@H](C)NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638008872 406521886 /nfs/dbraw/zinc/52/18/86/406521886.db2.gz JLOPFCYAZSRWML-INIZCTEOSA-N 1 0 315.461 2.451 10 30 DEEERO C=CCN(C)C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638220797 406632157 /nfs/dbraw/zinc/63/21/57/406632157.db2.gz ALRWLTITUVGPHG-UHFFFAOYSA-N 1 0 301.434 2.014 10 30 DEEERO C=CC[C@@H]1CCCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638409940 406755506 /nfs/dbraw/zinc/75/55/06/406755506.db2.gz SYABZYNEAXLPNI-AEFFLSMTSA-N 1 0 315.461 2.260 10 30 DEEERO COc1cc(C#N)ccc1Nc1cc(NN)[nH+]c(SC)n1 ZINC000130503027 196085494 /nfs/dbraw/zinc/08/54/94/196085494.db2.gz HLGNIWMWSMSUIF-UHFFFAOYSA-N 1 0 302.363 2.108 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000132425747 196255503 /nfs/dbraw/zinc/25/55/03/196255503.db2.gz DGDBHYJOFRYOHK-VIFPVBQESA-N 1 0 308.179 2.259 10 30 DEEERO C[NH2+][C@@H]1CCCN(c2ccc(Br)cc2C#N)C1=O ZINC000133030973 196306223 /nfs/dbraw/zinc/30/62/23/196306223.db2.gz JLSNUTQCNDQIDY-LLVKDONJSA-N 1 0 308.179 2.036 10 30 DEEERO C[N@@H+]1CCC[C@@H](CNc2cc(C#N)ncn2)[C@H]1c1cccs1 ZINC000584328951 424989505 /nfs/dbraw/zinc/98/95/05/424989505.db2.gz YVBPLSLQLOFKKP-LRDDRELGSA-N 1 0 313.430 2.905 10 30 DEEERO [NH2+]=C(NC[C@@H]1CC12CCOCC2)N[C@H]1CCOc2ccccc21 ZINC000262687809 274931768 /nfs/dbraw/zinc/93/17/68/274931768.db2.gz BERMXNSBVYMPDV-ZFWWWQNUSA-N 1 0 315.417 2.231 10 30 DEEERO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864685 279924218 /nfs/dbraw/zinc/92/42/18/279924218.db2.gz DRIRQSPYEBYISC-DOTOQJQBSA-N 1 0 315.417 2.124 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)NCc2cnc(CC)o2)CC1 ZINC000556550446 331714946 /nfs/dbraw/zinc/71/49/46/331714946.db2.gz AUGYVFWFOAWZSH-UHFFFAOYSA-N 1 0 306.410 2.077 10 30 DEEERO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000560321534 332330561 /nfs/dbraw/zinc/33/05/61/332330561.db2.gz ZBYOHONLAKXINE-OIISXLGYSA-N 1 0 305.418 2.483 10 30 DEEERO C=C(C)COCCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000531891501 334277297 /nfs/dbraw/zinc/27/72/97/334277297.db2.gz CKSLTJPNYXUKCG-UHFFFAOYSA-N 1 0 317.433 2.315 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@@H]2CCC[C@H](CC)C2)CC1 ZINC000346138032 335380074 /nfs/dbraw/zinc/38/00/74/335380074.db2.gz JSKPWOAMXSOYAZ-DLBZAZTESA-N 1 0 307.482 2.123 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC1CC[NH+](CCC)CC1 ZINC000519525430 335870234 /nfs/dbraw/zinc/87/02/34/335870234.db2.gz ODMXUYUOJUDILA-CVEARBPZSA-N 1 0 309.454 2.141 10 30 DEEERO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(C#N)cs1 ZINC000177698559 341924346 /nfs/dbraw/zinc/92/43/46/341924346.db2.gz HZXXOQBNXRYCBQ-INIZCTEOSA-N 1 0 313.426 2.409 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCc2ccc(Br)s2)CCO1 ZINC000262497568 534271682 /nfs/dbraw/zinc/27/16/82/534271682.db2.gz XBGJAVJEXCQGNX-MRVPVSSYSA-N 1 0 318.240 2.046 10 30 DEEERO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000453448356 534448559 /nfs/dbraw/zinc/44/85/59/534448559.db2.gz YKFGZLVZUWMNTF-HNNXBMFYSA-N 1 0 319.453 2.238 10 30 DEEERO [NH2+]=C(NCCn1ccc2cc(Cl)ccc21)NC[C@H]1CCCO1 ZINC000261830067 534834170 /nfs/dbraw/zinc/83/41/70/534834170.db2.gz AGFGDPJYFSLBAK-CQSZACIVSA-N 1 0 320.824 2.378 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H](CCOC)C2)CC1 ZINC000363820238 526426178 /nfs/dbraw/zinc/42/61/78/526426178.db2.gz MJTSWKJARWQNIH-MRXNPFEDSA-N 1 0 323.481 2.485 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2-n2cccn2)C1=O ZINC000373959924 526513006 /nfs/dbraw/zinc/51/30/06/526513006.db2.gz WSCYOCUQILJCKX-HOCLYGCPSA-N 1 0 310.401 2.310 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502651 526521737 /nfs/dbraw/zinc/52/17/37/526521737.db2.gz BGQPDJWCLPUVMG-UHFFFAOYSA-N 1 0 304.438 2.024 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000444709899 526606534 /nfs/dbraw/zinc/60/65/34/526606534.db2.gz UNMWKUJVHBOTNU-AWEZNQCLSA-N 1 0 303.406 2.136 10 30 DEEERO C#CCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246304356 526713753 /nfs/dbraw/zinc/71/37/53/526713753.db2.gz NIEXQVUBYRRFML-NVXWUHKLSA-N 1 0 314.433 2.005 10 30 DEEERO C=CCOc1ccc(CC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1 ZINC000296645749 526856891 /nfs/dbraw/zinc/85/68/91/526856891.db2.gz WZTSGOFPJPWDHQ-GJZGRUSLSA-N 1 0 302.418 2.345 10 30 DEEERO C=CCOc1ccc(CN2CC[NH2+]C[C@@H]2c2nccn2C)cc1 ZINC000262025253 526869555 /nfs/dbraw/zinc/86/95/55/526869555.db2.gz NLZAUDMRKWHZEG-QGZVFWFLSA-N 1 0 312.417 2.131 10 30 DEEERO C=CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000245753404 526901347 /nfs/dbraw/zinc/90/13/47/526901347.db2.gz OEBIOTCBFLGFHX-VQIMIIECSA-N 1 0 316.445 2.404 10 30 DEEERO C#CCOc1ccc(C[N@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)cc1 ZINC000370211066 527100682 /nfs/dbraw/zinc/10/06/82/527100682.db2.gz VFRDWVPPGPZJLM-PKOBYXMFSA-N 1 0 315.413 2.469 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415564893 527257626 /nfs/dbraw/zinc/25/76/26/527257626.db2.gz ZZUJVPHMDPXTKR-ZDUSSCGKSA-N 1 0 317.433 2.331 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[NH+](C)C ZINC000191955083 527258221 /nfs/dbraw/zinc/25/82/21/527258221.db2.gz OLFUXYGELVIJJH-UHFFFAOYSA-N 1 0 317.433 2.155 10 30 DEEERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(NC)=[NH+]C)O[C@H](C)C2 ZINC000263174295 528349491 /nfs/dbraw/zinc/34/94/91/528349491.db2.gz SMYOZTAORNTAOJ-OSMZGAPFSA-N 1 0 303.406 2.059 10 30 DEEERO CC[NH+]=C(NCCc1ccsc1)N1CC[C@]2(CCOC2)C1 ZINC000261955241 528807397 /nfs/dbraw/zinc/80/73/97/528807397.db2.gz IOKZOPLXETVCMD-INIZCTEOSA-N 1 0 307.463 2.369 10 30 DEEERO CC[NH+]=C(NCCc1nc(C)no1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261633520 528808471 /nfs/dbraw/zinc/80/84/71/528808471.db2.gz CQWHMLMEMLXVMG-KBPBESRZSA-N 1 0 305.426 2.008 10 30 DEEERO COc1cc(C#N)ccc1OCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248357768 536884373 /nfs/dbraw/zinc/88/43/73/536884373.db2.gz PWRNUOKRXJOPJP-INIZCTEOSA-N 1 0 315.417 2.116 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccccc1OCC#N ZINC000121422684 649954199 /nfs/dbraw/zinc/95/41/99/649954199.db2.gz OTDVDAQAIKRNHE-HNNXBMFYSA-N 1 0 314.385 2.479 10 30 DEEERO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1 ZINC000162595824 625552054 /nfs/dbraw/zinc/55/20/54/625552054.db2.gz XOXJQUHZXUVDLY-CQSZACIVSA-N 1 0 315.417 2.278 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)Cc1cn2ccccc2n1 ZINC000121277951 624732416 /nfs/dbraw/zinc/73/24/16/624732416.db2.gz LISOBJVKMFSPAF-HNNXBMFYSA-N 1 0 313.401 2.154 10 30 DEEERO C=CCn1c(C)nn(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1=S ZINC000247083822 625237755 /nfs/dbraw/zinc/23/77/55/625237755.db2.gz NMNOPDUQOKHSEU-TZMCWYRMSA-N 1 0 307.467 2.035 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)C1CCC(C(=O)OC)CC1 ZINC000181259465 625255753 /nfs/dbraw/zinc/25/57/53/625255753.db2.gz MHIWLPQYHUUJOL-FHERZECASA-N 1 0 323.433 2.243 10 30 DEEERO C(=NNCC[NH+]1CCCCC1)c1nccn1Cc1ccccc1 ZINC000734092776 633332586 /nfs/dbraw/zinc/33/25/86/633332586.db2.gz AQQCZELJLRUTKE-UHFFFAOYSA-N 1 0 311.433 2.341 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc([S@@](C)=O)cc1 ZINC000121463690 650125476 /nfs/dbraw/zinc/12/54/76/650125476.db2.gz WGCXHJPMPFQTIA-PEBXRYMYSA-N 1 0 321.442 2.315 10 30 DEEERO N#Cc1ccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000261588092 635912769 /nfs/dbraw/zinc/91/27/69/635912769.db2.gz VMDCOVLYPMQXJM-GMXVVIOVSA-N 1 0 306.207 2.494 10 30 DEEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N(C)Cc1ccc[nH]1 ZINC000261600335 635918933 /nfs/dbraw/zinc/91/89/33/635918933.db2.gz BKVALFZHZCWEGJ-ARFHVFGLSA-N 1 0 316.449 2.370 10 30 DEEERO C=CCNC(=O)[C@H](C)[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000741809174 638016569 /nfs/dbraw/zinc/01/65/69/638016569.db2.gz MJCKPXODLMHZPY-INIZCTEOSA-N 1 0 316.445 2.278 10 30 DEEERO C#CCOc1ccc(F)cc1NC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000743200930 638125206 /nfs/dbraw/zinc/12/52/06/638125206.db2.gz XBTWTWWMPMABLG-ZDUSSCGKSA-N 1 0 319.380 2.301 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)OC(C)(C)C ZINC000320693221 639526968 /nfs/dbraw/zinc/52/69/68/639526968.db2.gz WTQWRAQTVHPYBV-RCZWDNKTSA-N 1 0 322.449 2.157 10 30 DEEERO COCCNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000262791373 639875458 /nfs/dbraw/zinc/87/54/58/639875458.db2.gz KVITTZCKOCNWEB-CMPLNLGQSA-N 1 0 302.205 2.400 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000805183223 640087253 /nfs/dbraw/zinc/08/72/53/640087253.db2.gz CJCURSRYFKUGGY-QZTJIDSGSA-N 1 0 313.445 2.262 10 30 DEEERO C#CC[N@H+]1CCC[C@@H]1COC(=O)C1(c2ccc(F)cc2)CC1 ZINC000729812128 640844243 /nfs/dbraw/zinc/84/42/43/640844243.db2.gz MGUDWOFXDBUOCV-MRXNPFEDSA-N 1 0 301.361 2.498 10 30 DEEERO C=C(C)CNC(=[NH2+])NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000087002002 641273527 /nfs/dbraw/zinc/27/35/27/641273527.db2.gz WEEKXALIHIGMHS-OAHLLOKOSA-N 1 0 317.433 2.391 10 30 DEEERO N#CCOc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000172339915 646730804 /nfs/dbraw/zinc/73/08/04/646730804.db2.gz QQZYWADXAXEXNV-UHFFFAOYSA-N 1 0 317.352 2.398 10 30 DEEERO CC[NH+]=C(NC[C@@]1(O)CCSC1)NC1CCC(C)(C)CC1 ZINC000151699564 647000729 /nfs/dbraw/zinc/00/07/29/647000729.db2.gz SRIBIANUPWJDLN-INIZCTEOSA-N 1 0 313.511 2.378 10 30 DEEERO C=CCc1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(O)c(OC)c1 ZINC000184285785 649253535 /nfs/dbraw/zinc/25/35/35/649253535.db2.gz XPOUCRWQKHSCIB-SFHVURJKSA-N 1 0 319.401 2.121 10 30 DEEERO C=C(Br)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106460679 651346331 /nfs/dbraw/zinc/34/63/31/651346331.db2.gz ISFQSZJXDKLORY-CYBMUJFWSA-N 1 0 311.223 2.184 10 30 DEEERO C[NH+](C)CC1CCC(NC(=O)c2ccccc2OCC#N)CC1 ZINC000129734358 684182008 /nfs/dbraw/zinc/18/20/08/684182008.db2.gz AUSNTMUUWMBLLB-UHFFFAOYSA-N 1 0 315.417 2.439 10 30 DEEERO C=C(Br)C[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000161440951 684328888 /nfs/dbraw/zinc/32/88/88/684328888.db2.gz ILRHLLVESZMSOD-LBPRGKRZSA-N 1 0 300.196 2.233 10 30 DEEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000245543864 685114250 /nfs/dbraw/zinc/11/42/50/685114250.db2.gz RMDBXCSFUSUTLD-GUTXKFCHSA-N 1 0 301.390 2.063 10 30 DEEERO Cc1nn(C)c(C)c1CC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303865942 685236450 /nfs/dbraw/zinc/23/64/50/685236450.db2.gz BYHUEIARXYMOPK-UHFFFAOYSA-N 1 0 313.449 2.287 10 30 DEEERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NCc2cc(C#N)ccc2F)C1 ZINC000886082507 691999949 /nfs/dbraw/zinc/99/99/49/691999949.db2.gz JLDKPDKAKXBOSM-NXHRZFHOSA-N 1 0 317.408 2.429 10 30 DEEERO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N+]12CCN(CC1)CC2 ZINC000022308269 717113617 /nfs/dbraw/zinc/11/36/17/717113617.db2.gz WZKPXNILCHPHMZ-HNNXBMFYSA-O 1 0 310.421 2.313 10 30 DEEERO C[C@@H](NC(=O)C[N+]12CCN(CC1)CC2)c1cccc2ccccc21 ZINC000029224774 717117487 /nfs/dbraw/zinc/11/74/87/717117487.db2.gz JDZLMBJHVNUDPF-MRXNPFEDSA-O 1 0 324.448 2.163 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)Cc2ccsc2)CC1 ZINC000081398090 1081095011 /nfs/dbraw/zinc/09/50/11/1081095011.db2.gz NRZJTCYKQXKTTN-CQSZACIVSA-N 1 0 304.459 2.483 10 30 DEEERO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)CC1(O)CCC1 ZINC000625104643 365644552 /nfs/dbraw/zinc/64/45/52/365644552.db2.gz CSKNGUNIRGKHHD-MRXNPFEDSA-N 1 0 305.418 2.349 10 30 DEEERO CCCc1nnsc1C(=O)Nc1cccc(C#CC[NH3+])c1 ZINC000087456367 185225527 /nfs/dbraw/zinc/22/55/27/185225527.db2.gz ZCSFLJNOBSFTFP-UHFFFAOYSA-N 1 0 300.387 2.053 10 30 DEEERO CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccccc1C#CC[NH3+] ZINC000088310905 185245198 /nfs/dbraw/zinc/24/51/98/185245198.db2.gz LLPYNQFRWCZOML-KBPBESRZSA-N 1 0 308.447 2.100 10 30 DEEERO COCC[NH2+]CCCc1nnc(-c2cccc(C#N)c2)s1 ZINC000088813365 185266402 /nfs/dbraw/zinc/26/64/02/185266402.db2.gz QRDUUDOLVICPAQ-UHFFFAOYSA-N 1 0 302.403 2.245 10 30 DEEERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1sc(C)c(C)c1C#N ZINC000090543524 185302203 /nfs/dbraw/zinc/30/22/03/185302203.db2.gz JGTKHBWSHOWUFP-OLZOCXBDSA-N 1 0 307.419 2.190 10 30 DEEERO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(C#N)o2)CC1 ZINC000092665098 185332625 /nfs/dbraw/zinc/33/26/25/185332625.db2.gz FNOGBGXITDXGRU-HZPDHXFCSA-N 1 0 316.449 2.142 10 30 DEEERO C=C[C@](C)(O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000613677237 362178132 /nfs/dbraw/zinc/17/81/32/362178132.db2.gz DDUJZBRVBQGKRZ-ROUUACIJSA-N 1 0 302.418 2.094 10 30 DEEERO C=C[C@@](C)(O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000613677236 362178372 /nfs/dbraw/zinc/17/83/72/362178372.db2.gz DDUJZBRVBQGKRZ-QZTJIDSGSA-N 1 0 302.418 2.094 10 30 DEEERO C[N@H+]1C[C@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)C[C@H]2C1 ZINC000193646343 529823713 /nfs/dbraw/zinc/82/37/13/529823713.db2.gz QYRSPDPVVGAVRY-GASCZTMLSA-N 1 0 324.346 2.430 10 30 DEEERO C=CC[C@@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000614065916 362273983 /nfs/dbraw/zinc/27/39/83/362273983.db2.gz XVPGGPBYUABWPT-MJGOQNOKSA-N 1 0 316.445 2.261 10 30 DEEERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000286719842 219128570 /nfs/dbraw/zinc/12/85/70/219128570.db2.gz CIEVPZWGENPPCB-ZANVPECISA-N 1 0 322.206 2.077 10 30 DEEERO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800514 365909423 /nfs/dbraw/zinc/90/94/23/365909423.db2.gz JSFXTZLIBRXHLN-CRAIPNDOSA-N 1 0 301.386 2.423 10 30 DEEERO [NH3+]CC#Cc1ccsc1CNC(=O)c1c(F)cccc1F ZINC000148681881 186045397 /nfs/dbraw/zinc/04/53/97/186045397.db2.gz BVVJRVXVRYGUOL-UHFFFAOYSA-N 1 0 306.337 2.267 10 30 DEEERO CCOC(C)(C)CNC(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000159705991 186136848 /nfs/dbraw/zinc/13/68/48/186136848.db2.gz IWVQVTMGQOGTEF-UHFFFAOYSA-N 1 0 308.809 2.195 10 30 DEEERO C=CCCC[C@H](C)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000091506907 355599751 /nfs/dbraw/zinc/59/97/51/355599751.db2.gz FKTAIHLTHRDKPO-AWEZNQCLSA-N 1 0 314.437 2.230 10 30 DEEERO C=CCCC[C@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000182147710 356111685 /nfs/dbraw/zinc/11/16/85/356111685.db2.gz LYSZYYVQJBTHKO-XHSDSOJGSA-N 1 0 311.470 2.218 10 30 DEEERO C=CCCC[C@H](C)NC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000181087843 356071837 /nfs/dbraw/zinc/07/18/37/356071837.db2.gz JBLZEGYNBZTIFH-HOTGVXAUSA-N 1 0 311.470 2.483 10 30 DEEERO C=C(C)COc1cc(C[NH2+]CCCn2ccnn2)ccc1OC ZINC000184249002 356188796 /nfs/dbraw/zinc/18/87/96/356188796.db2.gz YRSIXRMNPVEHHJ-UHFFFAOYSA-N 1 0 316.405 2.422 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC1([NH3+])CCC1 ZINC000237808483 356300425 /nfs/dbraw/zinc/30/04/25/356300425.db2.gz ORVWDJZUXBYOHD-UHFFFAOYSA-N 1 0 303.362 2.381 10 30 DEEERO CC(C)[C@@H](CNC(=O)c1cc(C#N)cn1C)[NH+]1CCC(C)CC1 ZINC000081012671 192214687 /nfs/dbraw/zinc/21/46/87/192214687.db2.gz RLKPMAFQOCJNDW-QGZVFWFLSA-N 1 0 316.449 2.383 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000320987910 356447909 /nfs/dbraw/zinc/44/79/09/356447909.db2.gz IRJURJVHIIFXMN-NWDGAFQWSA-N 1 0 320.216 2.260 10 30 DEEERO N#Cc1ccc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000261588093 283171809 /nfs/dbraw/zinc/17/18/09/283171809.db2.gz VMDCOVLYPMQXJM-GVXVVHGQSA-N 1 0 306.207 2.494 10 30 DEEERO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000588339784 357408137 /nfs/dbraw/zinc/40/81/37/357408137.db2.gz OKUGCLHXIPQRNQ-HNNXBMFYSA-N 1 0 318.396 2.371 10 30 DEEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595922163 358581910 /nfs/dbraw/zinc/58/19/10/358581910.db2.gz YTKIDVOMUZSKAM-QWHCGFSZSA-N 1 0 324.446 2.436 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC000599627840 359547169 /nfs/dbraw/zinc/54/71/69/359547169.db2.gz OTIDRACNGQNITA-MRXNPFEDSA-N 1 0 303.406 2.294 10 30 DEEERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2sccc2C#N)C1 ZINC000187897040 200172962 /nfs/dbraw/zinc/17/29/62/200172962.db2.gz IVDMPHSGFVSBCE-XHDPSFHLSA-N 1 0 307.419 2.041 10 30 DEEERO C[C@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000187909635 200175338 /nfs/dbraw/zinc/17/53/38/200175338.db2.gz KTESMFBWIGYNBO-KSSFIOAISA-N 1 0 315.417 2.370 10 30 DEEERO N#Cc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1O ZINC000188550196 200265233 /nfs/dbraw/zinc/26/52/33/200265233.db2.gz DJYYFWGBAGOXTA-UHFFFAOYSA-N 1 0 313.401 2.212 10 30 DEEERO C[C@H]1CC(O)C[C@H](C)[NH+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000191272424 200657996 /nfs/dbraw/zinc/65/79/96/200657996.db2.gz WFTVYKPLVFYKND-STQMWFEESA-N 1 0 301.390 2.121 10 30 DEEERO C=C(C)COc1cc(C[NH2+]C[C@H]2COCCN2C)ccc1OC ZINC000623710940 365139697 /nfs/dbraw/zinc/13/96/97/365139697.db2.gz PUQKIRAZWZBWCL-INIZCTEOSA-N 1 0 320.433 2.070 10 30 DEEERO C=CCC[C@H](CC)[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624115304 365294497 /nfs/dbraw/zinc/29/44/97/365294497.db2.gz SACBKMNLQOYXJK-KBPBESRZSA-N 1 0 300.410 2.037 10 30 DEEERO COC(=O)CC[N@@H+](Cc1cnc2ccc(C#N)cn12)CC(C)C ZINC000091922696 193126795 /nfs/dbraw/zinc/12/67/95/193126795.db2.gz SQAMOHYHCAKMJX-UHFFFAOYSA-N 1 0 314.389 2.227 10 30 DEEERO C=CC(C)(C)CC[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000629588142 367265817 /nfs/dbraw/zinc/26/58/17/367265817.db2.gz IIUMISGKTXSMSJ-ZDUSSCGKSA-N 1 0 307.390 2.347 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(C[C@@H](C)[N@H+](C)Cc2ccccc2)C1=O ZINC000630971394 367944015 /nfs/dbraw/zinc/94/40/15/367944015.db2.gz APJXHZHEOAQORB-GDBMZVCRSA-N 1 0 315.417 2.394 10 30 DEEERO CC[C@@H](C)CN(CC)S(=O)(=O)c1cccc(C#CC[NH3+])c1 ZINC000093265095 193223110 /nfs/dbraw/zinc/22/31/10/193223110.db2.gz FDFVWTCOMKLAAU-CQSZACIVSA-N 1 0 308.447 2.054 10 30 DEEERO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000093523195 193262838 /nfs/dbraw/zinc/26/28/38/193262838.db2.gz QPOLDGYSMARTIB-GFCCVEGCSA-N 1 0 310.419 2.063 10 30 DEEERO [NH3+]CC#Cc1cc(C(=O)N2CCc3sccc3C2)cs1 ZINC000093975594 193333056 /nfs/dbraw/zinc/33/30/56/193333056.db2.gz XNJDTCRIUPDKFF-UHFFFAOYSA-N 1 0 302.424 2.318 10 30 DEEERO CSC1(C#N)CC[NH+]([C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000094375712 193367191 /nfs/dbraw/zinc/36/71/91/193367191.db2.gz YPERWXHYPFRIKL-CQSZACIVSA-N 1 0 310.463 2.436 10 30 DEEERO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CC)CC1 ZINC000453463425 245156258 /nfs/dbraw/zinc/15/62/58/245156258.db2.gz JFUFUZJUVSROJN-OAHLLOKOSA-N 1 0 319.453 2.238 10 30 DEEERO C#CC[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000271726681 209160440 /nfs/dbraw/zinc/16/04/40/209160440.db2.gz RLAQIFQFIHWYAS-WBVHZDCISA-N 1 0 320.458 2.012 10 30 DEEERO C=CC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000160175511 197391845 /nfs/dbraw/zinc/39/18/45/197391845.db2.gz GMESQKJYHKXTSS-GFCCVEGCSA-N 1 0 307.781 2.309 10 30 DEEERO CC[C@@H]1CN(Cc2cc(C#N)ccc2OC)CC[N@@H+]1CCOC ZINC000159927913 197373806 /nfs/dbraw/zinc/37/38/06/197373806.db2.gz XIVMDNNTIOHZOH-QGZVFWFLSA-N 1 0 317.433 2.109 10 30 DEEERO C=CCOc1ccc(-c2nc(C#N)c(N3CC[NH2+]CC3)o2)cc1 ZINC000040165750 183042884 /nfs/dbraw/zinc/04/28/84/183042884.db2.gz CWROOFPCNUDRNP-UHFFFAOYSA-N 1 0 310.357 2.188 10 30 DEEERO N#C[C@H](c1cc(Br)cs1)N1CCC[NH2+]CC1 ZINC000041677608 183215287 /nfs/dbraw/zinc/21/52/87/183215287.db2.gz CLTOWILVSIOUDP-SNVBAGLBSA-N 1 0 300.225 2.371 10 30 DEEERO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000284785355 218176981 /nfs/dbraw/zinc/17/69/81/218176981.db2.gz YPOGMYXZVVHUCS-BZSNNMDCSA-N 1 0 300.402 2.310 10 30 DEEERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC(=O)N(C)CCC#N ZINC000158002778 197233884 /nfs/dbraw/zinc/23/38/84/197233884.db2.gz BVOLQZFQUWSTNE-ZDUSSCGKSA-N 1 0 319.453 2.359 10 30 DEEERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156645891 197130742 /nfs/dbraw/zinc/13/07/42/197130742.db2.gz PJMLUGDGSUJXLF-MSOLQXFVSA-N 1 0 310.401 2.261 10 30 DEEERO Cc1c(C#CC[NH3+])cccc1C(=O)NC[C@H]1CCCCS1 ZINC000156567874 197123771 /nfs/dbraw/zinc/12/37/71/197123771.db2.gz KSMGDYQPCQRDPU-OAHLLOKOSA-N 1 0 302.443 2.321 10 30 DEEERO CCc1noc(C)c1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000155574649 197068374 /nfs/dbraw/zinc/06/83/74/197068374.db2.gz DXEMIUNBFFZBDX-UHFFFAOYSA-N 1 0 307.398 2.245 10 30 DEEERO COc1cc(C#N)ccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000120857160 195251927 /nfs/dbraw/zinc/25/19/27/195251927.db2.gz OTFXJAWIOZWAEP-UHFFFAOYSA-N 1 0 323.400 2.433 10 30 DEEERO C=CC[N@H+]1CC[C@H]2[C@H]1CCN2C(=O)Cc1ccc(OC)cc1 ZINC000247938830 257114484 /nfs/dbraw/zinc/11/44/84/257114484.db2.gz WMOFCZIHWWDKOM-SJORKVTESA-N 1 0 300.402 2.099 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C(C)C ZINC000356356002 404471599 /nfs/dbraw/zinc/47/15/99/404471599.db2.gz XZWMQWJJURMICR-QBPKDAKJSA-N 1 0 306.450 2.226 10 30 DEEERO COc1ccnc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000191690062 145062595 /nfs/dbraw/zinc/06/25/95/145062595.db2.gz RTSQZEPCYOGRNS-UHFFFAOYSA-N 1 0 323.400 2.433 10 30 DEEERO CN1Cc2ccccc2[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000371090657 148062023 /nfs/dbraw/zinc/06/20/23/148062023.db2.gz VTAMOTYLFRFCDR-SFHVURJKSA-N 1 0 317.396 2.482 10 30 DEEERO C=CCOc1ccccc1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000127619197 401742847 /nfs/dbraw/zinc/74/28/47/401742847.db2.gz XJFLCCDBILWEEE-UHFFFAOYSA-N 1 0 315.417 2.241 10 30 DEEERO C=CCC[C@H](O)C[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000127735460 401748121 /nfs/dbraw/zinc/74/81/21/401748121.db2.gz DHIUQMMRNRUCNA-KRWDZBQOSA-N 1 0 320.481 2.083 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1sccc1C#N ZINC000113268401 401773665 /nfs/dbraw/zinc/77/36/65/401773665.db2.gz ZWRHHEHAXYHGMS-TZMCWYRMSA-N 1 0 318.446 2.117 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000077316929 401810537 /nfs/dbraw/zinc/81/05/37/401810537.db2.gz JETDUKRJUMNVQK-MVVMVCHASA-N 1 0 316.401 2.038 10 30 DEEERO CC[C@H]1CN(Cc2ccc(OC)c(C#N)c2)CC[N@@H+]1CCOC ZINC000135050613 401925826 /nfs/dbraw/zinc/92/58/26/401925826.db2.gz LDFUXVKDBHPAQX-KRWDZBQOSA-N 1 0 317.433 2.109 10 30 DEEERO C=C[C@H](CC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000135016371 401923839 /nfs/dbraw/zinc/92/38/39/401923839.db2.gz FOPNPBILRMPFEM-NVXWUHKLSA-N 1 0 302.418 2.135 10 30 DEEERO N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152411536 402094904 /nfs/dbraw/zinc/09/49/04/402094904.db2.gz MKGGBQBSBMPPQS-QGZVFWFLSA-N 1 0 309.369 2.485 10 30 DEEERO CCCC(=O)N[C@@H]1CCC[N@H+](CCOc2ccccc2C#N)C1 ZINC000101563193 402148632 /nfs/dbraw/zinc/14/86/32/402148632.db2.gz MFLXKRQPFFJMCR-MRXNPFEDSA-N 1 0 315.417 2.318 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CCOC1)C(C)C ZINC000106533192 402214023 /nfs/dbraw/zinc/21/40/23/402214023.db2.gz YYEASBWVTNFEOE-HZPDHXFCSA-N 1 0 309.454 2.115 10 30 DEEERO C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000185108630 402325462 /nfs/dbraw/zinc/32/54/62/402325462.db2.gz IKDYVZXHAUKLOO-AWEZNQCLSA-N 1 0 302.422 2.374 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000176518902 402316742 /nfs/dbraw/zinc/31/67/42/402316742.db2.gz FUSRDQDNRLIMRS-OAHLLOKOSA-N 1 0 312.373 2.057 10 30 DEEERO CSCCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000229246724 402341308 /nfs/dbraw/zinc/34/13/08/402341308.db2.gz NGSJOQOESUMTGQ-UHFFFAOYSA-N 1 0 312.460 2.065 10 30 DEEERO CC(C)C[C@H](CO)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185321051 402343055 /nfs/dbraw/zinc/34/30/55/402343055.db2.gz QYTKCABPYILCDP-OAHLLOKOSA-N 1 0 314.389 2.447 10 30 DEEERO Cc1nc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)ccc1C#N ZINC000186248595 402415202 /nfs/dbraw/zinc/41/52/02/402415202.db2.gz JLZKHVIWNSFSAI-ZDUSSCGKSA-N 1 0 300.406 2.256 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245419079 402458389 /nfs/dbraw/zinc/45/83/89/402458389.db2.gz GVNPVVKNSYWIOP-WMLDXEAASA-N 1 0 314.433 2.159 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178284523 402479749 /nfs/dbraw/zinc/47/97/49/402479749.db2.gz NCEYIJXDDNCKFX-DOTOQJQBSA-N 1 0 318.465 2.469 10 30 DEEERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000248067021 402581590 /nfs/dbraw/zinc/58/15/90/402581590.db2.gz PVPJDIGELMUHHW-NVXWUHKLSA-N 1 0 306.369 2.128 10 30 DEEERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(C#N)s1 ZINC000179382409 402587931 /nfs/dbraw/zinc/58/79/31/402587931.db2.gz RMOPCMVQVLAYGH-LLVKDONJSA-N 1 0 310.386 2.446 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)CSc2ccc(C#N)cc2)C1 ZINC000171479406 402589551 /nfs/dbraw/zinc/58/95/51/402589551.db2.gz SSVFMEPFSHEVMA-AWEZNQCLSA-N 1 0 303.431 2.251 10 30 DEEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000179466200 402590961 /nfs/dbraw/zinc/59/09/61/402590961.db2.gz VIIFIQMEKYWBMX-ZBFHGGJFSA-N 1 0 311.389 2.406 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000249513737 402632231 /nfs/dbraw/zinc/63/22/31/402632231.db2.gz XYOCTBOOQDCYPN-CABCVRRESA-N 1 0 315.417 2.316 10 30 DEEERO COc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1O ZINC000172339594 402650878 /nfs/dbraw/zinc/65/08/78/402650878.db2.gz CGRWQQKHPJNSEQ-UHFFFAOYSA-N 1 0 308.341 2.210 10 30 DEEERO COc1cc(C#N)ccc1OCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191281454 402656997 /nfs/dbraw/zinc/65/69/97/402656997.db2.gz CYEKIRYBIXFZBX-CHWSQXEVSA-N 1 0 304.390 2.179 10 30 DEEERO C=CC[N@@H+](CCCN1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000173581581 402704079 /nfs/dbraw/zinc/70/40/79/402704079.db2.gz ZUGJNFGNIFGTHQ-UHFFFAOYSA-N 1 0 319.405 2.305 10 30 DEEERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000182900182 402725620 /nfs/dbraw/zinc/72/56/20/402725620.db2.gz TYWSBHXYDHORFG-GOEBONIOSA-N 1 0 315.417 2.041 10 30 DEEERO C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262448566 402726013 /nfs/dbraw/zinc/72/60/13/402726013.db2.gz DOOVLXLIMSAZKR-HOCLYGCPSA-N 1 0 316.449 2.289 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000182934901 402728455 /nfs/dbraw/zinc/72/84/55/402728455.db2.gz WOORJNRTEZPAKC-KRWDZBQOSA-N 1 0 317.433 2.019 10 30 DEEERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000183115605 402740232 /nfs/dbraw/zinc/74/02/32/402740232.db2.gz SAHFASKIYADLGT-BFKWJSRZSA-N 1 0 321.465 2.463 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cccc(C#N)c1 ZINC000175048078 402774355 /nfs/dbraw/zinc/77/43/55/402774355.db2.gz BZARTZUJCWETQT-DLBZAZTESA-N 1 0 312.417 2.055 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000183643099 402784831 /nfs/dbraw/zinc/78/48/31/402784831.db2.gz PPPVRFPFSSXLKL-RDJZCZTQSA-N 1 0 319.449 2.133 10 30 DEEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000273479447 403008409 /nfs/dbraw/zinc/00/84/09/403008409.db2.gz UARIUEWHVQFUGX-HIFRSBDPSA-N 1 0 300.406 2.472 10 30 DEEERO C=C(C)CC[N@@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000274752293 403084323 /nfs/dbraw/zinc/08/43/23/403084323.db2.gz HYNZZHVDIWGZAQ-UHFFFAOYSA-N 1 0 317.433 2.360 10 30 DEEERO Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000283446329 403198077 /nfs/dbraw/zinc/19/80/77/403198077.db2.gz IDQWULYIHSHXCO-MRXNPFEDSA-N 1 0 322.416 2.028 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000285208029 403279410 /nfs/dbraw/zinc/27/94/10/403279410.db2.gz TXJJGCQHYNEBIN-RBUKOAKNSA-N 1 0 306.409 2.307 10 30 DEEERO C=C(CNC(=O)NCCCC[NH+]1CCOCC1)c1ccccc1 ZINC000287013738 403552508 /nfs/dbraw/zinc/55/25/08/403552508.db2.gz GALOJTIPKTVAMF-UHFFFAOYSA-N 1 0 317.433 2.111 10 30 DEEERO C[C@H](C[NH+]1CCN(C)CC1)Nc1cc(C#N)nc2ccccc21 ZINC000301396959 403623764 /nfs/dbraw/zinc/62/37/64/403623764.db2.gz NKXYZALROBBUML-CQSZACIVSA-N 1 0 309.417 2.154 10 30 DEEERO Cc1cc(C)c2ncc(C#N)c(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2c1 ZINC000301657484 403659654 /nfs/dbraw/zinc/65/96/54/403659654.db2.gz LKNJTLLFLLCBLW-SJORKVTESA-N 1 0 322.412 2.243 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000288214905 403741846 /nfs/dbraw/zinc/74/18/46/403741846.db2.gz QNVSPNFXBQJTEY-QZTJIDSGSA-N 1 0 313.445 2.214 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](O)C1(C)C)C(C)C ZINC000361879197 403908097 /nfs/dbraw/zinc/90/80/97/403908097.db2.gz HSRBKGSOUVYZHD-JKSUJKDBSA-N 1 0 323.481 2.240 10 30 DEEERO C=CCN1CC[C@@H](N(C)Cc2ccccc2OC2CC2)C1=O ZINC000295469578 403942765 /nfs/dbraw/zinc/94/27/65/403942765.db2.gz XXMTUNBHVAOFNO-MRXNPFEDSA-N 1 0 300.402 2.447 10 30 DEEERO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccncc2C#N)CC1 ZINC000369559241 404142749 /nfs/dbraw/zinc/14/27/49/404142749.db2.gz GFVAMAXJRURVAI-CQSZACIVSA-N 1 0 307.401 2.408 10 30 DEEERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000328957104 404182159 /nfs/dbraw/zinc/18/21/59/404182159.db2.gz PEWRDPFUFPBURB-RBSFLKMASA-N 1 0 320.437 2.329 10 30 DEEERO C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000290494128 404193383 /nfs/dbraw/zinc/19/33/83/404193383.db2.gz VHHWXRRZXKAQGQ-KBPBESRZSA-N 1 0 312.421 2.132 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000329374747 404317601 /nfs/dbraw/zinc/31/76/01/404317601.db2.gz KMCYWTNMRZBPJW-JSGCOSHPSA-N 1 0 317.389 2.172 10 30 DEEERO Cc1nn(C)c(C)c1NC(=O)CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000329508078 404360388 /nfs/dbraw/zinc/36/03/88/404360388.db2.gz AWQAXIRJAFFJCZ-WFASDCNBSA-N 1 0 319.453 2.184 10 30 DEEERO Cn1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(C2CC2)n1 ZINC000329613552 404392770 /nfs/dbraw/zinc/39/27/70/404392770.db2.gz KKOMDVKKXMBIKB-ZDUSSCGKSA-N 1 0 317.437 2.261 10 30 DEEERO O=C(NCC[N@@H+]1CCCOCC1)NCc1ccc(C2CC2)cc1 ZINC000330076829 404545487 /nfs/dbraw/zinc/54/54/87/404545487.db2.gz DXFYIUXKUFXKFG-UHFFFAOYSA-N 1 0 317.433 2.290 10 30 DEEERO C=C(CNC(=O)NC[C@@H]1CCC[N@H+]1CCOC)c1ccccc1 ZINC000353108792 404744810 /nfs/dbraw/zinc/74/48/10/404744810.db2.gz HEFCFJHYKGAUIR-KRWDZBQOSA-N 1 0 317.433 2.110 10 30 DEEERO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000358011068 404751288 /nfs/dbraw/zinc/75/12/88/404751288.db2.gz ASHPKUAXBUDCTB-ZIAGYGMSSA-N 1 0 306.410 2.446 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000424295200 405060594 /nfs/dbraw/zinc/06/05/94/405060594.db2.gz MKNXSRHQHJWBLO-CAMMJAKZSA-N 1 0 315.461 2.473 10 30 DEEERO C=CCC1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCOCC1 ZINC000424661618 405142156 /nfs/dbraw/zinc/14/21/56/405142156.db2.gz KPVFWRVRGKJQIJ-INIZCTEOSA-N 1 0 306.450 2.446 10 30 DEEERO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000452126116 405185166 /nfs/dbraw/zinc/18/51/66/405185166.db2.gz QJYPQQYGDBRVGG-YOEHRIQHSA-N 1 0 322.412 2.290 10 30 DEEERO C=CCC1(C(=O)NC2CC([NH+]3CCCCC3)C2)CCOCC1 ZINC000424815526 405186953 /nfs/dbraw/zinc/18/69/53/405186953.db2.gz XBUVFGBVBMZFMU-UHFFFAOYSA-N 1 0 306.450 2.492 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000424921859 405213029 /nfs/dbraw/zinc/21/30/29/405213029.db2.gz GQKLAICVFQQIEC-UAGQMJEPSA-N 1 0 306.450 2.491 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000425639921 405309228 /nfs/dbraw/zinc/30/92/28/405309228.db2.gz OIBBFTMBULTLCD-PMPSAXMXSA-N 1 0 309.454 2.141 10 30 DEEERO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(C#N)n2C)C1 ZINC000448826385 405452591 /nfs/dbraw/zinc/45/25/91/405452591.db2.gz XHGXVVHXZMBEME-IJEWVQPXSA-N 1 0 314.433 2.374 10 30 DEEERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc(F)c3C#N)[C@H]2C1 ZINC000577809034 405516055 /nfs/dbraw/zinc/51/60/55/405516055.db2.gz RKMRINSOJLAECX-ZVZYQTTQSA-N 1 0 315.392 2.434 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638644385 405589698 /nfs/dbraw/zinc/58/96/98/405589698.db2.gz PZYWLYPFDYPFCF-QWHCGFSZSA-N 1 0 304.390 2.130 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)c1ccnn1C)C(C)C ZINC000421768324 405639161 /nfs/dbraw/zinc/63/91/61/405639161.db2.gz DZVNIYZDYZUSPM-NVXWUHKLSA-N 1 0 318.465 2.338 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000450070661 405727580 /nfs/dbraw/zinc/72/75/80/405727580.db2.gz ATDUYSLQWODISN-UHFFFAOYSA-N 1 0 316.430 2.162 10 30 DEEERO C=CCc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc(OC)c1OC ZINC000638892702 405744951 /nfs/dbraw/zinc/74/49/51/405744951.db2.gz WUXHGWKZWJKIJZ-IUODEOHRSA-N 1 0 318.417 2.099 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000583929954 405789637 /nfs/dbraw/zinc/78/96/37/405789637.db2.gz KXCHRGRKGCQAEM-ULQDDVLXSA-N 1 0 305.418 2.224 10 30 DEEERO C=CCC1(C(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)CCCC1 ZINC000450957237 406002157 /nfs/dbraw/zinc/00/21/57/406002157.db2.gz GWZYTWZBJXQGCH-OAHLLOKOSA-N 1 0 308.466 2.427 10 30 DEEERO C=CCn1c(CC(F)(F)F)nnc1N1CC[NH+](CCC)CC1 ZINC000566220510 406087218 /nfs/dbraw/zinc/08/72/18/406087218.db2.gz KRHRBGDUWYKDGI-UHFFFAOYSA-N 1 0 317.359 2.101 10 30 DEEERO C=CCOc1ccccc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564840037 406066368 /nfs/dbraw/zinc/06/63/68/406066368.db2.gz NRYHNQHWVZKFBA-GOSISDBHSA-N 1 0 300.402 2.467 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000637320551 406256681 /nfs/dbraw/zinc/25/66/81/406256681.db2.gz QDQOBEYERIPDQA-UHFFFAOYSA-N 1 0 311.470 2.341 10 30 DEEERO C=CC(C)(C)CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000637322029 406257655 /nfs/dbraw/zinc/25/76/55/406257655.db2.gz OEGARDBBAAKBRI-HNNXBMFYSA-N 1 0 311.470 2.341 10 30 DEEERO C=CCOc1ccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000634747917 406261856 /nfs/dbraw/zinc/26/18/56/406261856.db2.gz GBDPVZNDKCPQPF-HDICACEKSA-N 1 0 300.402 2.323 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000569931977 406322599 /nfs/dbraw/zinc/32/25/99/406322599.db2.gz RPKIKYUBIIUYFN-MMFDQKDXSA-N 1 0 307.438 2.191 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000637622081 406369791 /nfs/dbraw/zinc/36/97/91/406369791.db2.gz YHENZNAQRJOWDD-HUUCEWRRSA-N 1 0 311.470 2.075 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000571076913 406475967 /nfs/dbraw/zinc/47/59/67/406475967.db2.gz SSRJZJPRDWXBFD-MTSZKFMLSA-N 1 0 323.481 2.243 10 30 DEEERO CC1=CC[N@H+](CCNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000571312149 406504925 /nfs/dbraw/zinc/50/49/25/406504925.db2.gz HQVIZUJOBAUHOH-UHFFFAOYSA-N 1 0 324.428 2.499 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H]2CCCOC2)CC1 ZINC000527729040 406731339 /nfs/dbraw/zinc/73/13/39/406731339.db2.gz JXCFABJRGGJHEZ-OAHLLOKOSA-N 1 0 309.454 2.143 10 30 DEEERO C=CC[C@H]1CCCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638409941 406755148 /nfs/dbraw/zinc/75/51/48/406755148.db2.gz SYABZYNEAXLPNI-FUHWJXTLSA-N 1 0 315.461 2.260 10 30 DEEERO COc1ccc(C#CC[NH3+])c(CSc2nc(C)ns2)c1 ZINC000130982915 196129386 /nfs/dbraw/zinc/12/93/86/196129386.db2.gz IDOOHLAEMYAZKR-UHFFFAOYSA-N 1 0 305.428 2.458 10 30 DEEERO Cc1cccc(C(=O)NCc2cc(C#CC[NH3+])cs2)c1F ZINC000132104963 196227080 /nfs/dbraw/zinc/22/70/80/196227080.db2.gz KXGYGIBIHLSRHP-UHFFFAOYSA-N 1 0 302.374 2.436 10 30 DEEERO [NH2+]=C(NCc1cc(F)c(Cl)cc1F)N1CCSCC1 ZINC000262715248 225282409 /nfs/dbraw/zinc/28/24/09/225282409.db2.gz DJPFKURBJFLDFW-UHFFFAOYSA-N 1 0 305.781 2.482 10 30 DEEERO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000262754247 225283603 /nfs/dbraw/zinc/28/36/03/225283603.db2.gz CUXIHCHGAPDHSD-OFQRWUPVSA-N 1 0 319.453 2.027 10 30 DEEERO C[C@H]1CCCN(C(=[NH2+])NCc2ccn(Cc3ccccc3)n2)C1 ZINC000261693433 225253759 /nfs/dbraw/zinc/25/37/59/225253759.db2.gz BLBXTMUIPVLKEC-HNNXBMFYSA-N 1 0 311.433 2.478 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000333254649 226104343 /nfs/dbraw/zinc/10/43/43/226104343.db2.gz SPQYCPGSERWQLZ-ZFWWWQNUSA-N 1 0 304.438 2.242 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000333747569 226110178 /nfs/dbraw/zinc/11/01/78/226110178.db2.gz YYUAMCMMYNNWBC-HOTGVXAUSA-N 1 0 319.449 2.220 10 30 DEEERO Cc1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc1C#N ZINC000302676317 230344512 /nfs/dbraw/zinc/34/45/12/230344512.db2.gz UMJYAPFIHIZWKC-CQSZACIVSA-N 1 0 300.406 2.175 10 30 DEEERO Cc1cc(C#N)cc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000601119904 422418839 /nfs/dbraw/zinc/41/88/39/422418839.db2.gz YNAUIDHCZCKIHN-IBGZPJMESA-N 1 0 322.412 2.311 10 30 DEEERO N#Cc1cc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)ncn1 ZINC000379661186 424907585 /nfs/dbraw/zinc/90/75/85/424907585.db2.gz DOTJMNHJKBTTTQ-QGZVFWFLSA-N 1 0 307.401 2.815 10 30 DEEERO Cc1cc(C#N)nc(NC[C@@H](C(C)C)[NH+]2CCCCCC2)n1 ZINC000561102754 424889983 /nfs/dbraw/zinc/88/99/83/424889983.db2.gz XPRFJTMPHOQHLZ-INIZCTEOSA-N 1 0 301.438 2.969 10 30 DEEERO C=CCC1(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCOCC1 ZINC000424666614 424993433 /nfs/dbraw/zinc/99/34/33/424993433.db2.gz OAMWEIPHNULMNU-UHFFFAOYSA-N 1 0 312.373 2.579 10 30 DEEERO C[NH+]=C(NC1CCC1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000261849426 276840547 /nfs/dbraw/zinc/84/05/47/276840547.db2.gz XUMWRJKHFWPHCI-LBPRGKRZSA-N 1 0 308.376 2.261 10 30 DEEERO CC[NH+]=C(NCC1(C)CCCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261669120 278166586 /nfs/dbraw/zinc/16/65/86/278166586.db2.gz BVJBCRFSQRYAAB-GOSISDBHSA-N 1 0 320.481 2.134 10 30 DEEERO Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@@H]([NH+](C)C)C3)C2)c1 ZINC000329073503 293004218 /nfs/dbraw/zinc/00/42/18/293004218.db2.gz OVSJLEYVSVWOOP-BZUAXINKSA-N 1 0 319.453 2.225 10 30 DEEERO C=CCCCCCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000584300658 332228561 /nfs/dbraw/zinc/22/85/61/332228561.db2.gz XHNHKJHCXLHFKI-OAHLLOKOSA-N 1 0 311.470 2.219 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000572602082 332657878 /nfs/dbraw/zinc/65/78/78/332657878.db2.gz IFYHRYCVFJKUBA-CVEARBPZSA-N 1 0 307.434 2.250 10 30 DEEERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000185345801 333207127 /nfs/dbraw/zinc/20/71/27/333207127.db2.gz MYMMYIOGYOECJX-QGZVFWFLSA-N 1 0 317.433 2.272 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)c2ncc3cc(Cl)ccn32)CC1 ZINC000583702094 337094869 /nfs/dbraw/zinc/09/48/69/337094869.db2.gz JNPPGBZPCDXGDK-UHFFFAOYSA-N 1 0 318.808 2.368 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCCc2csc(C(C)(C)C)n2)CCO1 ZINC000262421956 534270932 /nfs/dbraw/zinc/27/09/32/534270932.db2.gz BKBRHCBNQQNJOO-LLVKDONJSA-N 1 0 310.467 2.019 10 30 DEEERO Cn1c2ccccc2cc(CNC(=[NH2+])NC2CCCCC2)c1=O ZINC000262508664 534712713 /nfs/dbraw/zinc/71/27/13/534712713.db2.gz AUILGVSVUPMQBI-UHFFFAOYSA-N 1 0 312.417 2.276 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418584931 526343387 /nfs/dbraw/zinc/34/33/87/526343387.db2.gz CUFBRLPVBYGYKR-WMLDXEAASA-N 1 0 312.417 2.254 10 30 DEEERO C[NH+]=C(NCC(=O)OC(C)(C)C)N[C@H]1CCc2ccccc2C1 ZINC000262420370 526349110 /nfs/dbraw/zinc/34/91/10/526349110.db2.gz FHQARDFNKOSNBX-HNNXBMFYSA-N 1 0 317.433 2.051 10 30 DEEERO C[NH+]=C(NCCc1cc(F)ccc1F)N(C)Cc1ccon1 ZINC000261695073 526364668 /nfs/dbraw/zinc/36/46/68/526364668.db2.gz FNVCFVKLIQEXDY-UHFFFAOYSA-N 1 0 308.332 2.203 10 30 DEEERO C[NH+]=C(NCCc1sc(C)nc1C)N(C)Cc1ccc[nH]1 ZINC000262777600 526366865 /nfs/dbraw/zinc/36/68/65/526366865.db2.gz KGHKUXXUNBBUSF-UHFFFAOYSA-N 1 0 305.451 2.338 10 30 DEEERO C[NH+]=C(NCc1cc(F)cc(F)c1)N1CC[C@]2(CCOC2)C1 ZINC000261661114 526381368 /nfs/dbraw/zinc/38/13/68/526381368.db2.gz ARJRVVZZTDLROV-INIZCTEOSA-N 1 0 309.360 2.153 10 30 DEEERO C[NH+]=C(NCc1nnc(C(C)C)s1)NCc1ncccc1C ZINC000261859437 526390926 /nfs/dbraw/zinc/39/09/26/526390926.db2.gz ZBSDCSXOSPWYIW-UHFFFAOYSA-N 1 0 318.450 2.230 10 30 DEEERO C[NH+]=C(N[C@H]1CC1(C)C)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261969735 526395857 /nfs/dbraw/zinc/39/58/57/526395857.db2.gz MLYIUBPPYDYBTO-HIFRSBDPSA-N 1 0 303.454 2.285 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)c2cc(Cl)c(O)c(OC)c2)CC1 ZINC000442641354 526446532 /nfs/dbraw/zinc/44/65/32/526446532.db2.gz ALKJMOIUAXKYGV-UHFFFAOYSA-N 1 0 324.808 2.434 10 30 DEEERO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2Cc2ccccc2OC)C1=O ZINC000337145945 526507993 /nfs/dbraw/zinc/50/79/93/526507993.db2.gz XUXYKYCVIQPHRD-IRXDYDNUSA-N 1 0 314.429 2.489 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@H](c2ccccc2)[C@H]2CCOC2)C1=O ZINC000337175033 526515353 /nfs/dbraw/zinc/51/53/53/526515353.db2.gz HSIVWQIRXCKWGO-YESZJQIVSA-N 1 0 300.402 2.141 10 30 DEEERO C=C(C)Cn1c(C2CC2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000338804605 526724828 /nfs/dbraw/zinc/72/48/28/526724828.db2.gz CCNPEIWWWPSVSC-OAHLLOKOSA-N 1 0 301.438 2.406 10 30 DEEERO C=CCOCCNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000378598403 526779635 /nfs/dbraw/zinc/77/96/35/526779635.db2.gz UQEMLFMULMLTDE-NVXWUHKLSA-N 1 0 317.433 2.151 10 30 DEEERO C=CCOc1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000418163757 526881223 /nfs/dbraw/zinc/88/12/23/526881223.db2.gz HSDGRKJZUGAXBN-BBRMVZONSA-N 1 0 303.406 2.049 10 30 DEEERO C=CCOc1cccnc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000341420596 526961249 /nfs/dbraw/zinc/96/12/49/526961249.db2.gz NRHQSTBHUKFAGG-AWEZNQCLSA-N 1 0 303.406 2.251 10 30 DEEERO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000249856715 527017609 /nfs/dbraw/zinc/01/76/09/527017609.db2.gz DHWPIKJBHOJOPD-CHWSQXEVSA-N 1 0 305.447 2.023 10 30 DEEERO C#CCO[C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000294792526 527073495 /nfs/dbraw/zinc/07/34/95/527073495.db2.gz SUHDZQGSJRPRIR-FUHWJXTLSA-N 1 0 314.429 2.196 10 30 DEEERO C#CCO[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000294792525 527081585 /nfs/dbraw/zinc/08/15/85/527081585.db2.gz SUHDZQGSJRPRIR-AEFFLSMTSA-N 1 0 314.429 2.196 10 30 DEEERO C=CC[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000368815218 527097792 /nfs/dbraw/zinc/09/77/92/527097792.db2.gz AMOATRAPTLLAGC-ZWKOTPCHSA-N 1 0 316.445 2.403 10 30 DEEERO C=CCCCCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000410735591 527116965 /nfs/dbraw/zinc/11/69/65/527116965.db2.gz YPNOTXLWDYZUIW-CVEARBPZSA-N 1 0 323.481 2.132 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411264544 527180702 /nfs/dbraw/zinc/18/07/02/527180702.db2.gz WVUTXDFYXWUWBB-UHFFFAOYSA-N 1 0 317.433 2.420 10 30 DEEERO C=CCCC[C@H](C)[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000340873085 527275430 /nfs/dbraw/zinc/27/54/30/527275430.db2.gz DCFYVFAISQFTMH-LSDHHAIUSA-N 1 0 314.437 2.380 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](CCCC)CC1 ZINC000425562337 527496144 /nfs/dbraw/zinc/49/61/44/527496144.db2.gz FPMGYPRQIASYIR-HOCLYGCPSA-N 1 0 309.454 2.141 10 30 DEEERO CC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1 ZINC000334110406 527854690 /nfs/dbraw/zinc/85/46/90/527854690.db2.gz BGUYGXMFOBCOME-IKGGRYGDSA-N 1 0 312.417 2.029 10 30 DEEERO CCOc1cc2c(cc1CNC(N[C@@H]1C[C@@H]1C)=[NH+]C)O[C@@H](C)C2 ZINC000262173353 528338469 /nfs/dbraw/zinc/33/84/69/528338469.db2.gz CSSLDAZUALGBNI-SLEUVZQESA-N 1 0 317.433 2.482 10 30 DEEERO CC[NH+]=C(NCC(C)(C)OC)N[C@H]1CCOc2ccccc21 ZINC000262336820 528802821 /nfs/dbraw/zinc/80/28/21/528802821.db2.gz BXFHLRKNSZWUIV-AWEZNQCLSA-N 1 0 305.422 2.490 10 30 DEEERO CC[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N[C@@H]1C[C@H]1C ZINC000262855882 528812823 /nfs/dbraw/zinc/81/28/23/528812823.db2.gz YCFJJDYGJHJZRT-VNHYZAJKSA-N 1 0 320.506 2.458 10 30 DEEERO CCNC(=O)N1CCC([NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)CC1 ZINC000328639227 528823161 /nfs/dbraw/zinc/82/31/61/528823161.db2.gz WTMZDXWHLLSAIB-HIFRSBDPSA-N 1 0 311.470 2.426 10 30 DEEERO CCNC(=[NH2+])N[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000262529999 528942149 /nfs/dbraw/zinc/94/21/49/528942149.db2.gz NBIOISOYIRJJEH-VHRBIJSZSA-N 1 0 303.406 2.189 10 30 DEEERO C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000249109002 536457562 /nfs/dbraw/zinc/45/75/62/536457562.db2.gz QIIREPMTIDNWJA-IAGOWNOFSA-N 1 0 306.369 2.128 10 30 DEEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CCC[C@@H]1C#N ZINC000261651007 623988832 /nfs/dbraw/zinc/98/88/32/623988832.db2.gz MPUPVJRAVSRUCL-JKJDWNRSSA-N 1 0 316.449 2.191 10 30 DEEERO C#CC[N@@H+](CC(=O)NCCOc1ccc(F)cc1)C1CCCC1 ZINC000155773126 625141917 /nfs/dbraw/zinc/14/19/17/625141917.db2.gz HRCMNMYSIBHSBD-UHFFFAOYSA-N 1 0 318.392 2.199 10 30 DEEERO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N(C)Cc1ccc[nH]1 ZINC000262383384 639040432 /nfs/dbraw/zinc/04/04/32/639040432.db2.gz KVAHAVVKUUTOAQ-ZNMIVQPWSA-N 1 0 304.438 2.226 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000321043346 639905637 /nfs/dbraw/zinc/90/56/37/639905637.db2.gz TXSFRSFLBDIVBC-OLZOCXBDSA-N 1 0 300.196 2.009 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000804456275 645774288 /nfs/dbraw/zinc/77/42/88/645774288.db2.gz WCASZPMRKPTBEQ-SJORKVTESA-N 1 0 316.470 2.175 10 30 DEEERO Cc1ccc(CNC(=[NH2+])NC2CC2)c(OC[C@@H]2CCCO2)c1 ZINC000305008017 685264166 /nfs/dbraw/zinc/26/41/66/685264166.db2.gz QBPKXKZQNUWEEB-HNNXBMFYSA-N 1 0 303.406 2.120 10 30 DEEERO C=CCC[C@H](O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119036410 684076441 /nfs/dbraw/zinc/07/64/41/684076441.db2.gz RVENQJDYFUWQBN-WFASDCNBSA-N 1 0 312.435 2.036 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]C[C@H](O)c3cccc(F)c3)n2c1 ZINC000123470008 684125206 /nfs/dbraw/zinc/12/52/06/684125206.db2.gz ITADIFLJBFLRQM-INIZCTEOSA-N 1 0 310.332 2.168 10 30 DEEERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000135264330 684233674 /nfs/dbraw/zinc/23/36/74/684233674.db2.gz WLAUEILDLQDXAF-CYBMUJFWSA-N 1 0 320.368 2.334 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cn2ccnc2s1 ZINC000190831966 684414783 /nfs/dbraw/zinc/41/47/83/684414783.db2.gz KGVXBKJIRADWDU-GFCCVEGCSA-N 1 0 305.403 2.286 10 30 DEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccccc1OCC#N ZINC000194920335 685080981 /nfs/dbraw/zinc/08/09/81/685080981.db2.gz KAOIKKNMWZTGGD-AWEZNQCLSA-N 1 0 303.406 2.295 10 30 DEEERO C=C(Br)CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246359793 685128697 /nfs/dbraw/zinc/12/86/97/685128697.db2.gz GMXLTMFSCDAWSZ-JQWIXIFHSA-N 1 0 318.259 2.267 10 30 DEEERO CCN(CCNC(=[NH2+])NC1CCCCC1)C(=O)OC(C)(C)C ZINC000303971770 685241242 /nfs/dbraw/zinc/24/12/42/685241242.db2.gz DZYXRAPMKRIPSW-UHFFFAOYSA-N 1 0 312.458 2.480 10 30 DEEERO Cc1nnc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2cc(C#N)cs2)o1 ZINC000886058474 691994956 /nfs/dbraw/zinc/99/49/56/691994956.db2.gz PBATWJMTMDINML-RYUDHWBXSA-N 1 0 321.381 2.018 10 30 DEEERO C[C@]12CN(CCOCCC#N)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702314937 1086420571 /nfs/dbraw/zinc/42/05/71/1086420571.db2.gz ZNUQUBYPWHUYGX-RBUKOAKNSA-N 1 0 313.445 2.371 10 30 DEEERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CO1 ZINC000703346910 1086493455 /nfs/dbraw/zinc/49/34/55/1086493455.db2.gz SVVKWIWBQCDNJK-CQSZACIVSA-N 1 0 303.362 2.199 10 30 DEEERO COc1csc(C(=O)Nc2ccc(C#CC[NH3+])c(F)c2)c1 ZINC000162174359 197550266 /nfs/dbraw/zinc/55/02/66/197550266.db2.gz PPANNVVGLXAQPB-UHFFFAOYSA-N 1 0 304.346 2.458 10 30 DEEERO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C#N)cc1Br ZINC000087519760 185227426 /nfs/dbraw/zinc/22/74/26/185227426.db2.gz DPOUZDTYQWPYRY-SNVBAGLBSA-N 1 0 310.195 2.490 10 30 DEEERO C=CC[NH2+]CC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000092473980 185320743 /nfs/dbraw/zinc/32/07/43/185320743.db2.gz LRXMEYBQIAGMRQ-NSHDSACASA-N 1 0 311.223 2.272 10 30 DEEERO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(C#N)o2)CC1 ZINC000092665095 185332551 /nfs/dbraw/zinc/33/25/51/185332551.db2.gz FNOGBGXITDXGRU-HOTGVXAUSA-N 1 0 316.449 2.142 10 30 DEEERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCCC#N)CC1 ZINC000190502221 529840821 /nfs/dbraw/zinc/84/08/21/529840821.db2.gz PYAWNJVTPNEQDK-OAHLLOKOSA-N 1 0 309.454 2.418 10 30 DEEERO C=CCC1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCCCC1 ZINC000614514337 362399208 /nfs/dbraw/zinc/39/92/08/362399208.db2.gz MNLHXGIFAFNJLI-INIZCTEOSA-N 1 0 305.466 2.019 10 30 DEEERO C[NH+]1CCC(CCNC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441003925 530048873 /nfs/dbraw/zinc/04/88/73/530048873.db2.gz OYWVNKKQFQMQOK-UHFFFAOYSA-N 1 0 306.454 2.347 10 30 DEEERO Cc1ccc(C(=O)N2CCS[C@H](C)[C@H]2C)c(C#CC[NH3+])c1 ZINC000133673269 186005128 /nfs/dbraw/zinc/00/51/28/186005128.db2.gz MZSFCJKNHOWNPS-ZIAGYGMSSA-N 1 0 302.443 2.271 10 30 DEEERO C=CCN(C)S(=O)(=O)c1cc(C[NH2+]C(C)C)cc(F)c1F ZINC000139253122 186020613 /nfs/dbraw/zinc/02/06/13/186020613.db2.gz UACIBXPOVFXSNF-UHFFFAOYSA-N 1 0 318.389 2.269 10 30 DEEERO C=CCN(C)S(=O)(=O)c1cc(C[NH2+]C2CC2)cc(F)c1F ZINC000139255776 186020941 /nfs/dbraw/zinc/02/09/41/186020941.db2.gz LKBRWMUGRPPYKJ-UHFFFAOYSA-N 1 0 316.373 2.023 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000148986412 186046606 /nfs/dbraw/zinc/04/66/06/186046606.db2.gz XCGPIXYRJSXDBG-CQSZACIVSA-N 1 0 313.401 2.022 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1OC ZINC000159608621 186130585 /nfs/dbraw/zinc/13/05/85/186130585.db2.gz BKAHOIZMTJNPAT-UKRRQHHQSA-N 1 0 318.417 2.346 10 30 DEEERO C=CC[C@H]1CCCC[C@H]1NC(=O)CCN1CC[NH+](CC)CC1 ZINC000617040490 363006892 /nfs/dbraw/zinc/00/68/92/363006892.db2.gz VBVQXEIMAUDODU-DLBZAZTESA-N 1 0 307.482 2.265 10 30 DEEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626124405 366062962 /nfs/dbraw/zinc/06/29/62/366062962.db2.gz MQVXWDOJYDPZCL-OCCSQVGLSA-N 1 0 306.381 2.314 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000321030192 539898002 /nfs/dbraw/zinc/89/80/02/539898002.db2.gz QCDPCXXSIJZENZ-NWDGAFQWSA-N 1 0 320.216 2.260 10 30 DEEERO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cncc(F)c1 ZINC000329263055 539916338 /nfs/dbraw/zinc/91/63/38/539916338.db2.gz BOZGFWOBGVVXAO-LBPRGKRZSA-N 1 0 320.412 2.455 10 30 DEEERO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000329377854 539919264 /nfs/dbraw/zinc/91/92/64/539919264.db2.gz OSIVFNXGJQPWQY-QWHCGFSZSA-N 1 0 313.467 2.129 10 30 DEEERO CN(C(=O)CNC(=O)C1CCCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329684582 539926922 /nfs/dbraw/zinc/92/69/22/539926922.db2.gz ZPMWOHRXTMLPNK-OAHLLOKOSA-N 1 0 307.438 2.076 10 30 DEEERO C[C@H]1[NH2+]CCC[C@H]1Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000333468083 539960104 /nfs/dbraw/zinc/96/01/04/539960104.db2.gz DAFUUQACDIQXOL-CXAGYDPISA-N 1 0 323.444 3.036 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000029782902 354115975 /nfs/dbraw/zinc/11/59/75/354115975.db2.gz IFVZGUHWDZNUGS-ZDUSSCGKSA-N 1 0 313.401 2.069 10 30 DEEERO C=CCCCN(C)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000073846052 354986509 /nfs/dbraw/zinc/98/65/09/354986509.db2.gz BGSXIBYNKOTDMA-UHFFFAOYSA-N 1 0 316.449 2.018 10 30 DEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(C#N)cc1F ZINC000105721227 355721177 /nfs/dbraw/zinc/72/11/77/355721177.db2.gz RCTKWQMDKRMHNJ-OAHLLOKOSA-N 1 0 320.412 2.473 10 30 DEEERO C=CCOc1ccc(CN2CC[NH+]([C@H](CC)CO)CC2)cc1 ZINC000093739708 355686073 /nfs/dbraw/zinc/68/60/73/355686073.db2.gz KLLWWKUYSUUBRK-QGZVFWFLSA-N 1 0 304.434 2.140 10 30 DEEERO C[NH+](C)CCn1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000180065542 356041290 /nfs/dbraw/zinc/04/12/90/356041290.db2.gz RFBYOVQMRUZOKH-UHFFFAOYSA-N 1 0 323.400 2.252 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185263706 356204596 /nfs/dbraw/zinc/20/45/96/356204596.db2.gz LMTIGOYKCGFKEI-KRWDZBQOSA-N 1 0 317.433 2.019 10 30 DEEERO COc1ccc(C#N)cc1C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328630130 356464169 /nfs/dbraw/zinc/46/41/69/356464169.db2.gz JBBFTAVHNBJAOM-OAHLLOKOSA-N 1 0 310.401 2.458 10 30 DEEERO C=CCC(C)(C)C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000579583143 356996959 /nfs/dbraw/zinc/99/69/59/356996959.db2.gz FGEQSMLBEFYTIH-CYBMUJFWSA-N 1 0 307.390 2.347 10 30 DEEERO N#Cc1cnc2ccccc2c1NC[C@H](O)C[NH+]1CCCCC1 ZINC000174686414 283243255 /nfs/dbraw/zinc/24/32/55/283243255.db2.gz FDUNNLNXUADXFB-HNNXBMFYSA-N 1 0 310.401 2.365 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C)c1ccc(C#N)nc1 ZINC000585790546 357356436 /nfs/dbraw/zinc/35/64/36/357356436.db2.gz SLOKOCUYIJFCRB-KBXCAEBGSA-N 1 0 324.432 2.206 10 30 DEEERO C=C(C)[C@H](CO)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000590703149 357586357 /nfs/dbraw/zinc/58/63/57/357586357.db2.gz PXMLYMWFEFMQOS-KRWDZBQOSA-N 1 0 313.401 2.146 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000591671318 357749605 /nfs/dbraw/zinc/74/96/05/357749605.db2.gz JLTGDIISILWJQX-MRXNPFEDSA-N 1 0 303.362 2.109 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592168350 357845088 /nfs/dbraw/zinc/84/50/88/357845088.db2.gz KOHVDKKHQVAYDA-TUVASFSCSA-N 1 0 314.495 2.298 10 30 DEEERO N#Cc1ccc(OC2CCC([NH2+][C@H]3CCCOC3)CC2)nc1 ZINC000179594617 199060750 /nfs/dbraw/zinc/06/07/50/199060750.db2.gz JDKUHSRHIAJJKN-PCKAHOCUSA-N 1 0 301.390 2.412 10 30 DEEERO CC(=O)N(C)c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594428104 358266593 /nfs/dbraw/zinc/26/65/93/358266593.db2.gz ZGFOMQZHVSVXBI-OAHLLOKOSA-N 1 0 302.378 2.019 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000599363583 359478396 /nfs/dbraw/zinc/47/83/96/359478396.db2.gz RSBWZVLEEOHSKH-UHFFFAOYSA-N 1 0 320.389 2.145 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000186713801 199995922 /nfs/dbraw/zinc/99/59/22/199995922.db2.gz ZMTOBBDJEOULJW-SWLSCSKDSA-N 1 0 312.435 2.036 10 30 DEEERO COCC[N@@H+]1CCN(Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000186970687 200040499 /nfs/dbraw/zinc/04/04/99/200040499.db2.gz BUKNABMFRUAYQA-CYBMUJFWSA-N 1 0 307.825 2.364 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000627687924 366592829 /nfs/dbraw/zinc/59/28/29/366592829.db2.gz GHAYDXADHUJZQL-UHFFFAOYSA-N 1 0 317.433 2.405 10 30 DEEERO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccnc(C#N)c2)C1 ZINC000192718686 200928061 /nfs/dbraw/zinc/92/80/61/200928061.db2.gz RLFDFYSMVFMLIY-KBPBESRZSA-N 1 0 300.406 2.051 10 30 DEEERO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccnc(C#N)c1 ZINC000193479913 201059337 /nfs/dbraw/zinc/05/93/37/201059337.db2.gz IYHKRTOEHSQVQC-UHFFFAOYSA-N 1 0 314.414 2.219 10 30 DEEERO C=CCSCCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610477835 361405133 /nfs/dbraw/zinc/40/51/33/361405133.db2.gz AOGXCRNTBNXDFO-UHFFFAOYSA-N 1 0 303.391 2.308 10 30 DEEERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccnc(C#N)c1 ZINC000193759352 201117985 /nfs/dbraw/zinc/11/79/85/201117985.db2.gz NSEZEYYJVGGXLF-AWEZNQCLSA-N 1 0 308.385 2.204 10 30 DEEERO C[NH+](C)[C@H](CNC(=O)c1ccnc(C#N)c1)c1cccs1 ZINC000195022361 201328857 /nfs/dbraw/zinc/32/88/57/201328857.db2.gz SIQRPTPHUUZALW-CYBMUJFWSA-N 1 0 300.387 2.047 10 30 DEEERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)N(CCC#N)c1ccccc1 ZINC000193126551 299344064 /nfs/dbraw/zinc/34/40/64/299344064.db2.gz OHVHMGWDWSFYKI-YQQAZPJKSA-N 1 0 315.417 2.479 10 30 DEEERO C=CCC(C)(C)CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000624112548 365293382 /nfs/dbraw/zinc/29/33/82/365293382.db2.gz BTKXOBUHGINVOY-UHFFFAOYSA-N 1 0 323.481 2.485 10 30 DEEERO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(C#N)n1C ZINC000449898183 241229750 /nfs/dbraw/zinc/22/97/50/241229750.db2.gz DCJIHLMOQNPFFN-HNNXBMFYSA-N 1 0 322.412 2.243 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N([C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000630966393 367940135 /nfs/dbraw/zinc/94/01/35/367940135.db2.gz XDINFIJPTJNOKI-HOTGVXAUSA-N 1 0 313.401 2.148 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(CCC[N@@H+](C)Cc2ccccc2)C1=O ZINC000630965454 367940478 /nfs/dbraw/zinc/94/04/78/367940478.db2.gz RRFXOECSOWQDDG-MRXNPFEDSA-N 1 0 315.417 2.395 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(Cc2cccc(C[NH+](C)C)c2)C1=O ZINC000630969979 367943102 /nfs/dbraw/zinc/94/31/02/367943102.db2.gz ISEXCVHOBRNXBM-OAHLLOKOSA-N 1 0 301.390 2.135 10 30 DEEERO N#Cc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c(Br)c1 ZINC000092203380 193172878 /nfs/dbraw/zinc/17/28/78/193172878.db2.gz FSENQCAVARVWLK-NXEZZACHSA-N 1 0 306.163 2.163 10 30 DEEERO CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(C#CC[NH3+])cc1 ZINC000093265090 193222457 /nfs/dbraw/zinc/22/24/57/193222457.db2.gz XIEQRCJQYYZVJD-AWEZNQCLSA-N 1 0 308.447 2.054 10 30 DEEERO CC[NH+](CC)C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093693145 193290939 /nfs/dbraw/zinc/29/09/39/193290939.db2.gz JBOLNUIIUOTOMI-INIZCTEOSA-N 1 0 311.433 2.370 10 30 DEEERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCO[C@H](C#N)C1 ZINC000093931141 193329621 /nfs/dbraw/zinc/32/96/21/193329621.db2.gz VTWRJYXFJNIVNJ-ZLKJLUDKSA-N 1 0 324.222 2.062 10 30 DEEERO C[C@@H](CCc1ccco1)NC(=O)c1csc(C#CC[NH3+])c1 ZINC000093976114 193333305 /nfs/dbraw/zinc/33/33/05/193333305.db2.gz PXZQNRZTKYNOJM-LBPRGKRZSA-N 1 0 302.399 2.402 10 30 DEEERO Cc1cc(C(=O)N(C)CCC(F)(F)F)sc1C#CC[NH3+] ZINC000094536961 193377902 /nfs/dbraw/zinc/37/79/02/193377902.db2.gz BKRGKTVVUXTYEG-UHFFFAOYSA-N 1 0 304.337 2.391 10 30 DEEERO C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000453448357 245148718 /nfs/dbraw/zinc/14/87/18/245148718.db2.gz YKFGZLVZUWMNTF-OAHLLOKOSA-N 1 0 319.453 2.238 10 30 DEEERO C=CCN(C(C)(C)C)S(=O)(=O)c1ccc(C[NH2+]C)s1 ZINC000159888998 197370859 /nfs/dbraw/zinc/37/08/59/197370859.db2.gz JSUYUHWIPMPOTR-UHFFFAOYSA-N 1 0 302.465 2.443 10 30 DEEERO CCN(C[C@@H](C)C#N)S(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000042448368 183272250 /nfs/dbraw/zinc/27/22/50/183272250.db2.gz UPHMZQHYSSJJCS-QWHCGFSZSA-N 1 0 309.435 2.137 10 30 DEEERO CC(C)CN(C(C)C)S(=O)(=O)c1ccccc1C#CC[NH3+] ZINC000042598238 183289725 /nfs/dbraw/zinc/28/97/25/183289725.db2.gz QFRXFIFPNXTAKF-UHFFFAOYSA-N 1 0 308.447 2.052 10 30 DEEERO OCCC#Cc1csc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062967939 184263351 /nfs/dbraw/zinc/26/33/51/184263351.db2.gz OZLGWJUUDBEFGW-MRXNPFEDSA-N 1 0 304.459 2.152 10 30 DEEERO C=C(C)COc1ccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000066214108 184397286 /nfs/dbraw/zinc/39/72/86/184397286.db2.gz BRAGZLLZKUKUGT-INIZCTEOSA-N 1 0 304.390 2.349 10 30 DEEERO C=C(C)COc1cc(C[NH2+][C@H]2CCC(=O)N(C)C2)ccc1OC ZINC000119960311 195070341 /nfs/dbraw/zinc/07/03/41/195070341.db2.gz LHRNBFFSVFCBFE-HNNXBMFYSA-N 1 0 318.417 2.361 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]Cc3ccc4c(c3)OCO4)n2c1 ZINC000123142604 195548078 /nfs/dbraw/zinc/54/80/78/195548078.db2.gz KGBNDUVYFWPGMV-UHFFFAOYSA-N 1 0 306.325 2.224 10 30 DEEERO COCc1nc(CNC2=[NH+]C[C@@H](C)N2)c(-c2ccccc2)s1 ZINC000262646722 533279754 /nfs/dbraw/zinc/27/97/54/533279754.db2.gz JHZFJVQPWJJDTH-LLVKDONJSA-N 1 0 316.430 2.394 10 30 DEEERO CN(C)c1noc(C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000189537093 145029528 /nfs/dbraw/zinc/02/95/28/145029528.db2.gz AHDPGDORAZQLLF-UHFFFAOYSA-N 1 0 311.389 2.387 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000247303387 145132474 /nfs/dbraw/zinc/13/24/74/145132474.db2.gz HBLSATPLBSKVOD-IJEWVQPXSA-N 1 0 315.417 2.124 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247382767 145135457 /nfs/dbraw/zinc/13/54/57/145135457.db2.gz LOXNJVLDYRRDOR-YCPHGPKFSA-N 1 0 315.417 2.267 10 30 DEEERO N#Cc1ccc([C@@H](O)C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000127472776 401736423 /nfs/dbraw/zinc/73/64/23/401736423.db2.gz BTVRORXCLMFAFO-SFHVURJKSA-N 1 0 310.401 2.200 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000128277372 401770080 /nfs/dbraw/zinc/77/00/80/401770080.db2.gz PXYZELVKIIQBNN-PBHICJAKSA-N 1 0 314.433 2.430 10 30 DEEERO CC[C@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000128459159 401777785 /nfs/dbraw/zinc/77/77/85/401777785.db2.gz BYXOJNOUOIWMBY-AWEZNQCLSA-N 1 0 306.431 2.454 10 30 DEEERO CN(C)c1ccc(/C=[NH+]\N2CCN(c3ccccn3)CC2)cc1 ZINC000013113998 401796589 /nfs/dbraw/zinc/79/65/89/401796589.db2.gz IQDQGFAOGRFRBO-HKWRFOASSA-N 1 0 309.417 2.304 10 30 DEEERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)cn1 ZINC000116311336 401848657 /nfs/dbraw/zinc/84/86/57/401848657.db2.gz LXFZATLQHULHFL-OAHLLOKOSA-N 1 0 323.400 2.110 10 30 DEEERO CN1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCC1=O ZINC000119963309 401973260 /nfs/dbraw/zinc/97/32/60/401973260.db2.gz PAMNLKWYWBKZFC-OAHLLOKOSA-N 1 0 301.390 2.080 10 30 DEEERO C=CCC[C@H](O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000121360725 402030821 /nfs/dbraw/zinc/03/08/21/402030821.db2.gz ZHHQLKUQJBXGLE-HNNXBMFYSA-N 1 0 300.406 2.236 10 30 DEEERO N#Cc1ccc(OCC[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152538705 402099656 /nfs/dbraw/zinc/09/96/56/402099656.db2.gz WTJWOCUYCVGPJN-SFHVURJKSA-N 1 0 309.369 2.485 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123791254 402146164 /nfs/dbraw/zinc/14/61/64/402146164.db2.gz PPCNCDRNTOGRFN-GDBMZVCRSA-N 1 0 317.433 2.360 10 30 DEEERO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1cnc(C#N)cn1 ZINC000125346889 402226754 /nfs/dbraw/zinc/22/67/54/402226754.db2.gz GTAWRQQOEUZXDO-HNNXBMFYSA-N 1 0 307.401 2.449 10 30 DEEERO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COC(C)(C)C ZINC000069520876 402228477 /nfs/dbraw/zinc/22/84/77/402228477.db2.gz JLVTUXAWHWOQDO-QGZVFWFLSA-N 1 0 320.433 2.183 10 30 DEEERO C[N@H+](CCCOc1cccc(C#N)c1)CC(=O)NC(C)(C)C ZINC000155490311 402258556 /nfs/dbraw/zinc/25/85/56/402258556.db2.gz PZQUMWBVJWBTRQ-UHFFFAOYSA-N 1 0 303.406 2.174 10 30 DEEERO C=CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176628961 402324781 /nfs/dbraw/zinc/32/47/81/402324781.db2.gz QHIHCENFTVLYTE-KRWDZBQOSA-N 1 0 322.474 2.346 10 30 DEEERO CC[C@@H](O)C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177194937 402380369 /nfs/dbraw/zinc/38/03/69/402380369.db2.gz NGEQTNOZAOWAKD-QGZVFWFLSA-N 1 0 306.837 2.080 10 30 DEEERO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186016021 402396379 /nfs/dbraw/zinc/39/63/79/402396379.db2.gz LERJNXYNEYGIJL-XJKCOSOUSA-N 1 0 310.405 2.280 10 30 DEEERO Cc1cc(C#N)ccc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000186206320 402410358 /nfs/dbraw/zinc/41/03/58/402410358.db2.gz KUSBCWRKPBBITP-UHFFFAOYSA-N 1 0 307.401 2.369 10 30 DEEERO COc1cc(C#N)ccc1OCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177751633 402432547 /nfs/dbraw/zinc/43/25/47/402432547.db2.gz PWRNUOKRXJOPJP-MRXNPFEDSA-N 1 0 315.417 2.116 10 30 DEEERO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](C)CS(C)(=O)=O ZINC000162864229 402434914 /nfs/dbraw/zinc/43/49/14/402434914.db2.gz WRJZEGPTLULABW-AWEZNQCLSA-N 1 0 308.447 2.451 10 30 DEEERO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000245571842 402471610 /nfs/dbraw/zinc/47/16/10/402471610.db2.gz YBXNHTSQPHUTKC-QLFBSQMISA-N 1 0 303.406 2.225 10 30 DEEERO CN(C)C(=O)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000178293551 402481288 /nfs/dbraw/zinc/48/12/88/402481288.db2.gz LZMOZMFRGYQDBV-UHFFFAOYSA-N 1 0 315.417 2.127 10 30 DEEERO CC(C)[N@H+]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC000188365139 402519617 /nfs/dbraw/zinc/51/96/17/402519617.db2.gz MMFMRRUTAHBZMA-YOEHRIQHSA-N 1 0 311.429 2.435 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1OCC#N ZINC000246532210 402535581 /nfs/dbraw/zinc/53/55/81/402535581.db2.gz IRHKPFOCZXIWPH-CABCVRRESA-N 1 0 313.401 2.288 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248075182 402582311 /nfs/dbraw/zinc/58/23/11/402582311.db2.gz MVPMGZWKHVEGEO-BQFCYCMXSA-N 1 0 308.466 2.427 10 30 DEEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000273454632 403006376 /nfs/dbraw/zinc/00/63/76/403006376.db2.gz PLDGWPFWQABITI-PWSUYJOCSA-N 1 0 319.373 2.271 10 30 DEEERO C=CCOc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1OC ZINC000345685555 403436532 /nfs/dbraw/zinc/43/65/32/403436532.db2.gz ZKYHTPGBJQDYRO-UHFFFAOYSA-N 1 0 318.417 2.426 10 30 DEEERO N#Cc1cc(F)ccc1N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000301743953 403673813 /nfs/dbraw/zinc/67/38/13/403673813.db2.gz ZPPAMUBPNPCRPM-CVEARBPZSA-N 1 0 303.381 2.123 10 30 DEEERO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000305073611 403819683 /nfs/dbraw/zinc/81/96/83/403819683.db2.gz KFCQCOAHOUVEAZ-RDJZCZTQSA-N 1 0 318.417 2.425 10 30 DEEERO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)C2)C1 ZINC000334093428 403909903 /nfs/dbraw/zinc/90/99/03/403909903.db2.gz POFOBNGQXQQAGS-YQQAZPJKSA-N 1 0 304.438 2.196 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000362026943 403920275 /nfs/dbraw/zinc/92/02/75/403920275.db2.gz NRYMEHCEGFNOOA-CVEARBPZSA-N 1 0 315.417 2.314 10 30 DEEERO C=CCn1c(-c2ccccn2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000289854548 404004036 /nfs/dbraw/zinc/00/40/36/404004036.db2.gz YCWHEHGXBFLFIZ-HUUCEWRRSA-N 1 0 324.432 2.199 10 30 DEEERO C=C(C)CC[NH+]1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000352011874 404075180 /nfs/dbraw/zinc/07/51/80/404075180.db2.gz CXKNHUQFJHFOPJ-CQSZACIVSA-N 1 0 308.426 2.251 10 30 DEEERO C#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)cc1 ZINC000290200737 404079715 /nfs/dbraw/zinc/07/97/15/404079715.db2.gz CZPVHMVGIJCAJX-LJQANCHMSA-N 1 0 306.409 2.457 10 30 DEEERO CCn1cc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cn1 ZINC000328615586 404114562 /nfs/dbraw/zinc/11/45/62/404114562.db2.gz AXVSWHZKCSDEFZ-HOCLYGCPSA-N 1 0 313.405 2.296 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1 ZINC000344546126 404218734 /nfs/dbraw/zinc/21/87/34/404218734.db2.gz KNGHKQZETCFUJJ-LXZKKBNFSA-N 1 0 300.402 2.350 10 30 DEEERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000328927889 404175181 /nfs/dbraw/zinc/17/51/81/404175181.db2.gz GDSQGQHKXMQBAT-IIAWOOMASA-N 1 0 320.437 2.329 10 30 DEEERO C=CCOc1cccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 ZINC000344514314 404195664 /nfs/dbraw/zinc/19/56/64/404195664.db2.gz MKLKGGHAFQMQER-YSVLISHTSA-N 1 0 300.402 2.350 10 30 DEEERO CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000329523414 404365207 /nfs/dbraw/zinc/36/52/07/404365207.db2.gz PWQXJDXHJXYEGW-IHRRRGAJSA-N 1 0 319.453 2.403 10 30 DEEERO C=C[C@](C)(O)CC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000356051172 404387705 /nfs/dbraw/zinc/38/77/05/404387705.db2.gz JZUWEFSHQQTTOI-YOEHRIQHSA-N 1 0 304.390 2.337 10 30 DEEERO C=C(C)C[N@@H+](C)CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000351067490 404508649 /nfs/dbraw/zinc/50/86/49/404508649.db2.gz VUWGYWVPVXIDLV-KRWDZBQOSA-N 1 0 315.461 2.400 10 30 DEEERO C=CCn1c(CC(C)C)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000350729209 404452674 /nfs/dbraw/zinc/45/26/74/404452674.db2.gz IWIDVNCDDCXILJ-OAHLLOKOSA-N 1 0 303.454 2.336 10 30 DEEERO CC(C)(C)n1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)nn1 ZINC000330073591 404544798 /nfs/dbraw/zinc/54/47/98/404544798.db2.gz ZZIFCQQSKOBVHM-UHFFFAOYSA-N 1 0 305.426 2.355 10 30 DEEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)NC2CC[NH+](CC)CC2)cn1 ZINC000330254271 404603509 /nfs/dbraw/zinc/60/35/09/404603509.db2.gz AUIUXHBVNLINNU-JKSUJKDBSA-N 1 0 320.437 2.421 10 30 DEEERO CNC(=O)[C@]1(C)CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000330279243 404613440 /nfs/dbraw/zinc/61/34/40/404613440.db2.gz QSOYVCRVPGPIFZ-DSZSVDOYSA-N 1 0 322.453 2.214 10 30 DEEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)NCC[NH+]2CCCCC2)cn1 ZINC000330325280 404627475 /nfs/dbraw/zinc/62/74/75/404627475.db2.gz JDLJCZVATUJCGC-JKSUJKDBSA-N 1 0 320.437 2.423 10 30 DEEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000374071385 404684890 /nfs/dbraw/zinc/68/48/90/404684890.db2.gz ZAKWGPOHRSUBAR-BNEJOLLZSA-N 1 0 300.402 2.481 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000415415139 404859907 /nfs/dbraw/zinc/85/99/07/404859907.db2.gz HIAAXBAZXXZOQF-CYBMUJFWSA-N 1 0 317.433 2.283 10 30 DEEERO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000451608482 405014905 /nfs/dbraw/zinc/01/49/05/405014905.db2.gz SJJDEKCFVZUKAS-GUTXKFCHSA-N 1 0 318.442 2.447 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000424178539 405031361 /nfs/dbraw/zinc/03/13/61/405031361.db2.gz WLGAKUNVJXXLAK-BBRMVZONSA-N 1 0 304.390 2.065 10 30 DEEERO C=C(C)COCCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000417889630 405101299 /nfs/dbraw/zinc/10/12/99/405101299.db2.gz NNLIZBHTGVOZKE-UHFFFAOYSA-N 1 0 321.465 2.032 10 30 DEEERO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)ccc1C#N ZINC000407961152 405076273 /nfs/dbraw/zinc/07/62/73/405076273.db2.gz BHGWPNVSEKRGMQ-KURKYZTESA-N 1 0 300.402 2.229 10 30 DEEERO C=CCC1(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCOCC1 ZINC000424808980 405184652 /nfs/dbraw/zinc/18/46/52/405184652.db2.gz LNJSUQHADZWKAW-MRXNPFEDSA-N 1 0 306.450 2.492 10 30 DEEERO C=CCN(CCc1ccco1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418762901 405197584 /nfs/dbraw/zinc/19/75/84/405197584.db2.gz MTBOLJLUTXRVIO-ZDUSSCGKSA-N 1 0 313.348 2.017 10 30 DEEERO C=CCC1(C(=O)NC2CC[NH+](C3CCC3)CC2)CCOCC1 ZINC000424860392 405199064 /nfs/dbraw/zinc/19/90/64/405199064.db2.gz BTWGYSRKMCWZBF-UHFFFAOYSA-N 1 0 306.450 2.492 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000425860613 405324935 /nfs/dbraw/zinc/32/49/35/405324935.db2.gz UJNDUHAUAWQWLP-ULQDDVLXSA-N 1 0 321.465 2.237 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCC)CC[NH+]1CCCCC1 ZINC000425874673 405325804 /nfs/dbraw/zinc/32/58/04/405325804.db2.gz LKTODTMMOQPXKS-IRXDYDNUSA-N 1 0 323.481 2.485 10 30 DEEERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC1CCC(C#N)CC1 ZINC000443387190 405338867 /nfs/dbraw/zinc/33/88/67/405338867.db2.gz NLJHZWSXGGOOAU-DQPZFDDXSA-N 1 0 321.465 2.226 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000448763548 405445512 /nfs/dbraw/zinc/44/55/12/405445512.db2.gz IMQHRQPHIZMBAD-UHFFFAOYSA-N 1 0 302.422 2.091 10 30 DEEERO C=CCOCCNC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633159016 405473234 /nfs/dbraw/zinc/47/32/34/405473234.db2.gz DGVSLGLJDYCOJE-UHFFFAOYSA-N 1 0 309.454 2.239 10 30 DEEERO C=CC[C@]1(C(=O)NC[C@@]2(C)COc3ccccc3O2)CCC[NH2+]1 ZINC000638461047 405483441 /nfs/dbraw/zinc/48/34/41/405483441.db2.gz RFYAGHKIEFCDIG-ZWKOTPCHSA-N 1 0 316.401 2.031 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000450422605 405889307 /nfs/dbraw/zinc/88/93/07/405889307.db2.gz HHJLOYBOLVBGFM-UAGQMJEPSA-N 1 0 302.418 2.214 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC2(C1)CCCO2)C(C)C ZINC000636574269 406013895 /nfs/dbraw/zinc/01/38/95/406013895.db2.gz XUZNBJDXEAIFSW-MRXNPFEDSA-N 1 0 321.465 2.259 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](O)[C@H]1C)C(C)C ZINC000457738390 405977239 /nfs/dbraw/zinc/97/72/39/405977239.db2.gz GDNAFXSPMOQLBL-BRWVUGGUSA-N 1 0 323.481 2.240 10 30 DEEERO C=CCOc1ccc(CN2CC(C(=O)NCC)C2)cc1Cl ZINC000459611460 405983916 /nfs/dbraw/zinc/98/39/16/405983916.db2.gz SSTLHWSHZJSXMA-UHFFFAOYSA-N 1 0 308.809 2.473 10 30 DEEERO N#Cc1ccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)nc1 ZINC000562371947 405995726 /nfs/dbraw/zinc/99/57/26/405995726.db2.gz JUZGRPITNBMBBY-QGZVFWFLSA-N 1 0 306.369 2.016 10 30 DEEERO C=CCOc1ccc(C[NH2+]CCc2cn(C)cn2)cc1OC ZINC000459668850 406001519 /nfs/dbraw/zinc/00/15/19/406001519.db2.gz UMOJGUGBQRPYDG-UHFFFAOYSA-N 1 0 301.390 2.326 10 30 DEEERO C=CCCCCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000565225639 406071113 /nfs/dbraw/zinc/07/11/13/406071113.db2.gz RCOCDJCYJPHLFQ-UHFFFAOYSA-N 1 0 301.390 2.091 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000637321389 406257605 /nfs/dbraw/zinc/25/76/05/406257605.db2.gz GZSWQEFBAVYPGL-UHFFFAOYSA-N 1 0 323.481 2.343 10 30 DEEERO C=CCCCCC[NH+]1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000488174449 406299059 /nfs/dbraw/zinc/29/90/59/406299059.db2.gz WPZXYUKUEGYFSG-UHFFFAOYSA-N 1 0 303.454 2.411 10 30 DEEERO C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1COCCN1C ZINC000637446687 406309171 /nfs/dbraw/zinc/30/91/71/406309171.db2.gz LHRREKKXNHCBGD-MRXNPFEDSA-N 1 0 309.454 2.095 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000637622065 406369523 /nfs/dbraw/zinc/36/95/23/406369523.db2.gz XZIQGQLKYROXIU-HNNXBMFYSA-N 1 0 311.470 2.125 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000637623731 406369593 /nfs/dbraw/zinc/36/95/93/406369593.db2.gz LMULWMZNQKIWRX-HZPDHXFCSA-N 1 0 323.481 2.219 10 30 DEEERO C=CCCCCCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000572254289 406631769 /nfs/dbraw/zinc/63/17/69/406631769.db2.gz KJRDBSFVEVKYRU-UHFFFAOYSA-N 1 0 311.470 2.267 10 30 DEEERO C#C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000491793493 406723589 /nfs/dbraw/zinc/72/35/89/406723589.db2.gz LSUDKUGKPBRTDF-ZIAGYGMSSA-N 1 0 321.218 2.334 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000574150088 406779843 /nfs/dbraw/zinc/77/98/43/406779843.db2.gz XBFYSFRRKNHMBJ-INWMFGNUSA-N 1 0 324.446 2.300 10 30 DEEERO N#Cc1c(Cl)cccc1N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC000130842423 196115511 /nfs/dbraw/zinc/11/55/11/196115511.db2.gz YNODXDGYPVNIIK-CYBMUJFWSA-N 1 0 304.825 2.213 10 30 DEEERO N#Cc1cc(Cl)ccc1N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC000130866166 196117736 /nfs/dbraw/zinc/11/77/36/196117736.db2.gz NKKDRPFLZBRFDQ-OAHLLOKOSA-N 1 0 304.825 2.213 10 30 DEEERO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N(C)CCC#N)C12CCCC2 ZINC000131902044 196209180 /nfs/dbraw/zinc/20/91/80/196209180.db2.gz HCMHNZULBAIXKP-HZPDHXFCSA-N 1 0 321.465 2.418 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000132433369 196254888 /nfs/dbraw/zinc/25/48/88/196254888.db2.gz UHEWMPCQHKSMSH-KWQFWETISA-N 1 0 306.163 2.163 10 30 DEEERO C=CCCCN(C)S(=O)(=O)c1c(C)oc(C)c1C[NH2+]C ZINC000136056983 196517025 /nfs/dbraw/zinc/51/70/25/196517025.db2.gz VELIHQYMURFECG-UHFFFAOYSA-N 1 0 300.424 2.203 10 30 DEEERO C[S@](=O)Cc1ccc(CNC(=[NH2+])NC2CCCCC2)cc1 ZINC000262676694 225282101 /nfs/dbraw/zinc/28/21/01/225282101.db2.gz UFXKIZMNYWWNLU-NRFANRHFSA-N 1 0 307.463 2.302 10 30 DEEERO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000262826499 225286159 /nfs/dbraw/zinc/28/61/59/225286159.db2.gz YJSKZPQOJRZLGZ-GOEBONIOSA-N 1 0 319.453 2.027 10 30 DEEERO N#CC1CCC(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000372998176 227101635 /nfs/dbraw/zinc/10/16/35/227101635.db2.gz DVUZOODJXULDIQ-SSHXOBKSSA-N 1 0 304.438 2.242 10 30 DEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000261963596 275409363 /nfs/dbraw/zinc/40/93/63/275409363.db2.gz KXDHREHXKGSAPD-HUUCEWRRSA-N 1 0 320.481 2.131 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000346394819 277792244 /nfs/dbraw/zinc/79/22/44/277792244.db2.gz SMMNRAISEXOXBO-ULQDDVLXSA-N 1 0 306.450 2.158 10 30 DEEERO CC[NH+]=C(NCC1(C)CCCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261669122 278166411 /nfs/dbraw/zinc/16/64/11/278166411.db2.gz BVJBCRFSQRYAAB-SFHVURJKSA-N 1 0 320.481 2.134 10 30 DEEERO CC[NH+]=C(NCC(F)F)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000262002906 278166564 /nfs/dbraw/zinc/16/65/64/278166564.db2.gz UWSWSASEMQBLFE-LBPRGKRZSA-N 1 0 313.396 2.142 10 30 DEEERO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114494373 303152814 /nfs/dbraw/zinc/15/28/14/303152814.db2.gz IMMKTSFNOGGZLH-GOSISDBHSA-N 1 0 314.433 2.465 10 30 DEEERO CC[N@@H+]1CCC[C@H](CNC(=O)NCC2CCC(C#N)CC2)C1 ZINC000518472781 332061192 /nfs/dbraw/zinc/06/11/92/332061192.db2.gz MMXZKEAWDBNGIT-UYSNPLJNSA-N 1 0 306.454 2.347 10 30 DEEERO C=CCNC(=O)[C@H](C)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000159476068 332139711 /nfs/dbraw/zinc/13/97/11/332139711.db2.gz VPHSHSUVBVXIDS-GJZGRUSLSA-N 1 0 319.424 2.195 10 30 DEEERO C=CCOc1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000582595553 337111254 /nfs/dbraw/zinc/11/12/54/337111254.db2.gz ILXICPUWHDKGGF-IYBDPMFKSA-N 1 0 315.417 2.287 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000542321994 341004961 /nfs/dbraw/zinc/00/49/61/341004961.db2.gz FAZLOPQLVOAWCW-GOEBONIOSA-N 1 0 315.417 2.185 10 30 DEEERO N#CCCCOc1cccc(C[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000134426065 341215113 /nfs/dbraw/zinc/21/51/13/341215113.db2.gz VYKNBMZMKDLREY-SFHVURJKSA-N 1 0 318.417 2.248 10 30 DEEERO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000247451197 341365122 /nfs/dbraw/zinc/36/51/22/341365122.db2.gz HNEJQLJCLLMSKL-SJLPKXTDSA-N 1 0 321.465 2.464 10 30 DEEERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCC[C@H](C#N)C2)ncn1 ZINC000248877081 341389148 /nfs/dbraw/zinc/38/91/48/341389148.db2.gz JTDKOAVOIRJFMK-SOUVJXGZSA-N 1 0 314.437 2.159 10 30 DEEERO C=CCC[C@H](O)C[N@@H+](CCOC)Cc1ccc(OC)c(OC)c1 ZINC000036095706 518722420 /nfs/dbraw/zinc/72/24/20/518722420.db2.gz PIMIJDCBHIUZDC-INIZCTEOSA-N 1 0 323.433 2.479 10 30 DEEERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C#N)cc1 ZINC000106904827 522035086 /nfs/dbraw/zinc/03/50/86/522035086.db2.gz XTTBGPIYFUFYTH-SFHVURJKSA-N 1 0 307.397 2.347 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248950113 522044859 /nfs/dbraw/zinc/04/48/59/522044859.db2.gz CYEKIRYBIXFZBX-AGGWBTHJSA-N 1 0 304.390 2.179 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418401914 526348797 /nfs/dbraw/zinc/34/87/97/526348797.db2.gz IDWKZNAXCKVYLG-OAHLLOKOSA-N 1 0 320.393 2.276 10 30 DEEERO C[NH+]=C(NC[C@@H]1CC=CCC1)N1CC[C@H](Oc2ccccn2)C1 ZINC000262018498 526369111 /nfs/dbraw/zinc/36/91/11/526369111.db2.gz YHMOMYSDEQCOHN-CVEARBPZSA-N 1 0 314.433 2.466 10 30 DEEERO CC#CCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373382047 526374621 /nfs/dbraw/zinc/37/46/21/526374621.db2.gz FCBZRAWMQHGHTH-UHFFFAOYSA-N 1 0 317.355 2.114 10 30 DEEERO C[NH+]=C(NCc1nccn1C)N1CC[C@@](C)(c2ccccc2)C1 ZINC000261672684 526391009 /nfs/dbraw/zinc/39/10/09/526391009.db2.gz CGSFGYGWYYTUDO-GOSISDBHSA-N 1 0 311.433 2.159 10 30 DEEERO C[NH+]=C(NC[C@@H]1CCc2ccccc21)NC[C@@H]1CCC[C@@H]1O ZINC000262776329 526412798 /nfs/dbraw/zinc/41/27/98/526412798.db2.gz JIMDKTFWILRRJO-ZOBUZTSGSA-N 1 0 301.434 2.042 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)c2snnc2C(C)(C)C)CC1 ZINC000191955392 526450536 /nfs/dbraw/zinc/45/05/36/526450536.db2.gz CUKDGBGWVVXOPK-UHFFFAOYSA-N 1 0 308.451 2.216 10 30 DEEERO C=CCN1CC[C@@H]([N@H+]2CCN(c3ccccc3)C[C@H]2CC)C1=O ZINC000337205729 526480174 /nfs/dbraw/zinc/48/01/74/526480174.db2.gz LDRVBVIMSSLZSP-SJLPKXTDSA-N 1 0 313.445 2.374 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000246400793 526634120 /nfs/dbraw/zinc/63/41/20/526634120.db2.gz JKTZZYDWXUPHJF-UONOGXRCSA-N 1 0 318.417 2.184 10 30 DEEERO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248620880 526667061 /nfs/dbraw/zinc/66/70/61/526667061.db2.gz LKENKTDDLZNGBK-NVXWUHKLSA-N 1 0 313.445 2.458 10 30 DEEERO C#CCCCC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000192025155 526678002 /nfs/dbraw/zinc/67/80/02/526678002.db2.gz CMKZDYDDLBUFHN-IYBDPMFKSA-N 1 0 306.450 2.138 10 30 DEEERO C=CCNc1ncc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)s1 ZINC000245999089 526681123 /nfs/dbraw/zinc/68/11/23/526681123.db2.gz OCLJPVQWGJUBRK-STQMWFEESA-N 1 0 320.462 2.440 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368427598 526706121 /nfs/dbraw/zinc/70/61/21/526706121.db2.gz XKYXKTHROOEJNG-KRWDZBQOSA-N 1 0 321.509 2.465 10 30 DEEERO C#CCOc1ccccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000249443410 527134322 /nfs/dbraw/zinc/13/43/22/527134322.db2.gz MPEXCLGFBNSTDA-GJZGRUSLSA-N 1 0 313.401 2.399 10 30 DEEERO C#CCSCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245702130 527144936 /nfs/dbraw/zinc/14/49/36/527144936.db2.gz ZLFWVORUZKHSKZ-JKSUJKDBSA-N 1 0 317.458 2.097 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]([NH3+])CC ZINC000415778012 527257860 /nfs/dbraw/zinc/25/78/60/527257860.db2.gz DYZVOTAJEDHYGD-CQSZACIVSA-N 1 0 317.433 2.331 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccnc(C#N)c1)C(C)C ZINC000193250937 527647365 /nfs/dbraw/zinc/64/73/65/527647365.db2.gz PQERIPOBIASOQF-KRWDZBQOSA-N 1 0 312.417 2.382 10 30 DEEERO CCC1CCC(NC(NCc2nnc(C)n2C)=[NH+]C2CC2)CC1 ZINC000261994238 527842662 /nfs/dbraw/zinc/84/26/62/527842662.db2.gz RZWKANPIXUIZMR-UHFFFAOYSA-N 1 0 318.469 2.290 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=[NH2+])Nc2cccc(C)c2)[C@@H]1n1cccn1 ZINC000263183015 527890207 /nfs/dbraw/zinc/89/02/07/527890207.db2.gz ULWPAPAWLJRJAJ-XHSDSOJGSA-N 1 0 313.405 2.337 10 30 DEEERO CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=[NH2+])N(C)C)O[C@H](C)C2 ZINC000262515221 528349719 /nfs/dbraw/zinc/34/97/19/528349719.db2.gz GBUPVDOQVNGPIS-SCDSUCTJSA-N 1 0 303.406 2.141 10 30 DEEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N(C)Cc1ccc[nH]1 ZINC000262472557 528819623 /nfs/dbraw/zinc/81/96/23/528819623.db2.gz ZERMHFRYYNASOW-RRFJBIMHSA-N 1 0 304.438 2.226 10 30 DEEERO CC[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000262007309 528819631 /nfs/dbraw/zinc/81/96/31/528819631.db2.gz VWZWFEJCCPSHIX-YRGRVCCFSA-N 1 0 321.856 2.277 10 30 DEEERO CC[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N[C@@H]1CCC[C@@H]1C#N ZINC000262386393 528820357 /nfs/dbraw/zinc/82/03/57/528820357.db2.gz LKTKNTYADVSQJX-VMUDFCTBSA-N 1 0 306.454 2.437 10 30 DEEERO Cc1cccc(NC(=[NH2+])NCCS(=O)(=O)c2ccccc2)c1 ZINC000104172065 624782687 /nfs/dbraw/zinc/78/26/87/624782687.db2.gz KKSFUQSIYBCMFX-UHFFFAOYSA-N 1 0 317.414 2.196 10 30 DEEERO CCOc1ncccc1C(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC000091700033 635554592 /nfs/dbraw/zinc/55/45/92/635554592.db2.gz LSOMIWKPQWYMQI-CQSZACIVSA-N 1 0 304.390 2.371 10 30 DEEERO C#CC[N@H+]1CCC[C@@H]1COC(=O)COc1ccc(C)c(C)c1 ZINC000729810032 640843298 /nfs/dbraw/zinc/84/32/98/640843298.db2.gz REZJUZZTBCENPM-MRXNPFEDSA-N 1 0 301.386 2.323 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000803857419 645707184 /nfs/dbraw/zinc/70/71/84/645707184.db2.gz FNCKSLKRVORORW-CVEARBPZSA-N 1 0 322.449 2.383 10 30 DEEERO C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)NC1CCCC1 ZINC000151123648 646274649 /nfs/dbraw/zinc/27/46/49/646274649.db2.gz NXSVCYJEWOOQIO-UHFFFAOYSA-N 1 0 303.332 2.047 10 30 DEEERO C=CCS(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCCC1 ZINC000223423200 646494804 /nfs/dbraw/zinc/49/48/04/646494804.db2.gz OPWHWSMZTZWZPE-AWEZNQCLSA-N 1 0 312.435 2.302 10 30 DEEERO C=CCn1c(C)nn(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1=S ZINC000153203527 647384165 /nfs/dbraw/zinc/38/41/65/647384165.db2.gz NMNOPDUQOKHSEU-JSGCOSHPSA-N 1 0 307.467 2.035 10 30 DEEERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181674725 648723888 /nfs/dbraw/zinc/72/38/88/648723888.db2.gz RUPVWVHUBZFXAZ-RDJZCZTQSA-N 1 0 317.433 2.350 10 30 DEEERO CCc1nn(C)c(Cl)c1CN1CC[NH+](CCCCC#N)CC1 ZINC000105870429 651235408 /nfs/dbraw/zinc/23/54/08/651235408.db2.gz FIQUSPIJAAWOOQ-UHFFFAOYSA-N 1 0 323.872 2.447 10 30 DEEERO C=C(Br)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000138398580 684247241 /nfs/dbraw/zinc/24/72/41/684247241.db2.gz JGPAWRDIZMWNSQ-UHFFFAOYSA-N 1 0 318.259 2.315 10 30 DEEERO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N+]12CCN(CC1)CC2 ZINC000022308211 717113576 /nfs/dbraw/zinc/11/35/76/717113576.db2.gz HVDNNOYCWXBHOF-HNNXBMFYSA-O 1 0 316.469 2.457 10 30 DEEERO COc1ccc(NC(=O)NC(=O)C[N+](C)(C)C2CCCC2)cc1 ZINC000025203142 717113615 /nfs/dbraw/zinc/11/36/15/717113615.db2.gz DQUQOWJJRPNWRH-UHFFFAOYSA-O 1 0 320.413 2.362 10 30 DEEERO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N+]12CCN(CC1)CC2 ZINC000029225955 717117222 /nfs/dbraw/zinc/11/72/22/717117222.db2.gz SYMQYRPZTUZINB-ZDUSSCGKSA-O 1 0 308.833 2.121 10 30 DEEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CC(=O)OC ZINC000249706978 717164996 /nfs/dbraw/zinc/16/49/96/717164996.db2.gz PHUNCVYBMKEZEO-GOSISDBHSA-N 1 0 305.354 2.427 10 30 DEEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713864416 792262236 /nfs/dbraw/zinc/26/22/36/792262236.db2.gz ANXLDTCPHXEUFD-WDEREUQCSA-N 1 0 314.838 2.280 10 30 DEEERO CC#CC[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000717726501 799429035 /nfs/dbraw/zinc/42/90/35/799429035.db2.gz BVINBMXLJZCBJL-JJXSEGSLSA-N 1 0 322.449 2.138 10 30 DEEERO C[C@]12C[NH2+]C[C@H]1CN(c1cccc(Br)c1C#N)C2 ZINC000703582406 1086523695 /nfs/dbraw/zinc/52/36/95/1086523695.db2.gz HTWDWUDROVMNOW-IINYFYTJSA-N 1 0 306.207 2.366 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709290848 1086682070 /nfs/dbraw/zinc/68/20/70/1086682070.db2.gz YJCUVFQBVWHMIQ-YJNKXOJESA-N 1 0 310.438 2.301 10 30 DEEERO Cc1ccnc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1C#N ZINC000612086989 361742352 /nfs/dbraw/zinc/74/23/52/361742352.db2.gz OYFLPHFWNZBGRZ-INIZCTEOSA-N 1 0 314.433 2.343 10 30 DEEERO C[C@]1(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)CCCS1 ZINC000164807508 197664842 /nfs/dbraw/zinc/66/48/42/197664842.db2.gz OEKIONMSIONFPQ-CQSZACIVSA-N 1 0 307.444 2.490 10 30 DEEERO Cc1c(C#CC[NH3+])cccc1C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000088444059 185250909 /nfs/dbraw/zinc/25/09/09/185250909.db2.gz LYEQNZODNLFGRF-BETUJISGSA-N 1 0 302.443 2.271 10 30 DEEERO C=CCN(C)S(=O)(=O)c1ccc(CC[NH2+]CCC)s1 ZINC000166037477 197686646 /nfs/dbraw/zinc/68/66/46/197686646.db2.gz FBUSPHHWVPSWGV-UHFFFAOYSA-N 1 0 302.465 2.097 10 30 DEEERO C=CCCCS(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000625368319 365751505 /nfs/dbraw/zinc/75/15/05/365751505.db2.gz MHRMPKVSUPGIER-HNNXBMFYSA-N 1 0 300.468 2.279 10 30 DEEERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCCC#N)CC1 ZINC000190502240 529840956 /nfs/dbraw/zinc/84/09/56/529840956.db2.gz PYAWNJVTPNEQDK-HNNXBMFYSA-N 1 0 309.454 2.418 10 30 DEEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N(CCC)CC[NH+]1CCCCC1 ZINC000614730217 362449713 /nfs/dbraw/zinc/44/97/13/362449713.db2.gz WUHOIEHOUPLCCO-QGZVFWFLSA-N 1 0 323.481 2.182 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246370622 282439112 /nfs/dbraw/zinc/43/91/12/282439112.db2.gz AHLHZOITNZWKBU-CWRNSKLLSA-N 1 0 315.417 2.315 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(COC)cc2)C1 ZINC000625700520 365875387 /nfs/dbraw/zinc/87/53/87/365875387.db2.gz JQSMHILCFPGKQT-MRXNPFEDSA-N 1 0 302.418 2.347 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)NCC)c2)C1 ZINC000625705827 365877563 /nfs/dbraw/zinc/87/75/63/365877563.db2.gz ZNXKOMVJGXAQCX-AWEZNQCLSA-N 1 0 315.417 2.273 10 30 DEEERO C[C@H]1CN(C(=O)c2ccc(C#CC[NH3+])cc2F)C[C@H](C)S1 ZINC000070388869 190884048 /nfs/dbraw/zinc/88/40/48/190884048.db2.gz PFGIOUAXEPZIDM-RYUDHWBXSA-N 1 0 306.406 2.102 10 30 DEEERO C[NH2+]C1(C)CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000133430821 185983840 /nfs/dbraw/zinc/98/38/40/185983840.db2.gz OPYIWQDZFQFLTG-UHFFFAOYSA-N 1 0 306.435 2.022 10 30 DEEERO Cc1cc(C(=O)N2CCS[C@@H](C)[C@@H]2C)sc1C#CC[NH3+] ZINC000133663098 186004562 /nfs/dbraw/zinc/00/45/62/186004562.db2.gz VWUIKBFTRQSLSP-RYUDHWBXSA-N 1 0 308.472 2.333 10 30 DEEERO C=CCN(C)S(=O)(=O)c1cc(C[NH2+]CCC)cc(F)c1F ZINC000139254459 186020648 /nfs/dbraw/zinc/02/06/48/186020648.db2.gz BTFNUFMFACQPJQ-UHFFFAOYSA-N 1 0 318.389 2.271 10 30 DEEERO CC(C)CCCCNS(=O)(=O)c1ccccc1C#CC[NH3+] ZINC000147803762 186042089 /nfs/dbraw/zinc/04/20/89/186042089.db2.gz UBSCEPXAUCHCJM-UHFFFAOYSA-N 1 0 308.447 2.101 10 30 DEEERO C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000617044941 363009097 /nfs/dbraw/zinc/00/90/97/363009097.db2.gz VPAGBLWSLSHBKY-LSDHHAIUSA-N 1 0 304.438 2.309 10 30 DEEERO C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000173791517 198252077 /nfs/dbraw/zinc/25/20/77/198252077.db2.gz BWFSASCXVBUGQY-CZUORRHYSA-N 1 0 300.406 2.182 10 30 DEEERO C=CC(C)(C)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617705572 363227344 /nfs/dbraw/zinc/22/73/44/363227344.db2.gz YMDGAAKEMZPJKR-INIZCTEOSA-N 1 0 302.418 2.082 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000029782901 354116002 /nfs/dbraw/zinc/11/60/02/354116002.db2.gz IFVZGUHWDZNUGS-CYBMUJFWSA-N 1 0 313.401 2.069 10 30 DEEERO Cc1nn(CC(=O)c2ccc(C)cc2)c(N=CN(C)C)[s+]1 ZINC000004276874 181091618 /nfs/dbraw/zinc/09/16/18/181091618.db2.gz UBVKYRLOJIYPQS-UHFFFAOYSA-N 1 0 303.411 2.152 10 30 DEEERO N#CCCn1nnnc1[C@@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000059643024 354606243 /nfs/dbraw/zinc/60/62/43/354606243.db2.gz BSFPXBZIAPDRHX-KRWDZBQOSA-N 1 0 318.384 2.496 10 30 DEEERO N#Cc1cc(F)c([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(F)c1 ZINC000195265042 283097927 /nfs/dbraw/zinc/09/79/27/283097927.db2.gz PIYGOPIEFRQSAR-AWEZNQCLSA-N 1 0 324.294 2.282 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262686435 283261747 /nfs/dbraw/zinc/26/17/47/283261747.db2.gz ASXJOKUNANTUMV-UTUOFQBUSA-N 1 0 307.360 2.438 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627121108 366450167 /nfs/dbraw/zinc/45/01/67/366450167.db2.gz PHRIUHQNRIQARC-INIZCTEOSA-N 1 0 323.481 2.389 10 30 DEEERO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1=O ZINC000597121409 358828430 /nfs/dbraw/zinc/82/84/30/358828430.db2.gz KSROUKGHHHMBSM-KRWDZBQOSA-N 1 0 309.413 2.460 10 30 DEEERO C=CCC[C@@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1ccccc1 ZINC000089515049 192807396 /nfs/dbraw/zinc/80/73/96/192807396.db2.gz WUZCLYHCELYYCX-DLBZAZTESA-N 1 0 302.418 2.267 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000602449444 360378517 /nfs/dbraw/zinc/37/85/17/360378517.db2.gz MNCYKDUVSRARCG-CQSZACIVSA-N 1 0 301.346 2.157 10 30 DEEERO C=C(C)C[C@@H](NC1CC[NH+](Cc2ccncc2)CC1)C(=O)OC ZINC000602733582 360524322 /nfs/dbraw/zinc/52/43/22/360524322.db2.gz JJJUWGKSHGKWQX-QGZVFWFLSA-N 1 0 317.433 2.143 10 30 DEEERO CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609557011 361320118 /nfs/dbraw/zinc/32/01/18/361320118.db2.gz IEUVSXJAAXJHIE-HNNXBMFYSA-N 1 0 318.396 2.369 10 30 DEEERO CC(C)CC[NH+]1CCC(CNC(=O)c2ccnc(C#N)c2)CC1 ZINC000193470997 201057820 /nfs/dbraw/zinc/05/78/20/201057820.db2.gz RDZPKPXOVNHLES-UHFFFAOYSA-N 1 0 314.433 2.441 10 30 DEEERO Cc1c(C#N)cccc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610905667 361490607 /nfs/dbraw/zinc/49/06/07/361490607.db2.gz BLGRRGYESCRRBA-UHFFFAOYSA-N 1 0 312.377 2.269 10 30 DEEERO N#Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccn1 ZINC000195067167 201333961 /nfs/dbraw/zinc/33/39/61/201333961.db2.gz QUCUVABXUDBKAS-UHFFFAOYSA-N 1 0 320.396 2.479 10 30 DEEERO C=CCCO[C@H](C)C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620915133 364199794 /nfs/dbraw/zinc/19/97/94/364199794.db2.gz COQMBUGYTOLAFW-HZPDHXFCSA-N 1 0 324.465 2.069 10 30 DEEERO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)C1 ZINC000623651026 365116588 /nfs/dbraw/zinc/11/65/88/365116588.db2.gz BHOKXKIIFBBDME-QLFBSQMISA-N 1 0 312.421 2.037 10 30 DEEERO Cc1noc([C@H]2CCC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)n1 ZINC000091832567 193114368 /nfs/dbraw/zinc/11/43/68/193114368.db2.gz OXHUGIKHSVNFBL-AWEZNQCLSA-N 1 0 322.372 2.277 10 30 DEEERO [NH3+]CC#Cc1cnc(NC(=O)CSc2ccccc2)s1 ZINC000092232651 193177299 /nfs/dbraw/zinc/17/72/99/193177299.db2.gz BBXBARFHSYUMPY-UHFFFAOYSA-N 1 0 303.412 2.184 10 30 DEEERO C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000631743944 368365794 /nfs/dbraw/zinc/36/57/94/368365794.db2.gz HVVVNDBEIGZXML-NWANDNLSSA-N 1 0 300.468 2.324 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2cc(C#N)ccc2OC)C[C@@H]1C ZINC000159925083 197373738 /nfs/dbraw/zinc/37/37/38/197373738.db2.gz QISRHWZEGXYESL-HNNXBMFYSA-N 1 0 317.433 2.109 10 30 DEEERO N#C[C@@H](c1ccc(F)c(Br)c1)N1CCC[NH2+]CC1 ZINC000037940421 182940563 /nfs/dbraw/zinc/94/05/63/182940563.db2.gz QYQSRBMTEJUSNF-ZDUSSCGKSA-N 1 0 312.186 2.448 10 30 DEEERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N(CC)C[C@@H](C)C#N)c1 ZINC000042448374 183271726 /nfs/dbraw/zinc/27/17/26/183271726.db2.gz IMNDCLOMZJNUAK-SWLSCSKDSA-N 1 0 309.435 2.267 10 30 DEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)c1cccc(F)c1 ZINC000042364961 183259463 /nfs/dbraw/zinc/25/94/63/183259463.db2.gz LTKALGYDSSUKNQ-UHFFFAOYSA-N 1 0 302.374 2.470 10 30 DEEERO C[C@H](N(C)S(=O)(=O)c1ccccc1C#CC[NH3+])C(C)(C)C ZINC000042830779 183312873 /nfs/dbraw/zinc/31/28/73/183312873.db2.gz ZZGLKAXPMGOTAH-ZDUSSCGKSA-N 1 0 308.447 2.052 10 30 DEEERO CC(C)CN(CCC#N)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000043419874 183360846 /nfs/dbraw/zinc/36/08/46/183360846.db2.gz OZJQOPSCFPQODG-CYBMUJFWSA-N 1 0 309.435 2.267 10 30 DEEERO CC(C)CN(CCC#N)S(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000043419880 183361019 /nfs/dbraw/zinc/36/10/19/183361019.db2.gz VYOQQVRADOVPMJ-ZDUSSCGKSA-N 1 0 309.435 2.267 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000273881946 211141138 /nfs/dbraw/zinc/14/11/38/211141138.db2.gz XPFJXELVZFIASA-JTQLQIEISA-N 1 0 316.195 2.190 10 30 DEEERO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802804 194131496 /nfs/dbraw/zinc/13/14/96/194131496.db2.gz BTZLYPXGROOKKS-KRWDZBQOSA-N 1 0 307.401 2.449 10 30 DEEERO C#CC[NH2+]CC(=O)N[C@H](CC)c1ccc(Br)cc1 ZINC000105964451 194175389 /nfs/dbraw/zinc/17/53/89/194175389.db2.gz PHJNPFNVIPCDOZ-CYBMUJFWSA-N 1 0 309.207 2.239 10 30 DEEERO CCCN(CC(=O)Nc1sccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000110946455 194373591 /nfs/dbraw/zinc/37/35/91/194373591.db2.gz QPGRFRMGYLDGFA-CYBMUJFWSA-N 1 0 306.435 2.022 10 30 DEEERO COCC[NH2+]Cc1cccc(Br)c1O[C@@H](C)C#N ZINC000062733850 184251615 /nfs/dbraw/zinc/25/16/15/184251615.db2.gz MKEWPVLZTPUHKK-JTQLQIEISA-N 1 0 313.195 2.476 10 30 DEEERO COc1ccccc1[C@]1(C)C[C@@H]1NC(=[NH2+])N1CCSCC1 ZINC000262524925 533027733 /nfs/dbraw/zinc/02/77/33/533027733.db2.gz KKPHZEQXWISOSH-HOCLYGCPSA-N 1 0 305.447 2.089 10 30 DEEERO COc1ccc(C[N@@H+]2CCSC(C)(C)C2)cc1C#CCO ZINC000159053030 197322658 /nfs/dbraw/zinc/32/26/58/197322658.db2.gz QPYZFIUPMQWNMN-UHFFFAOYSA-N 1 0 305.443 2.366 10 30 DEEERO CC[C@H]1CN(C(=O)c2ccc(F)cc2C#CC[NH3+])CCS1 ZINC000157982698 197232924 /nfs/dbraw/zinc/23/29/24/197232924.db2.gz LGQDDBIIMUVDQU-AWEZNQCLSA-N 1 0 306.406 2.104 10 30 DEEERO C[C@@H]([NH3+])c1cc(Br)ccc1-n1cnc(C#N)c1C#N ZINC000156219218 197096147 /nfs/dbraw/zinc/09/61/47/197096147.db2.gz QJNKKJOWZNDLMP-MRVPVSSYSA-N 1 0 316.162 2.398 10 30 DEEERO C[C@H]([NH3+])c1ccc(-n2cnc(C#N)c2C#N)c(Br)c1 ZINC000156218566 197096028 /nfs/dbraw/zinc/09/60/28/197096028.db2.gz LCQWSJQHYVLJAL-QMMMGPOBSA-N 1 0 316.162 2.398 10 30 DEEERO C=CC[N@@H+]1CCO[C@H]2CN(C(=O)c3cccs3)CC[C@H]2C1 ZINC000248024537 257110814 /nfs/dbraw/zinc/11/08/14/257110814.db2.gz VXJDIVDJQZDKMZ-KBPBESRZSA-N 1 0 306.431 2.097 10 30 DEEERO CO[C@@H]1CCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329295658 533386817 /nfs/dbraw/zinc/38/68/17/533386817.db2.gz OOPPXXXTENVOTR-MOTUXRJWSA-N 1 0 309.454 2.320 10 30 DEEERO C[C@H]1C[N@@H+](C2CCN(Cc3ccc(C#N)c(F)c3)CC2)CCO1 ZINC000191957707 145068454 /nfs/dbraw/zinc/06/84/54/145068454.db2.gz XPJKLSMKBIFENN-AWEZNQCLSA-N 1 0 317.408 2.382 10 30 DEEERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000246815605 145115897 /nfs/dbraw/zinc/11/58/97/145115897.db2.gz BUBOQIJZWNWZEA-GJZGRUSLSA-N 1 0 315.417 2.126 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329898884 404487795 /nfs/dbraw/zinc/48/77/95/404487795.db2.gz MOWJZQZGHJLVKO-DJIMGWMZSA-N 1 0 322.449 2.425 10 30 DEEERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1OC ZINC000112531106 401748251 /nfs/dbraw/zinc/74/82/51/401748251.db2.gz JWOLKXKBSRFVGB-CHWSQXEVSA-N 1 0 319.405 2.115 10 30 DEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000076734419 401799522 /nfs/dbraw/zinc/79/95/22/401799522.db2.gz QTASABHCAWEYGJ-GJZGRUSLSA-N 1 0 318.417 2.229 10 30 DEEERO C=CCOc1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)cc1OC ZINC000128095234 401762802 /nfs/dbraw/zinc/76/28/02/401762802.db2.gz NIWVJDRCZHHUPD-INIZCTEOSA-N 1 0 320.433 2.022 10 30 DEEERO COc1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1C#N ZINC000135047086 401925186 /nfs/dbraw/zinc/92/51/86/401925186.db2.gz RKVCWAWLTXMZBX-UHFFFAOYSA-N 1 0 323.400 2.069 10 30 DEEERO C#Cc1cccc(NC(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)c1 ZINC000117440110 401876936 /nfs/dbraw/zinc/87/69/36/401876936.db2.gz SIZUCZKHGLULFI-QGZVFWFLSA-N 1 0 315.417 2.242 10 30 DEEERO C[C@@H](CNC(=O)c1cc(C#N)cn1C)[N@H+](C)Cc1ccccc1 ZINC000081535440 401896740 /nfs/dbraw/zinc/89/67/40/401896740.db2.gz FFXUKVHPZOTBBF-AWEZNQCLSA-N 1 0 310.401 2.147 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000047146647 401979278 /nfs/dbraw/zinc/97/92/78/401979278.db2.gz AOQVSSNGSIGACO-HUUCEWRRSA-N 1 0 315.417 2.174 10 30 DEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000121075978 402013653 /nfs/dbraw/zinc/01/36/53/402013653.db2.gz LHJVZXJPOZIMIH-GJZGRUSLSA-N 1 0 310.438 2.075 10 30 DEEERO C[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)N1CCC[C@H](C)C1 ZINC000123298451 402120364 /nfs/dbraw/zinc/12/03/64/402120364.db2.gz MWROTCXDSONHJC-GJZGRUSLSA-N 1 0 311.433 2.416 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)cc1C#N ZINC000153448620 402145387 /nfs/dbraw/zinc/14/53/87/402145387.db2.gz RCMNWMPCBNNBHL-SMDDNHRTSA-N 1 0 302.353 2.398 10 30 DEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000068223817 402188336 /nfs/dbraw/zinc/18/83/36/402188336.db2.gz CVWCUPPCDISZTI-GDBMZVCRSA-N 1 0 317.433 2.418 10 30 DEEERO C=CCC[C@@H](CN1CCC[N@@H+](C)CC1)Oc1ncc(Cl)cn1 ZINC000106717225 402215705 /nfs/dbraw/zinc/21/57/05/402215705.db2.gz ISNVEQXZQCSTDR-HNNXBMFYSA-N 1 0 324.856 2.481 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c(F)cc(C#N)cc1F ZINC000154661344 402224826 /nfs/dbraw/zinc/22/48/26/402224826.db2.gz ULAUBJLFBOKGNV-GFCCVEGCSA-N 1 0 307.344 2.393 10 30 DEEERO N#Cc1c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cn2ccccc12 ZINC000069919923 402251093 /nfs/dbraw/zinc/25/10/93/402251093.db2.gz MOZXTUBUOZVVAI-HNNXBMFYSA-N 1 0 320.400 2.315 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886885 402210756 /nfs/dbraw/zinc/21/07/56/402210756.db2.gz IEMNQVOVLHAEOM-MRXNPFEDSA-N 1 0 318.465 2.408 10 30 DEEERO N#Cc1ccc(NCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000214364281 402279556 /nfs/dbraw/zinc/27/95/56/402279556.db2.gz SOWMZCXHOGNKFW-UHFFFAOYSA-N 1 0 323.238 2.028 10 30 DEEERO CC(C)C[C@@H](CO)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185321031 402343426 /nfs/dbraw/zinc/34/34/26/402343426.db2.gz QYTKCABPYILCDP-HNNXBMFYSA-N 1 0 314.389 2.447 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176899467 402348244 /nfs/dbraw/zinc/34/82/44/402348244.db2.gz DOSPIQIUCHXVLV-CYBMUJFWSA-N 1 0 324.384 2.421 10 30 DEEERO COCC[N@@H+]1CCN(CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000177131112 402372937 /nfs/dbraw/zinc/37/29/37/402372937.db2.gz QAKLROBDTNRCEK-HNNXBMFYSA-N 1 0 306.837 2.344 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000185240090 402338111 /nfs/dbraw/zinc/33/81/11/402338111.db2.gz RUTGBSLRSATNEH-ZIAGYGMSSA-N 1 0 323.462 2.121 10 30 DEEERO C=CCN(Cc1ccc(OC)cc1)C[C@H](C)CS(C)(=O)=O ZINC000163074275 402440986 /nfs/dbraw/zinc/44/09/86/402440986.db2.gz COHIRHMCRIUSLA-AWEZNQCLSA-N 1 0 311.447 2.364 10 30 DEEERO C[C@@H](NC(=O)c1cc(C#N)cn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000185939352 402391278 /nfs/dbraw/zinc/39/12/78/402391278.db2.gz HQRHESTYDIDZEG-CXAGYDPISA-N 1 0 310.401 2.318 10 30 DEEERO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178113437 402461784 /nfs/dbraw/zinc/46/17/84/402461784.db2.gz XTEHTAONZGWORI-OAHLLOKOSA-N 1 0 313.401 2.022 10 30 DEEERO COc1cccc(NC(=[NH2+])NCc2cccnc2-n2ccnc2)c1 ZINC000170912336 402541377 /nfs/dbraw/zinc/54/13/77/402541377.db2.gz HVXIGWHDZFRFCC-UHFFFAOYSA-N 1 0 322.372 2.203 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000247529251 402571433 /nfs/dbraw/zinc/57/14/33/402571433.db2.gz ZQXNRRKLIUCQRE-MLGOLLRUSA-N 1 0 318.396 2.225 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000178692732 402527509 /nfs/dbraw/zinc/52/75/09/402527509.db2.gz AWEXUKLTLPXGEB-RHSMWYFYSA-N 1 0 314.433 2.430 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000246396222 402529181 /nfs/dbraw/zinc/52/91/81/402529181.db2.gz JDEQYBLUPMDWBL-IAGOWNOFSA-N 1 0 315.417 2.188 10 30 DEEERO C[NH+](C)C1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173522032 402700950 /nfs/dbraw/zinc/70/09/50/402700950.db2.gz QPDMKNBHXXBWPL-UHFFFAOYSA-N 1 0 311.389 2.134 10 30 DEEERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccnc(C#N)c2)C1 ZINC000192852338 402753784 /nfs/dbraw/zinc/75/37/84/402753784.db2.gz YBDNJICVBKMRQF-ZIAGYGMSSA-N 1 0 314.433 2.440 10 30 DEEERO C=C[C@](C)(O)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000278965817 402891512 /nfs/dbraw/zinc/89/15/12/402891512.db2.gz XATYIALFCQPLSK-MJGOQNOKSA-N 1 0 316.445 2.484 10 30 DEEERO N#Cc1ccnc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000283778362 403222743 /nfs/dbraw/zinc/22/27/43/403222743.db2.gz SLRZZBZZUIMNAO-PBHICJAKSA-N 1 0 310.401 2.042 10 30 DEEERO C#CCC(CC#C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000277558799 403230737 /nfs/dbraw/zinc/23/07/37/403230737.db2.gz WZWIMWDEUHLSOV-UHFFFAOYSA-N 1 0 308.425 2.214 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)c1cn[nH]c1)C(C)C ZINC000270348166 403182660 /nfs/dbraw/zinc/18/26/60/403182660.db2.gz VTJLERFNENIETK-GOEBONIOSA-N 1 0 319.453 2.469 10 30 DEEERO C=CCOc1ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1 ZINC000342846759 403369859 /nfs/dbraw/zinc/36/98/59/403369859.db2.gz OMNQVIIPBWNHEQ-HOTGVXAUSA-N 1 0 304.434 2.138 10 30 DEEERO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)c1ccco1 ZINC000302740960 403719127 /nfs/dbraw/zinc/71/91/27/403719127.db2.gz RBGUGLVYCLRJMS-LBPRGKRZSA-N 1 0 301.306 2.169 10 30 DEEERO C=CCC[C@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000305052453 403812679 /nfs/dbraw/zinc/81/26/79/403812679.db2.gz DCHVYXOAVKVHNT-HOTGVXAUSA-N 1 0 317.433 2.368 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000362026945 403919260 /nfs/dbraw/zinc/91/92/60/403919260.db2.gz NRYMEHCEGFNOOA-HZPDHXFCSA-N 1 0 315.417 2.314 10 30 DEEERO C=CCC[C@H](C)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000348686757 404092461 /nfs/dbraw/zinc/09/24/61/404092461.db2.gz SSFUBEHVIPZZGR-GJZGRUSLSA-N 1 0 308.447 2.394 10 30 DEEERO CC(C)c1noc([C@H](NC(=O)C[NH+](C)C)C2CCOCC2)n1 ZINC000328614574 404115574 /nfs/dbraw/zinc/11/55/74/404115574.db2.gz AKTXKVISRTXTSN-CYBMUJFWSA-N 1 0 310.398 2.179 10 30 DEEERO CS[C@H](C)CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328629181 404120112 /nfs/dbraw/zinc/12/01/12/404120112.db2.gz OOQJEBSAWOBCPD-SNPRPXQTSA-N 1 0 322.478 2.330 10 30 DEEERO C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccoc2)[C@@H]1c1cccnc1 ZINC000328631269 404120238 /nfs/dbraw/zinc/12/02/38/404120238.db2.gz QSSMMILVZCKQGZ-HOTGVXAUSA-N 1 0 314.389 2.371 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C1 ZINC000328990233 404192413 /nfs/dbraw/zinc/19/24/13/404192413.db2.gz VEJMWTGLVKJHIF-APIJFGDWSA-N 1 0 320.437 2.183 10 30 DEEERO C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000352251792 404246297 /nfs/dbraw/zinc/24/62/97/404246297.db2.gz RAECWLUHJCTFTR-JYJNAYRXSA-N 1 0 323.481 2.036 10 30 DEEERO Cn1nccc1[C@H]1[C@H](CNC(=O)[C@]2(C)CCCO2)CCC[N@@H+]1C ZINC000329168241 404252805 /nfs/dbraw/zinc/25/28/05/404252805.db2.gz IRMALUKWNBMTGC-LXZKKBNFSA-N 1 0 320.437 2.329 10 30 DEEERO CN1CC[C@H]([NH2+]CC(=O)NC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000329788623 404452565 /nfs/dbraw/zinc/45/25/65/404452565.db2.gz RYHVIBTYKZDXFD-DOTOQJQBSA-N 1 0 312.417 2.424 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451343812 404962254 /nfs/dbraw/zinc/96/22/54/404962254.db2.gz PZZDZUTVIGVIRG-ZACQAIPSSA-N 1 0 306.450 2.203 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)NCCc1ccccc1 ZINC000424295772 405061162 /nfs/dbraw/zinc/06/11/62/405061162.db2.gz NHSMBCZEEULPPU-SZMVWBNQSA-N 1 0 316.445 2.305 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)c2cccc3c2CC(=O)CC3)CC1 ZINC000354276871 405136176 /nfs/dbraw/zinc/13/61/76/405136176.db2.gz CTXASQZBJDCBFH-UHFFFAOYSA-N 1 0 312.413 2.125 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000425428680 405288871 /nfs/dbraw/zinc/28/88/71/405288871.db2.gz WRMKQTDNBJKELE-NCOADZHNSA-N 1 0 323.481 2.245 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446719097 405389814 /nfs/dbraw/zinc/38/98/14/405389814.db2.gz LVGAEKBYWONMPS-KSSFIOAISA-N 1 0 315.417 2.050 10 30 DEEERO C=CC[C@@]1(C(=O)NC[C@@]2(C)COc3ccccc3O2)CCC[NH2+]1 ZINC000638461046 405483841 /nfs/dbraw/zinc/48/38/41/405483841.db2.gz RFYAGHKIEFCDIG-ROUUACIJSA-N 1 0 316.401 2.031 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000594044796 405886297 /nfs/dbraw/zinc/88/62/97/405886297.db2.gz RSCPEWGSIZVWOO-GHMZBOCLSA-N 1 0 317.380 2.190 10 30 DEEERO C=C[C@@](C)(CCOC)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634095307 406001879 /nfs/dbraw/zinc/00/18/79/406001879.db2.gz LTCTUSPJZXSNAK-KRWDZBQOSA-N 1 0 320.437 2.317 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000636534375 406002435 /nfs/dbraw/zinc/00/24/35/406002435.db2.gz RKAXNDPSBHASDE-UHFFFAOYSA-N 1 0 324.513 2.304 10 30 DEEERO C=CCn1c(COC)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000634340928 406107475 /nfs/dbraw/zinc/10/74/75/406107475.db2.gz FDLQSHXLCGJFPP-UHFFFAOYSA-N 1 0 319.453 2.065 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000520221914 406275631 /nfs/dbraw/zinc/27/56/31/406275631.db2.gz NTWMOUBVLNOUNQ-YOEHRIQHSA-N 1 0 321.465 2.284 10 30 DEEERO C=CCN(CCOC)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000637366171 406278529 /nfs/dbraw/zinc/27/85/29/406278529.db2.gz AJOXGJFONBVPSW-INIZCTEOSA-N 1 0 309.454 2.237 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527896063 406782576 /nfs/dbraw/zinc/78/25/76/406782576.db2.gz BUMPQKLBDGNJHJ-UAGQMJEPSA-N 1 0 321.465 2.284 10 30 DEEERO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000555316312 406840763 /nfs/dbraw/zinc/84/07/63/406840763.db2.gz TVPJXVRMVXYJNG-CQSZACIVSA-N 1 0 319.449 2.076 10 30 DEEERO CC[C@@H]1CN(C(NCc2nccn2CC(C)C)=[NH+]C)CCS1 ZINC000262034311 287121587 /nfs/dbraw/zinc/12/15/87/287121587.db2.gz XMWLEEGBJDESLN-CQSZACIVSA-N 1 0 323.510 2.442 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NC[C@H]2CCCS2)cc1Cl ZINC000129208870 196029544 /nfs/dbraw/zinc/02/95/44/196029544.db2.gz KCEIHJOSJPXBLF-CYBMUJFWSA-N 1 0 308.834 2.276 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NCCCC(F)(F)F)c(F)c1 ZINC000131054097 196135329 /nfs/dbraw/zinc/13/53/29/196135329.db2.gz BANLWAJIZMGRCB-UHFFFAOYSA-N 1 0 302.271 2.208 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)C1(C[NH3+])CCC1 ZINC000132481143 196258333 /nfs/dbraw/zinc/25/83/33/196258333.db2.gz HWEYUTXYLLNIFB-UHFFFAOYSA-N 1 0 308.179 2.388 10 30 DEEERO N#Cc1ccc(C2(C(=O)N3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000188513549 225022070 /nfs/dbraw/zinc/02/20/70/225022070.db2.gz VJQBQJGIKKZCBL-UHFFFAOYSA-N 1 0 309.413 2.144 10 30 DEEERO N#Cc1ccc(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000195232890 225200662 /nfs/dbraw/zinc/20/06/62/225200662.db2.gz DOHZSBQAZVWIGG-UHFFFAOYSA-N 1 0 311.429 2.435 10 30 DEEERO Cc1nn(C)c(C)c1CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000262321883 225269403 /nfs/dbraw/zinc/26/94/03/225269403.db2.gz VVSYCRSQJVALIK-UHFFFAOYSA-N 1 0 307.348 2.284 10 30 DEEERO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249888110 225245252 /nfs/dbraw/zinc/24/52/52/225245252.db2.gz PSWFJWUJMHTEHV-QWHCGFSZSA-N 1 0 306.435 2.083 10 30 DEEERO Cc1cc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)nc(C)n1 ZINC000261769320 225255898 /nfs/dbraw/zinc/25/58/98/225255898.db2.gz MNDQFDCCXOEISA-OAHLLOKOSA-N 1 0 311.389 2.022 10 30 DEEERO Cn1cc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c2ccccc2c1=O ZINC000330279268 225990876 /nfs/dbraw/zinc/99/08/76/225990876.db2.gz QUFOMQIPFQNIGI-CHWSQXEVSA-N 1 0 313.401 2.326 10 30 DEEERO C[NH+](C)C[C@@H]1CCCN1c1ncc(Br)cc1C#N ZINC000297338213 227029233 /nfs/dbraw/zinc/02/92/33/227029233.db2.gz AQRDREOTNPGKIG-LBPRGKRZSA-N 1 0 309.211 2.246 10 30 DEEERO C=CCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H](C)COC ZINC000637469638 424853269 /nfs/dbraw/zinc/85/32/69/424853269.db2.gz DFUFBNYNCFKWFC-HOCLYGCPSA-N 1 0 309.454 2.236 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084251838 267381847 /nfs/dbraw/zinc/38/18/47/267381847.db2.gz PQXHVXYVWBGRFT-UHFFFAOYSA-N 1 0 316.430 2.162 10 30 DEEERO C[NH+]=C(NCc1nccn1C(F)F)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000156021086 275734001 /nfs/dbraw/zinc/73/40/01/275734001.db2.gz FSVNGOIZDVKFSL-TXEJJXNPSA-N 1 0 311.380 2.476 10 30 DEEERO CC[NH+]=C(NC[C@](C)(O)c1cc(C)oc1C)N[C@H]1CC1(C)C ZINC000262336006 276095806 /nfs/dbraw/zinc/09/58/06/276095806.db2.gz FNSPQLDJQLUSTC-YOEHRIQHSA-N 1 0 307.438 2.458 10 30 DEEERO CCCCCCCS(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000249441580 276226670 /nfs/dbraw/zinc/22/66/70/276226670.db2.gz FNWXBWHKUVPICX-HUUCEWRRSA-N 1 0 302.484 2.313 10 30 DEEERO CCOc1cc2c(cc1[C@@H]1C[C@H]1NC1=[NH+]CCN1C)O[C@@H](C)C2 ZINC000262679974 276371507 /nfs/dbraw/zinc/37/15/07/276371507.db2.gz VQHKGUXSNYWHII-CORIIIEPSA-N 1 0 315.417 2.156 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000448943711 276878253 /nfs/dbraw/zinc/87/82/53/276878253.db2.gz AITCVAAVGBGZRE-HNNXBMFYSA-N 1 0 308.385 2.030 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]1COC)C(C)C ZINC000297076851 276891487 /nfs/dbraw/zinc/89/14/87/276891487.db2.gz LTTCRLMKGQQDAP-HZPDHXFCSA-N 1 0 309.454 2.115 10 30 DEEERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000109754642 277045465 /nfs/dbraw/zinc/04/54/65/277045465.db2.gz KYIBQDQUBIECHG-LJQANCHMSA-N 1 0 312.461 2.160 10 30 DEEERO COCC[N@@H+]1CCCC[C@@]12CC(=O)N(c1ccc(C#N)cc1)C2 ZINC000096089546 277219904 /nfs/dbraw/zinc/21/99/04/277219904.db2.gz PMIXCKHEHKJFBQ-SFHVURJKSA-N 1 0 313.401 2.166 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](O)C(C)(C)C1 ZINC000329536468 277392399 /nfs/dbraw/zinc/39/23/99/277392399.db2.gz LWHDGPPGCOCBBC-CABCVRRESA-N 1 0 311.470 2.114 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2c2ccnn2C)C1 ZINC000329398269 279315513 /nfs/dbraw/zinc/31/55/13/279315513.db2.gz YCOBAHKMWAPAJK-GOEBONIOSA-N 1 0 319.453 2.345 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000328839030 279315516 /nfs/dbraw/zinc/31/55/16/279315516.db2.gz UDHGLTBZRNPWDR-GJZGRUSLSA-N 1 0 309.454 2.324 10 30 DEEERO C=CCCCCCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566480636 332445478 /nfs/dbraw/zinc/44/54/78/332445478.db2.gz YVRSWTIEYLFIQY-OAHLLOKOSA-N 1 0 309.454 2.130 10 30 DEEERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000188008293 333156958 /nfs/dbraw/zinc/15/69/58/333156958.db2.gz DBBZODZFDHGNDY-MAUKXSAKSA-N 1 0 321.465 2.154 10 30 DEEERO C#CCCCCC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000180279477 337175722 /nfs/dbraw/zinc/17/57/22/337175722.db2.gz RAMLRKIVSDDCBH-UHFFFAOYSA-N 1 0 319.493 2.247 10 30 DEEERO Cc1ccc([C@H](OS(=O)(=O)CCC[NH3+])C(F)(F)F)cc1 ZINC000584621243 337374835 /nfs/dbraw/zinc/37/48/35/337374835.db2.gz XQIPXXIZILRFHN-NSHDSACASA-N 1 0 311.325 2.294 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000564842123 341511211 /nfs/dbraw/zinc/51/12/11/341511211.db2.gz YTJKBHDJSAVUQE-KCXAZCMYSA-N 1 0 303.406 2.097 10 30 DEEERO N#Cc1cc(Br)cnc1N[C@@H](CC[NH3+])C(F)F ZINC000383357842 501030443 /nfs/dbraw/zinc/03/04/43/501030443.db2.gz CPMKVLSXQWVMSM-QMMMGPOBSA-N 1 0 305.126 2.110 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000262830586 534272132 /nfs/dbraw/zinc/27/21/32/534272132.db2.gz RKVBUCRZZCZMSJ-OLUVUFQESA-N 1 0 311.788 2.370 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000132465928 519691597 /nfs/dbraw/zinc/69/15/97/519691597.db2.gz INIKKLHXLWFDIN-PBHICJAKSA-N 1 0 314.433 2.428 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000448958593 534675632 /nfs/dbraw/zinc/67/56/32/534675632.db2.gz YXZXOHOKWXZHGT-UHFFFAOYSA-N 1 0 302.422 2.283 10 30 DEEERO N#CCSc1cccc(C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000188635278 534709270 /nfs/dbraw/zinc/70/92/70/534709270.db2.gz OCUCEKOYUQXQPL-UHFFFAOYSA-N 1 0 301.415 2.222 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NC[C@@H]1COc2ccccc21 ZINC000262328365 534833991 /nfs/dbraw/zinc/83/39/91/534833991.db2.gz XJUGWEMWAWXCMF-GFCCVEGCSA-N 1 0 301.415 2.371 10 30 DEEERO C=CCN(CCOC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000250747639 526290415 /nfs/dbraw/zinc/29/04/15/526290415.db2.gz RHOSCUAOBRZWSI-IAGOWNOFSA-N 1 0 317.433 2.276 10 30 DEEERO C=CCN(CCc1ccccc1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418578945 526310909 /nfs/dbraw/zinc/31/09/09/526310909.db2.gz QQZRWUUCLHKLLQ-RDJZCZTQSA-N 1 0 301.434 2.425 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418580848 526344026 /nfs/dbraw/zinc/34/40/26/526344026.db2.gz TZMKOGDOPQABPE-YOEHRIQHSA-N 1 0 312.417 2.254 10 30 DEEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CN1CCOCC1 ZINC000411188399 526350265 /nfs/dbraw/zinc/35/02/65/526350265.db2.gz CZFJXUYMGOOPQZ-HNNXBMFYSA-N 1 0 319.405 2.304 10 30 DEEERO C[NH+]=C(NCCC1CCOCC1)N1CCC[C@@]2(CCCOC2)C1 ZINC000262772657 526354216 /nfs/dbraw/zinc/35/42/16/526354216.db2.gz IIVAMZGVIDSPPY-GOSISDBHSA-N 1 0 323.481 2.271 10 30 DEEERO C[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000261974542 526374907 /nfs/dbraw/zinc/37/49/07/526374907.db2.gz NMVYGICNBHHIOL-QEJZJMRPSA-N 1 0 303.454 2.142 10 30 DEEERO C[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N(C)Cc1ccc[nH]1 ZINC000262773577 526376163 /nfs/dbraw/zinc/37/61/63/526376163.db2.gz IJSJBZKBDKBLLS-HNNXBMFYSA-N 1 0 320.824 2.409 10 30 DEEERO C[NH+]=C(NCc1cnc(C)s1)N(C)Cc1csc(C)n1 ZINC000261658108 526387525 /nfs/dbraw/zinc/38/75/25/526387525.db2.gz FSGDPESUPUEQLC-UHFFFAOYSA-N 1 0 309.464 2.424 10 30 DEEERO C[NH+]=C(NCc1nccn1CC(C)C)N1CCSC(C)(C)C1 ZINC000261942923 526391585 /nfs/dbraw/zinc/39/15/85/526391585.db2.gz MYEZIUIPIVXODS-UHFFFAOYSA-N 1 0 323.510 2.442 10 30 DEEERO C[NH+]=C(N[C@H]1CC1(C)C)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261853146 526395479 /nfs/dbraw/zinc/39/54/79/526395479.db2.gz YFQCSIQLMJMVPG-YPMHNXCESA-N 1 0 321.856 2.277 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515815 526524706 /nfs/dbraw/zinc/52/47/06/526524706.db2.gz LKGPZZUQHCHGGK-MRXNPFEDSA-N 1 0 316.449 2.240 10 30 DEEERO C#CCCCC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000192025162 526678424 /nfs/dbraw/zinc/67/84/24/526678424.db2.gz CMKZDYDDLBUFHN-HOTGVXAUSA-N 1 0 306.450 2.138 10 30 DEEERO C=C(C)Cn1c(C2CC2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000338804604 526725103 /nfs/dbraw/zinc/72/51/03/526725103.db2.gz CCNPEIWWWPSVSC-HNNXBMFYSA-N 1 0 301.438 2.406 10 30 DEEERO C=C(C)Cn1c(CC2CC2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000338801158 526728457 /nfs/dbraw/zinc/72/84/57/526728457.db2.gz UEYMHZSZSCORDY-INIZCTEOSA-N 1 0 315.465 2.481 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000368161156 526800765 /nfs/dbraw/zinc/80/07/65/526800765.db2.gz RVPSBYDRITWIBW-ZQIUZPCESA-N 1 0 312.429 2.296 10 30 DEEERO C=CC[C@@H](CC)NC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000341374596 527041392 /nfs/dbraw/zinc/04/13/92/527041392.db2.gz MDJSJIOZHHXHTB-CQSZACIVSA-N 1 0 318.421 2.277 10 30 DEEERO C#CCOc1ccccc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000377771592 527127406 /nfs/dbraw/zinc/12/74/06/527127406.db2.gz OUTBGSFJFKTZDG-UHFFFAOYSA-N 1 0 307.393 2.318 10 30 DEEERO C=CCCCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000448382798 527217431 /nfs/dbraw/zinc/21/74/31/527217431.db2.gz AFQPOPKZQHKWEM-IRXDYDNUSA-N 1 0 322.497 2.153 10 30 DEEERO C=CCc1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc(OC)c1O ZINC000368216578 527244088 /nfs/dbraw/zinc/24/40/88/527244088.db2.gz AJBCSKYEXGTNFV-CQSZACIVSA-N 1 0 313.401 2.500 10 30 DEEERO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000340945062 527249010 /nfs/dbraw/zinc/24/90/10/527249010.db2.gz CBDHLIGUUGVMNC-CVEARBPZSA-N 1 0 324.465 2.465 10 30 DEEERO C=CCn1c(C2CCC2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000351164416 527308320 /nfs/dbraw/zinc/30/83/20/527308320.db2.gz JZZQEJNAQPEJBQ-HNNXBMFYSA-N 1 0 301.438 2.405 10 30 DEEERO C=CCC[C@H](CCC)[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337528730 527468131 /nfs/dbraw/zinc/46/81/31/527468131.db2.gz COKUKJQOHUNZFH-ILXRZTDVSA-N 1 0 302.484 2.429 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441280843 527634749 /nfs/dbraw/zinc/63/47/49/527634749.db2.gz DFPDKJZDESEYGB-YESZJQIVSA-N 1 0 306.450 2.324 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])NC2CCCCCC2)[C@@H]1n1cccn1 ZINC000263188995 527791071 /nfs/dbraw/zinc/79/10/71/527791071.db2.gz VHSPGKSSJILSIX-OAGGEKHMSA-N 1 0 319.453 2.229 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])Nc2cccc(C)c2)[C@@H]1n1cccn1 ZINC000263183014 527791957 /nfs/dbraw/zinc/79/19/57/527791957.db2.gz ULWPAPAWLJRJAJ-OAGGEKHMSA-N 1 0 313.405 2.337 10 30 DEEERO CCOCC[N@@H+]1CCN(c2ccc(C)c(C#N)n2)C[C@@H]1CC ZINC000302611430 528755164 /nfs/dbraw/zinc/75/51/64/528755164.db2.gz FBDWIMPBADFJQH-HNNXBMFYSA-N 1 0 302.422 2.199 10 30 DEEERO CC[NH+]=C(NC1CCC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261995457 528801808 /nfs/dbraw/zinc/80/18/08/528801808.db2.gz SGSQCDZJDUCJDY-CYBMUJFWSA-N 1 0 321.856 2.421 10 30 DEEERO CC[NH+]=C(NCC1CCC(C(C)C)CC1)N[C@@H]1CCC(=O)NC1 ZINC000261812362 528803598 /nfs/dbraw/zinc/80/35/98/528803598.db2.gz MTIFYZKRLPLRSQ-UYSNPLJNSA-N 1 0 322.497 2.283 10 30 DEEERO CCC(CC)(C[NH2+]Cc1cnc2ccc(C#N)cn12)C(=O)OC ZINC000181569368 534984777 /nfs/dbraw/zinc/98/47/77/534984777.db2.gz UWHOPSKCCMHWRH-UHFFFAOYSA-N 1 0 314.389 2.275 10 30 DEEERO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1CCC[C@@H]1C#N ZINC000262467202 625419176 /nfs/dbraw/zinc/41/91/76/625419176.db2.gz YJCGLSRMXVHEBC-KHMAMNHCSA-N 1 0 304.438 2.047 10 30 DEEERO C#CC[C@H](Cc1ccccc1)Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000804807871 623250549 /nfs/dbraw/zinc/25/05/49/623250549.db2.gz MVLDEJQVBCSORU-OAHLLOKOSA-N 1 0 318.384 2.291 10 30 DEEERO [NH2+]=C(NCCCCOCCc1ccccc1)NC[C@@H]1CCCO1 ZINC000195522624 633129932 /nfs/dbraw/zinc/12/99/32/633129932.db2.gz YTMKUQIOWOVSEM-KRWDZBQOSA-N 1 0 319.449 2.109 10 30 DEEERO CC[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)Oc1ccccc1C ZINC000178562179 635793953 /nfs/dbraw/zinc/79/39/53/635793953.db2.gz RFMNAMZHOFDOPS-HUUCEWRRSA-N 1 0 305.422 2.236 10 30 DEEERO CC[C@@]1(C)CCN(C(NCc2cn3c(n2)CCCC3)=[NH+]C)C1 ZINC000261838605 636582714 /nfs/dbraw/zinc/58/27/14/636582714.db2.gz WIWCIGLYFAPAOV-KRWDZBQOSA-N 1 0 303.454 2.417 10 30 DEEERO COc1ccc(C[NH2+]Cc2cc(C(N)=O)cs2)cc1C#N ZINC000746742168 638374602 /nfs/dbraw/zinc/37/46/02/638374602.db2.gz QLVJKHOERDHMJF-UHFFFAOYSA-N 1 0 301.371 2.017 10 30 DEEERO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2CCOC)cc1 ZINC000163331732 639733118 /nfs/dbraw/zinc/73/31/18/639733118.db2.gz GHWZICOFYPFGHB-FUHWJXTLSA-N 1 0 316.445 2.460 10 30 DEEERO C#CCOc1ccc(Br)cc1C[NH2+]CC[C@@H](C)O ZINC000078781938 640649308 /nfs/dbraw/zinc/64/93/08/640649308.db2.gz DPWDFZHQTDEMHQ-LLVKDONJSA-N 1 0 312.207 2.322 10 30 DEEERO C[NH+](C)CC(C)(C)CNC(=S)NCc1ccc(C#N)cc1F ZINC000729821615 640846026 /nfs/dbraw/zinc/84/60/26/640846026.db2.gz QKPVNJXELNNSEU-UHFFFAOYSA-N 1 0 322.453 2.249 10 30 DEEERO C=C(C[NH+](C)C)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000803418699 645650357 /nfs/dbraw/zinc/65/03/57/645650357.db2.gz NWYDBXIIMVVXNV-UHFFFAOYSA-N 1 0 323.387 2.121 10 30 DEEERO C=CCc1cc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c(O)c(OC)c1 ZINC000164138972 646419642 /nfs/dbraw/zinc/41/96/42/646419642.db2.gz YGFWPDLGLFPABA-INIZCTEOSA-N 1 0 318.417 2.230 10 30 DEEERO C=C(Br)CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174376735 646805737 /nfs/dbraw/zinc/80/57/37/646805737.db2.gz WOUNZFMEHXGPHW-MNOVXSKESA-N 1 0 304.232 2.019 10 30 DEEERO C[C@@](O)(CNC(=[NH2+])NCCc1cccs1)c1ccc(F)cc1 ZINC000305706448 685294340 /nfs/dbraw/zinc/29/43/40/685294340.db2.gz QTIDHQIDOIOMNB-MRXNPFEDSA-N 1 0 321.421 2.242 10 30 DEEERO COc1ccccc1CNC(=[NH2+])NCc1nc2c(cccc2C)[nH]1 ZINC000120461698 684095822 /nfs/dbraw/zinc/09/58/22/684095822.db2.gz CBQJYKQDDXYDMI-UHFFFAOYSA-N 1 0 323.400 2.484 10 30 DEEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)C[C@@H]1CCCO1 ZINC000131186367 684197656 /nfs/dbraw/zinc/19/76/56/684197656.db2.gz JVILKJTYAJBGIG-INIZCTEOSA-N 1 0 311.389 2.194 10 30 DEEERO CC(C)(C)OC(=O)N1CCN2C(NCC3(C)CCC3)=[NH+]C[C@H]2C1 ZINC000133996161 684224577 /nfs/dbraw/zinc/22/45/77/684224577.db2.gz KOZYWLIYWPNZBN-ZDUSSCGKSA-N 1 0 322.453 2.057 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC000245914551 685120137 /nfs/dbraw/zinc/12/01/37/685120137.db2.gz DYIKVHYOPRSYME-XHSDSOJGSA-N 1 0 323.433 2.243 10 30 DEEERO C=CCc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c(O)c(OC)c1 ZINC000246839106 685137796 /nfs/dbraw/zinc/13/77/96/685137796.db2.gz QJEWIAZFFFRBNS-INIZCTEOSA-N 1 0 302.418 2.409 10 30 DEEERO COc1cccc(N2CC[C@@H](CNC(=[NH2+])NCC3CCC3)C2)c1 ZINC000303974211 685241392 /nfs/dbraw/zinc/24/13/92/685241392.db2.gz HRCBYLGENUPHDD-HNNXBMFYSA-N 1 0 316.449 2.226 10 30 DEEERO CN1C(=O)C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@@H]1c1ccncc1 ZINC000886033189 691988493 /nfs/dbraw/zinc/98/84/93/691988493.db2.gz NXTFPWSZGVFFGS-HKUYNNGSSA-N 1 0 320.396 2.262 10 30 DEEERO C[NH+](C)Cc1cc(O[C@@H]2CCN(c3ccc(C#N)cn3)C2)ccn1 ZINC000886068815 691996960 /nfs/dbraw/zinc/99/69/60/691996960.db2.gz WCROHEZRMVTFJW-QGZVFWFLSA-N 1 0 323.400 2.068 10 30 DEEERO Cc1nn(C)cc1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000886068685 691996968 /nfs/dbraw/zinc/99/69/68/691996968.db2.gz IWVYIOAYPYPABW-DOTOQJQBSA-N 1 0 314.364 2.359 10 30 DEEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CC(=O)N(C)C ZINC000249703769 717164510 /nfs/dbraw/zinc/16/45/10/717164510.db2.gz KWHCPBNXSSMHPG-FQEVSTJZSA-N 1 0 318.397 2.342 10 30 DEEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CC(=O)NC ZINC000249701333 717164608 /nfs/dbraw/zinc/16/46/08/717164608.db2.gz HUKSBGTZLZEPLO-LJQANCHMSA-O 1 0 304.370 2.000 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405258666 802046165 /nfs/dbraw/zinc/04/61/65/802046165.db2.gz MBJHPPIOQHRBPM-MCIONIFRSA-N 1 0 310.438 2.349 10 30 DEEERO C=CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CC2)cc1 ZINC000162588292 197576758 /nfs/dbraw/zinc/57/67/58/197576758.db2.gz NUEQNWCOWWJDKV-UHFFFAOYSA-N 1 0 308.447 2.178 10 30 DEEERO C=CCN(C)S(=O)(=O)c1cc(C[NH2+]CCC)cc(F)c1C ZINC000162549084 197574311 /nfs/dbraw/zinc/57/43/11/197574311.db2.gz LQIRVKKJXQSQEM-UHFFFAOYSA-N 1 0 314.426 2.440 10 30 DEEERO COc1ccc(C#CC[NH3+])c(CSc2cc(C)nn2C)c1 ZINC000087796036 185232016 /nfs/dbraw/zinc/23/20/16/185232016.db2.gz SRBHETULNBAKIQ-UHFFFAOYSA-N 1 0 301.415 2.340 10 30 DEEERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C#N)cc1Br ZINC000092952622 185350296 /nfs/dbraw/zinc/35/02/96/185350296.db2.gz TVEMDSNJZKTUPE-WPRPVWTQSA-N 1 0 308.179 2.257 10 30 DEEERO N#C[C@@]1(F)CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000615825425 362708834 /nfs/dbraw/zinc/70/88/34/362708834.db2.gz KYCPPLTVVXTBMI-KRWDZBQOSA-N 1 0 301.365 2.360 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000625532474 365817666 /nfs/dbraw/zinc/81/76/66/365817666.db2.gz JJAWUTIAFNWHCS-HNNXBMFYSA-N 1 0 323.481 2.038 10 30 DEEERO C[C@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(C#N)cc1Br ZINC000133682046 186006477 /nfs/dbraw/zinc/00/64/77/186006477.db2.gz NNOIZROBVGWOGR-ZYHUDNBSSA-N 1 0 324.222 2.500 10 30 DEEERO CC(C)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)N1CCOCC1 ZINC000181871148 186212648 /nfs/dbraw/zinc/21/26/48/186212648.db2.gz VMEGQCAXXGZILU-PBHICJAKSA-N 1 0 315.417 2.092 10 30 DEEERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cccc(C#N)c2)CC1 ZINC000171922309 198008838 /nfs/dbraw/zinc/00/88/38/198008838.db2.gz XYHVRFZNYIKGHK-LJQANCHMSA-N 1 0 312.461 2.160 10 30 DEEERO C=CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000617413145 363126055 /nfs/dbraw/zinc/12/60/55/363126055.db2.gz DEEKAILBGIVCBX-CQSZACIVSA-N 1 0 304.390 2.084 10 30 DEEERO CCOc1ccc(C#N)cc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333160268 539949920 /nfs/dbraw/zinc/94/99/20/539949920.db2.gz NUJYXZKMZFIIMJ-KGLIPLIRSA-N 1 0 314.389 2.030 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173650973 198236357 /nfs/dbraw/zinc/23/63/57/198236357.db2.gz JGISEMAUBVSTPW-GDBMZVCRSA-N 1 0 302.422 2.146 10 30 DEEERO N#C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@]12C(=O)Nc1ccccc12 ZINC000328696347 283061183 /nfs/dbraw/zinc/06/11/83/283061183.db2.gz UFJAJXMRRGFXAK-LBTNJELSSA-N 1 0 311.385 2.408 10 30 DEEERO N#Cc1cc(F)c(C(=O)N2CCC[N@@H+](C3CC3)CC2)c(F)c1 ZINC000176126942 283095506 /nfs/dbraw/zinc/09/55/06/283095506.db2.gz JXLWUTZBUAOWTD-UHFFFAOYSA-N 1 0 305.328 2.147 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC(=O)OC(C)(C)C ZINC000595603884 358498479 /nfs/dbraw/zinc/49/84/79/358498479.db2.gz QAIJURJYVFUNBF-KGLIPLIRSA-N 1 0 310.438 2.169 10 30 DEEERO C=C(C)COCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179199408 356016811 /nfs/dbraw/zinc/01/68/11/356016811.db2.gz RFKDPEXKQRNEGP-IAGOWNOFSA-N 1 0 317.433 2.324 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182265087 356117916 /nfs/dbraw/zinc/11/79/16/356117916.db2.gz QMYBXCBRMUNFQF-ZDUSSCGKSA-N 1 0 302.374 2.267 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000183218415 356163834 /nfs/dbraw/zinc/16/38/34/356163834.db2.gz UXZZCZFCXPEKQR-MRXNPFEDSA-N 1 0 315.417 2.302 10 30 DEEERO C=CCCC[C@@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000182621430 356134362 /nfs/dbraw/zinc/13/43/62/356134362.db2.gz YIKJRVFFQWHMCT-OAHLLOKOSA-N 1 0 316.449 2.308 10 30 DEEERO N#CC1(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000593067394 358000387 /nfs/dbraw/zinc/00/03/87/358000387.db2.gz KMMQDAZVBFGQRK-ROUUACIJSA-N 1 0 311.429 2.265 10 30 DEEERO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000179738390 199074006 /nfs/dbraw/zinc/07/40/06/199074006.db2.gz SFMVVBWHFUVEJU-GFCCVEGCSA-N 1 0 305.378 2.498 10 30 DEEERO C=CC[N@@H+](CCCC(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000593954939 358177767 /nfs/dbraw/zinc/17/77/67/358177767.db2.gz UPHGZKAETLJUJL-UHFFFAOYSA-N 1 0 305.378 2.451 10 30 DEEERO C=CC[C@]1(C(=O)N2CC[C@@](C(=O)OCC)(C(C)C)C2)CCC[NH2+]1 ZINC000595961271 358586307 /nfs/dbraw/zinc/58/63/07/358586307.db2.gz GMDPMAGSJRLNRE-ZWKOTPCHSA-N 1 0 322.449 2.123 10 30 DEEERO C=CCOCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000618966982 363651098 /nfs/dbraw/zinc/65/10/98/363651098.db2.gz LSANSLVNFCBBPF-UHFFFAOYSA-N 1 0 311.389 2.151 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599530423 359517479 /nfs/dbraw/zinc/51/74/79/359517479.db2.gz WZTLNWZEPNIBEH-UONOGXRCSA-N 1 0 306.362 2.233 10 30 DEEERO C=CCC1([NH2+]Cc2cccc(C(=O)OCC)n2)CCOCC1 ZINC000600179558 359678147 /nfs/dbraw/zinc/67/81/47/359678147.db2.gz BIWTZRDGSPRQMW-UHFFFAOYSA-N 1 0 304.390 2.473 10 30 DEEERO C[C@@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000187909554 200174823 /nfs/dbraw/zinc/17/48/23/200174823.db2.gz KTESMFBWIGYNBO-RDTXWAMCSA-N 1 0 315.417 2.370 10 30 DEEERO C=C(C)C[C@@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)C(=O)OC ZINC000601788103 360150492 /nfs/dbraw/zinc/15/04/92/360150492.db2.gz QMLZRQOHVDZSCS-HZPDHXFCSA-N 1 0 318.417 2.303 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000602088543 360259547 /nfs/dbraw/zinc/25/95/47/360259547.db2.gz PHGPYZWGWNUQBO-HNNXBMFYSA-N 1 0 317.389 2.451 10 30 DEEERO C[C@H]1C[C@@H](NC(=O)c2ccnc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000193513618 201066282 /nfs/dbraw/zinc/06/62/82/201066282.db2.gz XKOTULFZVJADHK-KBXCAEBGSA-N 1 0 320.396 2.346 10 30 DEEERO N#Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000193624300 201090208 /nfs/dbraw/zinc/09/02/08/201090208.db2.gz IKXYPULCRUHTRW-PBHICJAKSA-N 1 0 310.401 2.042 10 30 DEEERO C=CCOCC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611559925 361631414 /nfs/dbraw/zinc/63/14/14/361631414.db2.gz OSMCTYAGRHRDMT-GFCCVEGCSA-N 1 0 307.350 2.104 10 30 DEEERO C=C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C(=O)OC ZINC000619702774 363861323 /nfs/dbraw/zinc/86/13/23/363861323.db2.gz RTZQPVYHMCRAIM-YDHLFZDLSA-N 1 0 308.447 2.448 10 30 DEEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000622180605 364691345 /nfs/dbraw/zinc/69/13/45/364691345.db2.gz QMIGEWXMZAZFNS-IXDOHACOSA-N 1 0 306.450 2.489 10 30 DEEERO C=CC[C@H]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000623628341 365107393 /nfs/dbraw/zinc/10/73/93/365107393.db2.gz IJBUZPSLUDZSEL-JKSUJKDBSA-N 1 0 321.465 2.095 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)cc1 ZINC000623839865 365194481 /nfs/dbraw/zinc/19/44/81/365194481.db2.gz GKPDVSBPVGUZHF-QGZVFWFLSA-N 1 0 300.402 2.494 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000624460242 365428920 /nfs/dbraw/zinc/42/89/20/365428920.db2.gz RHKBSSAVDMAHKA-UHFFFAOYSA-N 1 0 323.481 2.485 10 30 DEEERO C=C(Br)COc1ccc(C)nc1C[NH2+]CCOC ZINC000091996479 193138275 /nfs/dbraw/zinc/13/82/75/193138275.db2.gz LSNRKMZSIIYHQR-UHFFFAOYSA-N 1 0 315.211 2.413 10 30 DEEERO C=CCCn1cc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)nn1 ZINC000631236499 368096008 /nfs/dbraw/zinc/09/60/08/368096008.db2.gz FHSUFSPTNCOHRM-QGZVFWFLSA-N 1 0 318.396 2.077 10 30 DEEERO C=CCCC(C)(C)C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000631678999 368338916 /nfs/dbraw/zinc/33/89/16/368338916.db2.gz CSTDAJCTBUZTOD-UHFFFAOYSA-N 1 0 323.525 2.365 10 30 DEEERO CSc1ccccc1C(=O)Nc1ncc(C#CC[NH3+])s1 ZINC000092232655 193177423 /nfs/dbraw/zinc/17/74/23/193177423.db2.gz UTOOAHUGBHXNGQ-UHFFFAOYSA-N 1 0 303.412 2.428 10 30 DEEERO C=CCN1C(=[NH2+])NC[C@@H]1c1ccc(OC)c(Br)c1 ZINC000093375398 193240645 /nfs/dbraw/zinc/24/06/45/193240645.db2.gz DIZAYUBFPOQGBP-LLVKDONJSA-N 1 0 310.195 2.315 10 30 DEEERO C=CCN1C(=[NH2+])NC[C@H]1c1cc(Br)ccc1OC ZINC000093375462 193241070 /nfs/dbraw/zinc/24/10/70/193241070.db2.gz HCGWLSPMJNNOOZ-NSHDSACASA-N 1 0 310.195 2.315 10 30 DEEERO CCOCC[N@@H+]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000159923803 197374350 /nfs/dbraw/zinc/37/43/50/197374350.db2.gz QBPOKKQTZLEMIL-INIZCTEOSA-N 1 0 304.409 2.220 10 30 DEEERO N#C[C@H](c1ccc(Br)s1)N1CCC[NH2+]CC1 ZINC000041678848 183216322 /nfs/dbraw/zinc/21/63/22/183216322.db2.gz RKIRHOCBTDLGPT-SECBINFHSA-N 1 0 300.225 2.371 10 30 DEEERO C#CC[NH2+]CC(=O)N(CC)Cc1ccc(Br)s1 ZINC000105965072 194174824 /nfs/dbraw/zinc/17/48/24/194174824.db2.gz QQARXDOAFBDOJM-UHFFFAOYSA-N 1 0 315.236 2.082 10 30 DEEERO COc1ccc([C@H](C#N)N2CCC[NH2+]CC2)c(Cl)c1OC ZINC000110830014 194362103 /nfs/dbraw/zinc/36/21/03/194362103.db2.gz NOXUCDBKAVHOHN-LBPRGKRZSA-N 1 0 309.797 2.217 10 30 DEEERO [NH3+]CC#Cc1ccc(Cl)c(NS(=O)(=O)c2ccccc2)c1 ZINC000061692080 184183270 /nfs/dbraw/zinc/18/32/70/184183270.db2.gz OFCBJGVPCHIYHF-UHFFFAOYSA-N 1 0 320.801 2.451 10 30 DEEERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)n1cnc(C#N)n1 ZINC000061842027 184189658 /nfs/dbraw/zinc/18/96/58/184189658.db2.gz FPJJRAPQIJIOEF-AAEUAGOBSA-N 1 0 320.194 2.239 10 30 DEEERO C#CCNC(=O)COc1ccc(C[NH2+]CC(C)C)cc1Cl ZINC000062730390 184251601 /nfs/dbraw/zinc/25/16/01/184251601.db2.gz OCHNXXSEROVGBF-UHFFFAOYSA-N 1 0 308.809 2.214 10 30 DEEERO C[C@@H]([NH3+])[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000063195478 184277899 /nfs/dbraw/zinc/27/78/99/184277899.db2.gz PUSGLKJIDOJHRB-DGCLKSJQSA-N 1 0 306.435 2.150 10 30 DEEERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(C#N)s2)CC1 ZINC000120055818 195088344 /nfs/dbraw/zinc/08/83/44/195088344.db2.gz HZNQMUICJFQAKY-OAHLLOKOSA-N 1 0 318.490 2.222 10 30 DEEERO C#CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000270197376 208262988 /nfs/dbraw/zinc/26/29/88/208262988.db2.gz DNNXAPGTVGAUSD-MSOLQXFVSA-N 1 0 309.413 2.407 10 30 DEEERO CC1(C)CN(C(=O)c2cc(C#CC[NH3+])ccc2F)CCS1 ZINC000159029338 197320828 /nfs/dbraw/zinc/32/08/28/197320828.db2.gz JKWQDFLNPAAGCV-UHFFFAOYSA-N 1 0 306.406 2.104 10 30 DEEERO [NH3+]CC#Cc1cc(F)ccc1C(=O)NC[C@@H]1CCCCS1 ZINC000156568251 197124055 /nfs/dbraw/zinc/12/40/55/197124055.db2.gz UALGCMMTAZWYHN-AWEZNQCLSA-N 1 0 306.406 2.151 10 30 DEEERO CC(C)[N@@H+]1CCO[C@@H]2CCN(Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC000248003433 257111407 /nfs/dbraw/zinc/11/14/07/257111407.db2.gz OKKURWVQJFXVSV-QZTJIDSGSA-N 1 0 317.408 2.381 10 30 DEEERO C=CCCOCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000122707566 195489579 /nfs/dbraw/zinc/48/95/79/195489579.db2.gz UKCNVACVEIPNIO-INIZCTEOSA-N 1 0 309.454 2.239 10 30 DEEERO C[C@@H]1CCCN(C(=[NH2+])NCCc2cc(F)cc3c2OCOC3)C1 ZINC000262020139 533635534 /nfs/dbraw/zinc/63/55/34/533635534.db2.gz XOKIRMIMCFXPQG-GFCCVEGCSA-N 1 0 321.396 2.281 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)Cn2ccc3ccccc3c2=O)C1 ZINC000329871238 404477626 /nfs/dbraw/zinc/47/76/26/404477626.db2.gz CGDGKJUMTMCZEE-HNNXBMFYSA-N 1 0 313.401 2.442 10 30 DEEERO C[C@H](NCC1([NH+](C)C)CCOCC1)c1ccc(C#N)cc1F ZINC000358568460 147157588 /nfs/dbraw/zinc/15/75/88/147157588.db2.gz LCGXKWCVJAHMAO-ZDUSSCGKSA-N 1 0 305.397 2.459 10 30 DEEERO C=C(C)COCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000127885199 401754021 /nfs/dbraw/zinc/75/40/21/401754021.db2.gz HHYFHZVILWXAEJ-INIZCTEOSA-N 1 0 305.422 2.181 10 30 DEEERO C[NH+](C)C[C@H]1CN(Cc2cccc(OCCCC#N)c2)CCO1 ZINC000128253878 401768851 /nfs/dbraw/zinc/76/88/51/401768851.db2.gz BNUHSZOZKWRDHO-SFHVURJKSA-N 1 0 317.433 2.132 10 30 DEEERO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)N(C)CCC#N)C12CCCC2 ZINC000131901821 401858825 /nfs/dbraw/zinc/85/88/25/401858825.db2.gz HCMHNZULBAIXKP-HOTGVXAUSA-N 1 0 321.465 2.418 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000125791265 402250300 /nfs/dbraw/zinc/25/03/00/402250300.db2.gz BMVJWKIHHRCDOI-ZDUSSCGKSA-N 1 0 304.390 2.084 10 30 DEEERO C=CCCC(=O)N1CCCN(Cc2cnn(CCC)c2)CC1 ZINC000105834855 402209608 /nfs/dbraw/zinc/20/96/08/402209608.db2.gz QVOIOKBTTHVBSQ-UHFFFAOYSA-N 1 0 304.438 2.294 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105900610 402210868 /nfs/dbraw/zinc/21/08/68/402210868.db2.gz SEDRRHWHYFWKHV-MRXNPFEDSA-N 1 0 304.438 2.253 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000184587371 402279705 /nfs/dbraw/zinc/27/97/05/402279705.db2.gz ZVUDAEJRCOEAGB-QAPCUYQASA-N 1 0 316.445 2.124 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(C#N)cc1F ZINC000176336462 402300845 /nfs/dbraw/zinc/30/08/45/402300845.db2.gz CKRXKFKWQSUBOZ-OAHLLOKOSA-N 1 0 318.396 2.323 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000185045303 402320301 /nfs/dbraw/zinc/32/03/01/402320301.db2.gz BWKFTSXJOYOZFX-CQSZACIVSA-N 1 0 316.401 2.180 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1OCC#N ZINC000176980766 402356275 /nfs/dbraw/zinc/35/62/75/402356275.db2.gz YDRZZCTZEOZRCM-CQSZACIVSA-N 1 0 301.390 2.145 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(C#N)cc1 ZINC000177371712 402395542 /nfs/dbraw/zinc/39/55/42/402395542.db2.gz CJIKYBWNVIMNDW-INIZCTEOSA-N 1 0 300.406 2.184 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cc(C#N)ccc1F ZINC000177554005 402415502 /nfs/dbraw/zinc/41/55/02/402415502.db2.gz XRPUBQRVLRJOAL-HNNXBMFYSA-N 1 0 318.396 2.323 10 30 DEEERO CN1CCO[C@@H](CNc2cccc(Br)c2C#N)C1 ZINC000168566256 402496520 /nfs/dbraw/zinc/49/65/20/402496520.db2.gz GWPSGOGTZDCGKZ-JTQLQIEISA-N 1 0 310.195 2.063 10 30 DEEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246045914 402505576 /nfs/dbraw/zinc/50/55/76/402505576.db2.gz PJMLUGDGSUJXLF-ZWKOTPCHSA-N 1 0 310.401 2.261 10 30 DEEERO N#Cc1ccc(SCC(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000171294360 402575036 /nfs/dbraw/zinc/57/50/36/402575036.db2.gz JMXLWNVSDUIYGN-UHFFFAOYSA-N 1 0 315.442 2.347 10 30 DEEERO Cc1cccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1O ZINC000179640745 402596551 /nfs/dbraw/zinc/59/65/51/402596551.db2.gz IHSTZFQQCJPSLE-UHFFFAOYSA-N 1 0 308.385 2.290 10 30 DEEERO CC[C@@H]1CN(Cc2ccc(C#N)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000249154596 402622443 /nfs/dbraw/zinc/62/24/43/402622443.db2.gz ZYDULGCNQIWYOI-MAUKXSAKSA-N 1 0 301.434 2.144 10 30 DEEERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(C#N)cc1 ZINC000181504451 402647232 /nfs/dbraw/zinc/64/72/32/402647232.db2.gz ZHJKDPWLQXOMGL-ZDUSSCGKSA-N 1 0 304.357 2.385 10 30 DEEERO CCOCC[N@@H+]1CCN(CC#Cc2ccccc2)C[C@H]1CC ZINC000192001834 402703559 /nfs/dbraw/zinc/70/35/59/402703559.db2.gz TYOHVGTZVNJORS-LJQANCHMSA-N 1 0 300.446 2.471 10 30 DEEERO C[C@H](C(=O)NCCOc1ccc(C#N)cc1)[NH+]1CCCCCC1 ZINC000173902754 402718255 /nfs/dbraw/zinc/71/82/55/402718255.db2.gz MDTLHWPOKQJGHQ-OAHLLOKOSA-N 1 0 315.417 2.318 10 30 DEEERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000182900161 402725659 /nfs/dbraw/zinc/72/56/59/402725659.db2.gz TYWSBHXYDHORFG-ZBFHGGJFSA-N 1 0 315.417 2.041 10 30 DEEERO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184331490 402836114 /nfs/dbraw/zinc/83/61/14/402836114.db2.gz NGAZYMVKLDYXOR-ZIAGYGMSSA-N 1 0 314.389 2.289 10 30 DEEERO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000278965821 402891409 /nfs/dbraw/zinc/89/14/09/402891409.db2.gz XATYIALFCQPLSK-PKOBYXMFSA-N 1 0 316.445 2.484 10 30 DEEERO C=CCN1CC[C@H](N2C[C@@H](c3ccccc3)OC[C@H]2C)C1=O ZINC000281919088 403104462 /nfs/dbraw/zinc/10/44/62/403104462.db2.gz HAFHKRNVTMSOKU-PVAVHDDUSA-N 1 0 300.402 2.235 10 30 DEEERO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](CCC)CC1 ZINC000282443243 403154394 /nfs/dbraw/zinc/15/43/94/403154394.db2.gz ZOTXPCIUMPEDBO-UHFFFAOYSA-N 1 0 312.421 2.058 10 30 DEEERO C#CCC(CC#C)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000277798925 403258096 /nfs/dbraw/zinc/25/80/96/403258096.db2.gz VLXCGKPLZLUXSP-UHFFFAOYSA-N 1 0 314.404 2.379 10 30 DEEERO C=CCOCC[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C ZINC000339137175 403367499 /nfs/dbraw/zinc/36/74/99/403367499.db2.gz AABAMQBECLKROC-AEFFLSMTSA-N 1 0 305.418 2.231 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000288259865 403744282 /nfs/dbraw/zinc/74/42/82/403744282.db2.gz FSNXKSVFILNPAK-QFBILLFUSA-N 1 0 308.425 2.428 10 30 DEEERO C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC[N@@H+](C2CC2)C1 ZINC000334096334 403909639 /nfs/dbraw/zinc/90/96/39/403909639.db2.gz SEMCADVZWOFRIX-KKUMJFAQSA-N 1 0 304.438 2.194 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1 ZINC000344318348 404055882 /nfs/dbraw/zinc/05/58/82/404055882.db2.gz AYTHKIQZNZIVMU-INIZCTEOSA-N 1 0 309.431 2.308 10 30 DEEERO CC(C)c1noc([C@@H](NC(=O)C[NH+](C)C)C2CCOCC2)n1 ZINC000328614575 404115320 /nfs/dbraw/zinc/11/53/20/404115320.db2.gz AKTXKVISRTXTSN-ZDUSSCGKSA-N 1 0 310.398 2.179 10 30 DEEERO C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000328918292 404174482 /nfs/dbraw/zinc/17/44/82/404174482.db2.gz AFDUZRDPMZKFJQ-TTZDDIAXSA-N 1 0 320.437 2.185 10 30 DEEERO Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCN1C ZINC000329018255 404203082 /nfs/dbraw/zinc/20/30/82/404203082.db2.gz KWZGDQBZPLQPHL-WBTNSWJXSA-N 1 0 301.438 2.085 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C3CC3)c(C)cc2=O)C1 ZINC000329233461 404273277 /nfs/dbraw/zinc/27/32/77/404273277.db2.gz GXNYOWUIHPABGQ-ZDUSSCGKSA-N 1 0 303.406 2.281 10 30 DEEERO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)[N@@H+]1CCC[C@@H](C)C1 ZINC000329441118 404337271 /nfs/dbraw/zinc/33/72/71/404337271.db2.gz BGEFCCRTDUQKLJ-IBEHDNSVSA-N 1 0 310.438 2.115 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000329957563 404507798 /nfs/dbraw/zinc/50/77/98/404507798.db2.gz MALCPNPFWCFYHR-CZUORRHYSA-N 1 0 310.442 2.268 10 30 DEEERO C[C@H](CCNC(=O)N1CCc2cncnc2C1)[NH+]1CCCCC1 ZINC000329723586 404432234 /nfs/dbraw/zinc/43/22/34/404432234.db2.gz CVBKPDXATYBOFW-CQSZACIVSA-N 1 0 317.437 2.013 10 30 DEEERO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330208821 404587064 /nfs/dbraw/zinc/58/70/64/404587064.db2.gz BIGAGOPBCCDWKU-VBNZEHGJSA-N 1 0 318.421 2.081 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000353039126 404729532 /nfs/dbraw/zinc/72/95/32/404729532.db2.gz OXLPLTSFFCLYSU-ZDUSSCGKSA-N 1 0 309.431 2.307 10 30 DEEERO C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000357276960 404732063 /nfs/dbraw/zinc/73/20/63/404732063.db2.gz SGUVORSVKAWDNB-UXLLHSPISA-N 1 0 319.449 2.222 10 30 DEEERO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)CN1CCOCC1 ZINC000358571217 404767152 /nfs/dbraw/zinc/76/71/52/404767152.db2.gz OVLYQPFYNGSDFG-KGLIPLIRSA-N 1 0 305.397 2.316 10 30 DEEERO C=CCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000366322323 404786769 /nfs/dbraw/zinc/78/67/69/404786769.db2.gz XTNOIEBVNQBYBB-UHFFFAOYSA-N 1 0 305.344 2.277 10 30 DEEERO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CC12COC2 ZINC000451145818 404879482 /nfs/dbraw/zinc/87/94/82/404879482.db2.gz ZIKIXZIWURCVKY-CJNGLKHVSA-N 1 0 314.385 2.131 10 30 DEEERO N#Cc1nccc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000379673811 405027223 /nfs/dbraw/zinc/02/72/23/405027223.db2.gz RTQBOBNPZBJIAH-MRXNPFEDSA-N 1 0 307.401 2.237 10 30 DEEERO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)ccc1C#N ZINC000407961154 405076312 /nfs/dbraw/zinc/07/63/12/405076312.db2.gz BHGWPNVSEKRGMQ-RCCFBDPRSA-N 1 0 300.402 2.229 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000425353129 405278777 /nfs/dbraw/zinc/27/87/77/405278777.db2.gz LGNMUTHPWIBQAZ-QRTARXTBSA-N 1 0 323.458 2.374 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000420781281 405382656 /nfs/dbraw/zinc/38/26/56/405382656.db2.gz AWZQFLYQLMEFGD-HOTGVXAUSA-N 1 0 309.454 2.284 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1=CCOCC1)C(C)C ZINC000455222470 405388535 /nfs/dbraw/zinc/38/85/35/405388535.db2.gz JDDLHSUIQHDJJS-QGZVFWFLSA-N 1 0 321.465 2.331 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000448943713 405467286 /nfs/dbraw/zinc/46/72/86/405467286.db2.gz AITCVAAVGBGZRE-OAHLLOKOSA-N 1 0 308.385 2.030 10 30 DEEERO C=C1CC(C)(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1 ZINC000633212100 405505693 /nfs/dbraw/zinc/50/56/93/405505693.db2.gz JJQBIALFWGPVQX-XYPWUTKMSA-N 1 0 306.450 2.443 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638644383 405590266 /nfs/dbraw/zinc/59/02/66/405590266.db2.gz PZYWLYPFDYPFCF-CHWSQXEVSA-N 1 0 304.390 2.130 10 30 DEEERO C=CC[C@]1(C(=O)Nc2ccc(COC)c(OC)c2)CCC[NH2+]1 ZINC000638741115 405642801 /nfs/dbraw/zinc/64/28/01/405642801.db2.gz FDRMYSJGPNPZFN-QGZVFWFLSA-N 1 0 304.390 2.478 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000638874125 405730982 /nfs/dbraw/zinc/73/09/82/405730982.db2.gz FSIPZELQTIUNGS-UHFFFAOYSA-N 1 0 304.438 2.070 10 30 DEEERO C=CCC1(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)CCOCC1 ZINC000638882408 405738135 /nfs/dbraw/zinc/73/81/35/405738135.db2.gz RWYVTBRDAUQNBP-KRWDZBQOSA-N 1 0 316.445 2.436 10 30 DEEERO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)n2C)C[N@@H+]1Cc1ccccc1 ZINC000450107408 405743050 /nfs/dbraw/zinc/74/30/50/405743050.db2.gz QTNDYAYVCIWKDB-GDBMZVCRSA-N 1 0 322.412 2.290 10 30 DEEERO C=CC(C)(C)CC[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000639344347 406057664 /nfs/dbraw/zinc/05/76/64/406057664.db2.gz XMVCJBSGEROURK-UHFFFAOYSA-N 1 0 302.484 2.429 10 30 DEEERO C=CCCC1(C[NH2+]C[C@H](O)CC2(O)CCOCC2)CCCC1 ZINC000634649129 406207043 /nfs/dbraw/zinc/20/70/43/406207043.db2.gz HIJQFZGNDUOBSL-MRXNPFEDSA-N 1 0 311.466 2.395 10 30 DEEERO C=CCC[C@@H](CO)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000637367122 406280030 /nfs/dbraw/zinc/28/00/30/406280030.db2.gz IOJCDFUEVCFRKB-HOCLYGCPSA-N 1 0 309.454 2.020 10 30 DEEERO N#Cc1ccc(Cl)cc1N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC000130851269 196115629 /nfs/dbraw/zinc/11/56/29/196115629.db2.gz YOPGPTQFPIQMHT-OAHLLOKOSA-N 1 0 304.825 2.213 10 30 DEEERO CC(C)[NH2+][C@@H]1CCN(c2ccc(Br)cc2C#N)C1=O ZINC000133030120 196306468 /nfs/dbraw/zinc/30/64/68/196306468.db2.gz PTRJHMMDYLKIOS-GFCCVEGCSA-N 1 0 322.206 2.424 10 30 DEEERO COc1cccc(C(F)(F)CNC(=[NH2+])N2CCC[C@H](C)C2)n1 ZINC000262671782 225280136 /nfs/dbraw/zinc/28/01/36/225280136.db2.gz RIVMZNMOFVHXCV-NSHDSACASA-N 1 0 312.364 2.229 10 30 DEEERO CCn1cc([C@@H]2OCC[C@H]2CNC(=[NH2+])N2CCC[C@@H](C)C2)cn1 ZINC000263064886 225290602 /nfs/dbraw/zinc/29/06/02/225290602.db2.gz FZKODQBIJJCRPG-IJEWVQPXSA-N 1 0 319.453 2.027 10 30 DEEERO C[C@@H]1CN(C(C)(C)CNC(=[NH2+])NC2CCCCC2)C[C@@H](C)O1 ZINC000263107227 225291293 /nfs/dbraw/zinc/29/12/93/225291293.db2.gz DBOYFUDGFZJXDA-ZIAGYGMSSA-N 1 0 310.486 2.111 10 30 DEEERO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249888109 225245604 /nfs/dbraw/zinc/24/56/04/225245604.db2.gz PSWFJWUJMHTEHV-CHWSQXEVSA-N 1 0 306.435 2.083 10 30 DEEERO COc1ccc([C@H]2C[C@H](NC(=[NH2+])NC[C@@H]3CCCO3)C2)cc1F ZINC000261874004 225257853 /nfs/dbraw/zinc/25/78/53/225257853.db2.gz SSDFPSOPPRHYPQ-IHRRRGAJSA-N 1 0 321.396 2.164 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1cccnc1C#N ZINC000291095352 222133418 /nfs/dbraw/zinc/13/34/18/222133418.db2.gz JVVXNRVXNGTAIH-KBXCAEBGSA-N 1 0 324.432 2.206 10 30 DEEERO C[C@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)C[NH+]1CCCCC1 ZINC000302663441 230338107 /nfs/dbraw/zinc/33/81/07/230338107.db2.gz BOLXRKQIVVVQPS-GFCCVEGCSA-N 1 0 303.366 2.395 10 30 DEEERO C=C(C)C[NH+]1CCC(Nc2nnc(C3CCOCC3)s2)CC1 ZINC000549487058 424873763 /nfs/dbraw/zinc/87/37/63/424873763.db2.gz OFGVLFLHXHYUGO-UHFFFAOYSA-N 1 0 322.478 2.885 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000424145835 424991612 /nfs/dbraw/zinc/99/16/12/424991612.db2.gz VNKLJAMJJLTVTM-KKUMJFAQSA-N 1 0 321.421 2.661 10 30 DEEERO C[NH+]=C(NCC1CCC1)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000261661312 275405557 /nfs/dbraw/zinc/40/55/57/275405557.db2.gz AUGMGSSIBJKRLN-INIZCTEOSA-N 1 0 320.481 2.133 10 30 DEEERO C=CCOCC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000294031572 275432497 /nfs/dbraw/zinc/43/24/97/275432497.db2.gz ICFJKQDUFKKPPX-GDBMZVCRSA-N 1 0 308.809 2.404 10 30 DEEERO C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261831818 276842541 /nfs/dbraw/zinc/84/25/41/276842541.db2.gz VMJCIMQJDHIJLU-RXSFTSLZSA-N 1 0 313.511 2.231 10 30 DEEERO CCO[C@H]1C[C@@H](NC(=[NH2+])N2CCCCCC2)C12CCOCC2 ZINC000184644900 279911288 /nfs/dbraw/zinc/91/12/88/279911288.db2.gz CFRPBXANPMTZFM-CABCVRRESA-N 1 0 309.454 2.151 10 30 DEEERO C=CCCCc1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000273782614 337655797 /nfs/dbraw/zinc/65/57/97/337655797.db2.gz GUIMQQGKZJJTLT-UHFFFAOYSA-N 1 0 313.405 2.392 10 30 DEEERO C=CC(C)(C)CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527983474 337777445 /nfs/dbraw/zinc/77/74/45/337777445.db2.gz UUUOYWBWJJAHBY-UHFFFAOYSA-N 1 0 309.454 2.095 10 30 DEEERO C#CCN(C)CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400338796 340144006 /nfs/dbraw/zinc/14/40/06/340144006.db2.gz GDBVUDIOVIJVHU-HZPDHXFCSA-N 1 0 323.481 2.177 10 30 DEEERO C=CCCCCC[N@@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000131854205 341112709 /nfs/dbraw/zinc/11/27/09/341112709.db2.gz QSDBJUYEPGILDU-OAHLLOKOSA-N 1 0 302.484 2.336 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCc2ccc(Br)s2)CCO1 ZINC000262497569 533787242 /nfs/dbraw/zinc/78/72/42/533787242.db2.gz XBGJAVJEXCQGNX-QMMMGPOBSA-N 1 0 318.240 2.046 10 30 DEEERO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000192146683 533815715 /nfs/dbraw/zinc/81/57/15/533815715.db2.gz MDGXTPUSQBYAOJ-AWEZNQCLSA-N 1 0 314.410 2.036 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000246470520 521712060 /nfs/dbraw/zinc/71/20/60/521712060.db2.gz PXYZELVKIIQBNN-WMLDXEAASA-N 1 0 314.433 2.430 10 30 DEEERO C[NH+]=C(NCC(=O)N1CCCc2ccccc21)N[C@H](C)C(C)C ZINC000103907799 526346413 /nfs/dbraw/zinc/34/64/13/526346413.db2.gz GTIKKLHDGCFFKD-CQSZACIVSA-N 1 0 316.449 2.175 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418498287 526347859 /nfs/dbraw/zinc/34/78/59/526347859.db2.gz LSNALPCLFRSVOL-OAHLLOKOSA-N 1 0 318.377 2.030 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418360143 526348241 /nfs/dbraw/zinc/34/82/41/526348241.db2.gz FTQJPMZHCILHKK-CQSZACIVSA-N 1 0 318.377 2.044 10 30 DEEERO C[NH+]=C(NCc1ccoc1)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000261959676 526387677 /nfs/dbraw/zinc/38/76/77/526387677.db2.gz JTFXMXXNVYWEOJ-HNNXBMFYSA-N 1 0 315.421 2.280 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccncc2OC)CC1 ZINC000189887651 526438478 /nfs/dbraw/zinc/43/84/78/526438478.db2.gz AVIFPTBTEUXCBE-CYBMUJFWSA-N 1 0 318.421 2.101 10 30 DEEERO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2Cc2ccccc2OC)C1=O ZINC000337145940 526478506 /nfs/dbraw/zinc/47/85/06/526478506.db2.gz XUXYKYCVIQPHRD-DLBZAZTESA-N 1 0 314.429 2.489 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368620685 526525076 /nfs/dbraw/zinc/52/50/76/526525076.db2.gz CLDQKPQIFWUQIL-KRWDZBQOSA-N 1 0 301.434 2.371 10 30 DEEERO C=CCOCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000364747124 526775722 /nfs/dbraw/zinc/77/57/22/526775722.db2.gz YGCASDCYCFZZHG-KRWDZBQOSA-N 1 0 323.481 2.487 10 30 DEEERO C=CCOCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000378554847 526775927 /nfs/dbraw/zinc/77/59/27/526775927.db2.gz CDEBYKTXUJVHEZ-DLBZAZTESA-N 1 0 323.481 2.485 10 30 DEEERO C=CCOCCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376095446 526778053 /nfs/dbraw/zinc/77/80/53/526778053.db2.gz LNPWDKRKOPOAMG-KRWDZBQOSA-N 1 0 317.433 2.010 10 30 DEEERO C=CCOCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000373338406 526781209 /nfs/dbraw/zinc/78/12/09/526781209.db2.gz DONKXLAJHFPKHE-RDJZCZTQSA-N 1 0 317.433 2.009 10 30 DEEERO C=CCOc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000195322165 526839218 /nfs/dbraw/zinc/83/92/18/526839218.db2.gz ODWOHWOXONKRLM-HNNXBMFYSA-N 1 0 316.401 2.180 10 30 DEEERO C=CCC(C)(C)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000352511669 526988502 /nfs/dbraw/zinc/98/85/02/526988502.db2.gz LVKRACSBCFUHDC-UHFFFAOYSA-N 1 0 303.406 2.341 10 30 DEEERO C#CCOc1ccccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246875944 527125891 /nfs/dbraw/zinc/12/58/91/527125891.db2.gz SVRSJDCGSININC-WBVHZDCISA-N 1 0 303.427 2.405 10 30 DEEERO C#CCSCCNC(N[C@H]1CCOc2ccccc21)=[NH+]C ZINC000176864544 527135730 /nfs/dbraw/zinc/13/57/30/527135730.db2.gz QXBLMSLTGDCXEC-AWEZNQCLSA-N 1 0 303.431 2.042 10 30 DEEERO C=CC[C@H](CC)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000341388846 527148268 /nfs/dbraw/zinc/14/82/68/527148268.db2.gz WUUJLZHQGHFPAL-IRXDYDNUSA-N 1 0 322.497 2.153 10 30 DEEERO C=CCCC[C@H](C)[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000411170140 527274143 /nfs/dbraw/zinc/27/41/43/527274143.db2.gz TXFWLGLGZFQAIM-KRWDZBQOSA-N 1 0 307.482 2.361 10 30 DEEERO C=CCCC[C@H](C)NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417994882 527290031 /nfs/dbraw/zinc/29/00/31/527290031.db2.gz ZIHYPIZAOUKNGC-GTPINHCMSA-N 1 0 322.497 2.247 10 30 DEEERO C=CCCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248825230 527417973 /nfs/dbraw/zinc/41/79/73/527417973.db2.gz LUUYUONBVXLKJL-GDBMZVCRSA-N 1 0 308.447 2.002 10 30 DEEERO CC[NH+]=C(NCC1CCC1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261980243 528804209 /nfs/dbraw/zinc/80/42/09/528804209.db2.gz OSROJSMYNJFLRX-HNNXBMFYSA-N 1 0 302.422 2.300 10 30 DEEERO CC[NH+]=C(NCCN1CCSCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261828546 528806455 /nfs/dbraw/zinc/80/64/55/528806455.db2.gz VFKOTJPUQFHQBC-IYBDPMFKSA-N 1 0 324.538 2.123 10 30 DEEERO CC[NH+]=C(NCCc1ccco1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262682024 528808090 /nfs/dbraw/zinc/80/80/90/528808090.db2.gz SXMZHVMJJWRYRL-AWEZNQCLSA-N 1 0 315.421 2.011 10 30 DEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCS[C@@H](C(C)C)C1 ZINC000261810967 528809379 /nfs/dbraw/zinc/80/93/79/528809379.db2.gz SNWDVCGCAQJNSG-SOUVJXGZSA-N 1 0 313.511 2.186 10 30 DEEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CCOCC1 ZINC000132289924 528819650 /nfs/dbraw/zinc/81/96/50/528819650.db2.gz LDZQHVUPUNFJFI-XHSDSOJGSA-N 1 0 321.465 2.068 10 30 DEEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCC[C@@H]1C#N ZINC000262455506 528821771 /nfs/dbraw/zinc/82/17/71/528821771.db2.gz WSHVRVBPKQMVJI-XLWJZTARSA-N 1 0 304.438 2.047 10 30 DEEERO CC1=CC[N@H+](CCNC(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000358445935 535244578 /nfs/dbraw/zinc/24/45/78/535244578.db2.gz BOLYKOLIRVHMJA-UHFFFAOYSA-N 1 0 302.353 2.471 10 30 DEEERO CC[NH+]1CCC(CCNC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000359493221 535447012 /nfs/dbraw/zinc/44/70/12/535447012.db2.gz KNZDUPHNGHHFKF-UHFFFAOYSA-N 1 0 314.433 2.208 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000121435045 649977769 /nfs/dbraw/zinc/97/77/69/649977769.db2.gz WQORTXAOCLEANV-CYBMUJFWSA-N 1 0 304.346 2.485 10 30 DEEERO C[NH+]=C(NCc1noc(C)n1)N[C@H](C)c1ccc(C)c(F)c1 ZINC000157236958 624164475 /nfs/dbraw/zinc/16/44/75/624164475.db2.gz VDSATOFVHASGBB-SNVBAGLBSA-N 1 0 305.357 2.252 10 30 DEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCS[C@H](C(C)C)C1 ZINC000261810965 636542899 /nfs/dbraw/zinc/54/28/99/636542899.db2.gz SNWDVCGCAQJNSG-KKUMJFAQSA-N 1 0 313.511 2.186 10 30 DEEERO C=CC[NH+]1CCC(NC(=S)Nc2ccccc2C#N)CC1 ZINC000729943203 640861797 /nfs/dbraw/zinc/86/17/97/640861797.db2.gz RANJJLXUTNETCR-UHFFFAOYSA-N 1 0 300.431 2.495 10 30 DEEERO CC[NH+]1CCN(c2ccc(C(=O)OCCCC#N)cc2)CC1 ZINC000172628082 646745940 /nfs/dbraw/zinc/74/59/40/646745940.db2.gz JKCPUXDCCFICGA-UHFFFAOYSA-N 1 0 301.390 2.289 10 30 DEEERO C#CCNC(=O)c1ccc(NCC[NH+]2[C@H](C)CCC[C@H]2C)nc1 ZINC000732922798 647713408 /nfs/dbraw/zinc/71/34/08/647713408.db2.gz KNPVVGXZBUKKGD-HUUCEWRRSA-N 1 0 314.433 2.119 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NCCc1ccc2c(c1)CCO2 ZINC000304752369 685260182 /nfs/dbraw/zinc/26/01/82/685260182.db2.gz KEDVVKIYGQIVQE-UHFFFAOYSA-N 1 0 315.442 2.373 10 30 DEEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000037984455 683885571 /nfs/dbraw/zinc/88/55/71/683885571.db2.gz DFHOGPDPEMKZNQ-WDEREUQCSA-N 1 0 309.207 2.238 10 30 DEEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000037984453 683885769 /nfs/dbraw/zinc/88/57/69/683885769.db2.gz DFHOGPDPEMKZNQ-QWRGUYRKSA-N 1 0 309.207 2.238 10 30 DEEERO C#C[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249110008 685174886 /nfs/dbraw/zinc/17/48/86/685174886.db2.gz QPMNDDAZDIMRRS-NWANDNLSSA-N 1 0 324.346 2.435 10 30 DEEERO COc1cccc(NC(=[NH2+])NC[C@@H]2COc3ccccc3O2)c1 ZINC000303711422 685233219 /nfs/dbraw/zinc/23/32/19/685233219.db2.gz PKODZZUCQZYBRF-CQSZACIVSA-N 1 0 313.357 2.262 10 30 DEEERO CN(C)c1ccc(CNC(=[NH2+])NCCc2cccs2)cc1 ZINC000303791183 685235400 /nfs/dbraw/zinc/23/54/00/685235400.db2.gz XCZOITJXTIEOMN-UHFFFAOYSA-N 1 0 302.447 2.461 10 30 DEEERO CCN(CC)C(=[NH2+])NCc1ccc(Cn2ccccc2=O)cc1 ZINC000303871087 685236604 /nfs/dbraw/zinc/23/66/04/685236604.db2.gz FQSRKHZTTBXOJQ-UHFFFAOYSA-N 1 0 312.417 2.053 10 30 DEEERO COc1ccc(OC)c(NC(=[NH2+])NCc2cccc(OC)n2)c1 ZINC000303990088 685243048 /nfs/dbraw/zinc/24/30/48/685243048.db2.gz YELYJJMGJYIPGO-UHFFFAOYSA-N 1 0 316.361 2.034 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000745260703 784705622 /nfs/dbraw/zinc/70/56/22/784705622.db2.gz FSLVOYBUHDQBIK-KRWDZBQOSA-N 1 0 319.405 2.040 10 30 DEEERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746927404 786549408 /nfs/dbraw/zinc/54/94/08/786549408.db2.gz VKHKVTGVIILOET-HNNXBMFYSA-N 1 0 301.390 2.057 10 30 DEEERO C#CC[C@@H](COC)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000716841987 793009724 /nfs/dbraw/zinc/00/97/24/793009724.db2.gz YRSXQNPSRYGFKE-UONOGXRCSA-N 1 0 312.207 2.110 10 30 DEEERO CC#CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000717726502 799429194 /nfs/dbraw/zinc/42/91/94/799429194.db2.gz BVINBMXLJZCBJL-JONQDZQNSA-N 1 0 322.449 2.138 10 30 DEEERO CC#CC[C@H](CO)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000717741193 799430460 /nfs/dbraw/zinc/43/04/60/799430460.db2.gz VWKNQOUVRKORAX-KFWWJZLASA-N 1 0 322.449 2.186 10 30 DEEERO CC#CC[C@H](CO)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000717741188 799430494 /nfs/dbraw/zinc/43/04/94/799430494.db2.gz VWKNQOUVRKORAX-ILXRZTDVSA-N 1 0 322.449 2.186 10 30 DEEERO C#CCCCCNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000155900053 800865636 /nfs/dbraw/zinc/86/56/36/800865636.db2.gz PIXPCQFCTAMQBZ-UHFFFAOYSA-N 1 0 313.445 2.362 10 30 DEEERO C[NH+](C)CC[C@H]1CCN(c2ncc(Br)cc2C#N)C1 ZINC000701525180 1086367881 /nfs/dbraw/zinc/36/78/81/1086367881.db2.gz LUYCMTOCWCQVAB-NSHDSACASA-N 1 0 323.238 2.494 10 30 DEEERO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)CO1 ZINC000703346908 1086494208 /nfs/dbraw/zinc/49/42/08/1086494208.db2.gz SVVKWIWBQCDNJK-AWEZNQCLSA-N 1 0 303.362 2.199 10 30 DEEERO C#CC1(O)CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000708103551 1086676922 /nfs/dbraw/zinc/67/69/22/1086676922.db2.gz WXPBEQIZMIXKME-UHFFFAOYSA-N 1 0 324.218 2.288 10 30 DEEERO C=CC[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709290837 1086682182 /nfs/dbraw/zinc/68/21/82/1086682182.db2.gz YJCUVFQBVWHMIQ-AJNGGQMLSA-N 1 0 310.438 2.301 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000278342733 214102417 /nfs/dbraw/zinc/10/24/17/214102417.db2.gz KEHCXEAMIPHAND-LPHOPBHVSA-N 1 0 308.425 2.286 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000612597222 361869561 /nfs/dbraw/zinc/86/95/61/361869561.db2.gz CORAEKVMBWRYQS-QGZVFWFLSA-N 1 0 310.401 2.490 10 30 DEEERO C=CCN(C)S(=O)(=O)c1ccc(Cl)c(C[NH3+])c1Cl ZINC000166037077 197686639 /nfs/dbraw/zinc/68/66/39/197686639.db2.gz OCLJJRUAKGEZOY-UHFFFAOYSA-N 1 0 309.218 2.259 10 30 DEEERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1C#N ZINC000090540867 185301826 /nfs/dbraw/zinc/30/18/26/185301826.db2.gz SNTABWJGLLNOEH-GXTWGEPZSA-N 1 0 307.781 2.165 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@@H](O)COCc2cccc(OC)c2)C1 ZINC000625704569 365877029 /nfs/dbraw/zinc/87/70/29/365877029.db2.gz VBUVEMPOQUWVHG-DOTOQJQBSA-N 1 0 305.418 2.471 10 30 DEEERO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000616267652 362811771 /nfs/dbraw/zinc/81/17/71/362811771.db2.gz QWPMFTUFGVOUHG-INIZCTEOSA-N 1 0 321.396 2.297 10 30 DEEERO Cc1ccc(C(=O)N2CCS[C@@H](C)[C@@H]2C)c(C#CC[NH3+])c1 ZINC000133673077 186005442 /nfs/dbraw/zinc/00/54/42/186005442.db2.gz MZSFCJKNHOWNPS-KBPBESRZSA-N 1 0 302.443 2.271 10 30 DEEERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000159568457 186127878 /nfs/dbraw/zinc/12/78/78/186127878.db2.gz YAWUMEQJZDCZAA-HOCLYGCPSA-N 1 0 315.417 2.455 10 30 DEEERO CCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171891768 198001638 /nfs/dbraw/zinc/00/16/38/198001638.db2.gz SIGGBROPHSCORO-CQSZACIVSA-N 1 0 314.389 2.269 10 30 DEEERO C[NH+](C)C1(CNC(=O)N2CCc3cncnc3C2)CCCCC1 ZINC000329278497 539917108 /nfs/dbraw/zinc/91/71/08/539917108.db2.gz LGQSBIOYRXSBKG-UHFFFAOYSA-N 1 0 317.437 2.013 10 30 DEEERO Cn1cc([C@H]2OCCC[C@@H]2NC(=O)CC2CC[NH+](C)CC2)cn1 ZINC000330183898 539934880 /nfs/dbraw/zinc/93/48/80/539934880.db2.gz QIBAYJOVRHHAMK-DOTOQJQBSA-N 1 0 320.437 2.329 10 30 DEEERO N#C[C@@H]1CCC[C@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000332887709 539943261 /nfs/dbraw/zinc/94/32/61/539943261.db2.gz HFJQIXHEQHWAEX-HRCADAONSA-N 1 0 304.438 2.339 10 30 DEEERO C=C[C@](C)(CC)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617704043 363227389 /nfs/dbraw/zinc/22/73/89/363227389.db2.gz URBMMYYDEHULAN-IEBWSBKVSA-N 1 0 316.445 2.472 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCCCC[C@H]2CCO)CC1 ZINC000352822779 540065359 /nfs/dbraw/zinc/06/53/59/540065359.db2.gz ZJDAHWBIPRQDIW-KRWDZBQOSA-N 1 0 323.481 2.364 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000595602729 358497665 /nfs/dbraw/zinc/49/76/65/358497665.db2.gz KBJOQMUTDQEONJ-CVEARBPZSA-N 1 0 302.422 2.367 10 30 DEEERO C=CCOCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000618520637 363514313 /nfs/dbraw/zinc/51/43/13/363514313.db2.gz HPRGEBMIXNHNIA-QGZVFWFLSA-N 1 0 317.433 2.003 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592169854 357845633 /nfs/dbraw/zinc/84/56/33/357845633.db2.gz XBZWBWSXJCYWIR-TUVASFSCSA-N 1 0 312.479 2.074 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627121109 366449784 /nfs/dbraw/zinc/44/97/84/366449784.db2.gz PHRIUHQNRIQARC-MRXNPFEDSA-N 1 0 323.481 2.389 10 30 DEEERO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595845427 358563319 /nfs/dbraw/zinc/56/33/19/358563319.db2.gz NWGRUHJFFJDHCM-OKILXGFUSA-N 1 0 301.346 2.377 10 30 DEEERO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2ccc(C#N)nc2)C1 ZINC000596551325 358711555 /nfs/dbraw/zinc/71/15/55/358711555.db2.gz HWEATRLUCAVWQH-IBGZPJMESA-N 1 0 321.428 2.181 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599526441 359516733 /nfs/dbraw/zinc/51/67/33/359516733.db2.gz LLTHQKGEKSRVHU-ZDUSSCGKSA-N 1 0 303.362 2.456 10 30 DEEERO C=C(C)[C@@H](CO)[NH+]1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599555539 359524574 /nfs/dbraw/zinc/52/45/74/359524574.db2.gz OSOONKHLYDELOM-GFCCVEGCSA-N 1 0 310.419 2.046 10 30 DEEERO C=CCC[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599632206 359549013 /nfs/dbraw/zinc/54/90/13/359549013.db2.gz UTTZSLGKJRAREB-QGZVFWFLSA-N 1 0 300.402 2.481 10 30 DEEERO C=CCOc1cccc(C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)c1 ZINC000600189625 359683170 /nfs/dbraw/zinc/68/31/70/359683170.db2.gz LDLHTTGNQDOWBI-KRWDZBQOSA-N 1 0 305.374 2.015 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C[NH+](C)C)CC1 ZINC000602088166 360260177 /nfs/dbraw/zinc/26/01/77/360260177.db2.gz MTVCRGHLLLDVJW-UHFFFAOYSA-N 1 0 317.389 2.451 10 30 DEEERO C=C(C)COCC[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602571593 360438651 /nfs/dbraw/zinc/43/86/51/360438651.db2.gz WCJZMYMKXLRYJG-UHFFFAOYSA-N 1 0 309.410 2.058 10 30 DEEERO C=C(C)C[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000602735363 360527593 /nfs/dbraw/zinc/52/75/93/360527593.db2.gz VWUNJSNGUCBHNY-MRXNPFEDSA-N 1 0 303.406 2.148 10 30 DEEERO CC[C@H]1CN(c2cc(C#N)c3ccccc3n2)CC[N@@H+]1C[C@H](C)O ZINC000610276497 361378586 /nfs/dbraw/zinc/37/85/86/361378586.db2.gz ALEAOFZYPTUZON-HOCLYGCPSA-N 1 0 324.428 2.388 10 30 DEEERO C=CC(C)(C)CCNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000628314640 366806450 /nfs/dbraw/zinc/80/64/50/366806450.db2.gz HURUXJNXOPYJJZ-UHFFFAOYSA-N 1 0 305.422 2.354 10 30 DEEERO C=CCOCCCC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620916461 364199680 /nfs/dbraw/zinc/19/96/80/364199680.db2.gz WNGWHOJIYKLCEF-INIZCTEOSA-N 1 0 324.465 2.071 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H]2CC2(F)F)CC1 ZINC000621417470 364394936 /nfs/dbraw/zinc/39/49/36/364394936.db2.gz ZYQGUETZLCXXMW-LBPRGKRZSA-N 1 0 301.381 2.371 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000623631981 365108648 /nfs/dbraw/zinc/10/86/48/365108648.db2.gz DMHWYOUFRHZTKS-OAHLLOKOSA-N 1 0 309.454 2.095 10 30 DEEERO C=CCC[C@@H](CCC)[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000624080519 365280292 /nfs/dbraw/zinc/28/02/92/365280292.db2.gz SROLCCBJDMYHFF-AEFFLSMTSA-N 1 0 310.482 2.327 10 30 DEEERO C=C[C@@H](O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968682 367030370 /nfs/dbraw/zinc/03/03/70/367030370.db2.gz JBWSWKSAYNXKEL-CHWSQXEVSA-N 1 0 317.216 2.259 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@@H+]2Cc2ccccc2)C1=O ZINC000630988869 367953198 /nfs/dbraw/zinc/95/31/98/367953198.db2.gz WISUECCVEYXKHL-HOTGVXAUSA-N 1 0 313.401 2.148 10 30 DEEERO C=CCNC(=O)c1ccc(NC(=O)[C@@H](CCC)[NH+](C)C)cc1 ZINC000094032053 193339901 /nfs/dbraw/zinc/33/99/01/193339901.db2.gz KTUCSYXZTSIQKU-OAHLLOKOSA-N 1 0 303.406 2.271 10 30 DEEERO CC(C)(C)CS(=O)(=O)Nc1ccc(Cl)c(C#CC[NH3+])c1 ZINC000094671787 193391191 /nfs/dbraw/zinc/39/11/91/193391191.db2.gz YBQXIAMEYRNCCW-UHFFFAOYSA-N 1 0 314.838 2.438 10 30 DEEERO [NH3+]CC#Cc1cc(NC(=O)c2cncc(O)c2)ccc1Cl ZINC000094671683 193391277 /nfs/dbraw/zinc/39/12/77/193391277.db2.gz NKFFHZTXEACBMG-UHFFFAOYSA-N 1 0 301.733 2.003 10 30 DEEERO [NH3+]CC#Cc1ccc(O[C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000094408521 193367443 /nfs/dbraw/zinc/36/74/43/193367443.db2.gz DZLWFNUNJNZLIH-IRXDYDNUSA-N 1 0 303.427 2.430 10 30 DEEERO [NH3+]CC#Cc1ccccc1O[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000094408508 193367783 /nfs/dbraw/zinc/36/77/83/193367783.db2.gz OWRSELYKKXEDHH-WBVHZDCISA-N 1 0 303.427 2.430 10 30 DEEERO C#CCOc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000266363965 205295641 /nfs/dbraw/zinc/29/56/41/205295641.db2.gz QAWVTDZJQPDIJF-ALOPSCKCSA-N 1 0 312.413 2.444 10 30 DEEERO CC(C)NC(=O)CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104712823 194029805 /nfs/dbraw/zinc/02/98/05/194029805.db2.gz LCRNCUJPRXPVPX-UHFFFAOYSA-N 1 0 315.417 2.316 10 30 DEEERO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000066125992 184391064 /nfs/dbraw/zinc/39/10/64/184391064.db2.gz SWUATDXBGXXYCO-ZIAGYGMSSA-N 1 0 303.406 2.172 10 30 DEEERO C#CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000270197379 208263369 /nfs/dbraw/zinc/26/33/69/208263369.db2.gz DNNXAPGTVGAUSD-QZTJIDSGSA-N 1 0 309.413 2.407 10 30 DEEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccccc2)c1 ZINC000158812179 197303697 /nfs/dbraw/zinc/30/36/97/197303697.db2.gz GQUXNICUEVUSAR-UHFFFAOYSA-N 1 0 300.383 2.122 10 30 DEEERO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(C#N)cc1F ZINC000540976171 285149343 /nfs/dbraw/zinc/14/93/43/285149343.db2.gz JGMHMGCUAMATMA-NSHDSACASA-N 1 0 310.394 2.173 10 30 DEEERO CC[C@@H]1CN(C(=O)c2cc(C)cc(C#CC[NH3+])c2)CCS1 ZINC000157983159 197233246 /nfs/dbraw/zinc/23/32/46/197233246.db2.gz VXBBMZJUJSVZII-MRXNPFEDSA-N 1 0 302.443 2.273 10 30 DEEERO CC[C@@H]1CN(C(=O)c2cc(F)ccc2C#CC[NH3+])CCS1 ZINC000157980161 197232137 /nfs/dbraw/zinc/23/21/37/197232137.db2.gz BJRSUNLASAAPCG-CQSZACIVSA-N 1 0 306.406 2.104 10 30 DEEERO [NH3+]CC#Cc1ccc(F)c(C(=O)NC[C@@H]2CCCCS2)c1 ZINC000156568009 197123522 /nfs/dbraw/zinc/12/35/22/197123522.db2.gz VNYANNPSNYFJAQ-ZDUSSCGKSA-N 1 0 306.406 2.151 10 30 DEEERO C[C@@H](NCC1([NH+](C)C)CCOCC1)c1ccc(C#N)cc1F ZINC000358568458 147157598 /nfs/dbraw/zinc/15/75/98/147157598.db2.gz LCGXKWCVJAHMAO-CYBMUJFWSA-N 1 0 305.397 2.459 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000073882607 401724216 /nfs/dbraw/zinc/72/42/16/401724216.db2.gz LSORFAFVGRVHCF-QWRGUYRKSA-N 1 0 309.797 2.391 10 30 DEEERO C[NH+](C)C[C@H](NC(=O)COc1ccccc1C#N)c1ccccc1 ZINC000007816885 401744725 /nfs/dbraw/zinc/74/47/25/401744725.db2.gz JIWHZGHMHAABKG-KRWDZBQOSA-N 1 0 323.396 2.356 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1(C)COC1)C(C)C ZINC000112743738 401757363 /nfs/dbraw/zinc/75/73/63/401757363.db2.gz FPXOIZCGJINXBM-HNNXBMFYSA-N 1 0 309.454 2.021 10 30 DEEERO C#CCCCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000133397149 401884937 /nfs/dbraw/zinc/88/49/37/401884937.db2.gz MHBQNIRFZCHNRM-UHFFFAOYSA-N 1 0 305.397 2.490 10 30 DEEERO C=CC[N@@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000121286281 402026024 /nfs/dbraw/zinc/02/60/24/402026024.db2.gz DELXGKPMHRMJHT-GFCCVEGCSA-N 1 0 300.196 2.307 10 30 DEEERO Cc1cc(C#N)ccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000120859833 402004647 /nfs/dbraw/zinc/00/46/47/402004647.db2.gz SHOVOYXURWOROV-MRXNPFEDSA-N 1 0 315.417 2.050 10 30 DEEERO Cc1csc(C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)n1 ZINC000092795442 402009079 /nfs/dbraw/zinc/00/90/79/402009079.db2.gz ZUYQICVRLMRSJW-UHFFFAOYSA-N 1 0 320.462 2.393 10 30 DEEERO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000123072813 402108897 /nfs/dbraw/zinc/10/88/97/402108897.db2.gz OCVJIKUCCQTMCR-RHSMWYFYSA-N 1 0 314.433 2.301 10 30 DEEERO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC000123444803 402128226 /nfs/dbraw/zinc/12/82/26/402128226.db2.gz ADFWTGSEFLOFFS-GOEBONIOSA-N 1 0 315.417 2.073 10 30 DEEERO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]21 ZINC000153182314 402131434 /nfs/dbraw/zinc/13/14/34/402131434.db2.gz DDGBRGHAZBRTQY-UONOGXRCSA-N 1 0 311.307 2.096 10 30 DEEERO C=CCC[C@H](CN1CCC[N@@H+](C)CC1)Oc1ncc(Cl)cn1 ZINC000067559208 402162448 /nfs/dbraw/zinc/16/24/48/402162448.db2.gz ISNVEQXZQCSTDR-OAHLLOKOSA-N 1 0 324.856 2.481 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H](CO)CC(C)C ZINC000185323880 402343184 /nfs/dbraw/zinc/34/31/84/402343184.db2.gz KTUVLTZMHOTTEE-HNNXBMFYSA-N 1 0 306.406 2.284 10 30 DEEERO CCN(CC(=O)NCc1ccc(F)cc1)Cc1ccc(C#N)o1 ZINC000160232940 402338601 /nfs/dbraw/zinc/33/86/01/402338601.db2.gz VZRKCCWNFFLTKP-UHFFFAOYSA-N 1 0 315.348 2.429 10 30 DEEERO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000177500933 402409409 /nfs/dbraw/zinc/40/94/09/402409409.db2.gz AAHKMEMUNHLXGU-UHFFFAOYSA-N 1 0 323.400 2.281 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000186684597 402455384 /nfs/dbraw/zinc/45/53/84/402455384.db2.gz NYXZWUCQJCUPBL-FVRSWCFKSA-N 1 0 300.402 2.346 10 30 DEEERO Cc1oc(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)c(C#N)c1C ZINC000187943052 402513427 /nfs/dbraw/zinc/51/34/27/402513427.db2.gz DYVYNCFBCVAABG-APPDUMDISA-N 1 0 319.405 2.190 10 30 DEEERO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000178677007 402525364 /nfs/dbraw/zinc/52/53/64/402525364.db2.gz BSZZKCJPPVKWMH-IUODEOHRSA-N 1 0 318.377 2.396 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246385872 402528798 /nfs/dbraw/zinc/52/87/98/402528798.db2.gz JKZNSGKPAZMFIX-VNHYZAJKSA-N 1 0 313.401 2.067 10 30 DEEERO C=CCC[C@H](O)C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248659566 402602318 /nfs/dbraw/zinc/60/23/18/402602318.db2.gz VJPSATOPQMCSNT-ROUUACIJSA-N 1 0 303.450 2.162 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](c3nccs3)C2)CC1 ZINC000171640717 402605221 /nfs/dbraw/zinc/60/52/21/402605221.db2.gz RNDKFYFMLLOOFO-OAHLLOKOSA-N 1 0 317.458 2.194 10 30 DEEERO CCN(C[C@@H](C)C#N)C(=O)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000190982872 402634435 /nfs/dbraw/zinc/63/44/35/402634435.db2.gz AMTSHEZFDGWLJD-HNNXBMFYSA-N 1 0 321.465 2.418 10 30 DEEERO CO[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[C@H]1C ZINC000251917405 402651673 /nfs/dbraw/zinc/65/16/73/402651673.db2.gz SDFZATZMVOPDJU-KBRIMQKVSA-N 1 0 313.401 2.020 10 30 DEEERO Cc1ccc(N2CCC[N@H+](CC#Cc3ccccc3)CC2)nn1 ZINC000191998213 402703511 /nfs/dbraw/zinc/70/35/11/402703511.db2.gz UUYMSSUWEDIRFY-UHFFFAOYSA-N 1 0 306.413 2.349 10 30 DEEERO N#Cc1c(Br)cccc1N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261587364 402713576 /nfs/dbraw/zinc/71/35/76/402713576.db2.gz UZAPBRBOHVLPST-UFGOTCBOSA-N 1 0 306.207 2.494 10 30 DEEERO N#Cc1c(Br)cccc1N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261587363 402713802 /nfs/dbraw/zinc/71/38/02/402713802.db2.gz UZAPBRBOHVLPST-NDMJEZRESA-N 1 0 306.207 2.494 10 30 DEEERO C=C(C)CN(CC)C(=O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173937377 402720124 /nfs/dbraw/zinc/72/01/24/402720124.db2.gz VPYAUHAWPPUXAQ-SJORKVTESA-N 1 0 307.482 2.358 10 30 DEEERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@@H]1CCCO1 ZINC000183115648 402740162 /nfs/dbraw/zinc/74/01/62/402740162.db2.gz SAHFASKIYADLGT-PLQZLIEUSA-N 1 0 321.465 2.463 10 30 DEEERO N#Cc1ccc(C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)s1 ZINC000184251720 402830804 /nfs/dbraw/zinc/83/08/04/402830804.db2.gz VHXNTZWBTGTAEA-HNNXBMFYSA-N 1 0 312.398 2.300 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cc(OC)ccc1Br ZINC000184271153 402831951 /nfs/dbraw/zinc/83/19/51/402831951.db2.gz SJEMGPHCVUOOTD-LLVKDONJSA-N 1 0 300.196 2.484 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000273483695 403008504 /nfs/dbraw/zinc/00/85/04/403008504.db2.gz LSWAQAHCKDOINA-GFCCVEGCSA-N 1 0 324.222 2.432 10 30 DEEERO C=CCn1nnnc1S[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282865034 403163021 /nfs/dbraw/zinc/16/30/21/403163021.db2.gz BSEIQVVNDOQLHF-AWEZNQCLSA-N 1 0 301.419 2.226 10 30 DEEERO C=CCn1c(=O)[nH]nc1S[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282981390 403164242 /nfs/dbraw/zinc/16/42/42/403164242.db2.gz JPRMAVQOZPDMOH-AWEZNQCLSA-N 1 0 316.430 2.124 10 30 DEEERO C=C(C)CS(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276570865 403187403 /nfs/dbraw/zinc/18/74/03/403187403.db2.gz NAPOMOHCRYHZOR-INIZCTEOSA-N 1 0 308.447 2.099 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](CC)CC1 ZINC000286773702 403545157 /nfs/dbraw/zinc/54/51/57/403545157.db2.gz SYMZNWPELARWTK-SFHVURJKSA-N 1 0 313.445 2.405 10 30 DEEERO Cn1cc([C@H](CNc2c(F)cc(C#N)cc2F)[NH+](C)C)cn1 ZINC000301298166 403612246 /nfs/dbraw/zinc/61/22/46/403612246.db2.gz STIBDRSURUFVLG-AWEZNQCLSA-N 1 0 305.332 2.285 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cc1 ZINC000362104236 403926660 /nfs/dbraw/zinc/92/66/60/403926660.db2.gz BHYFJXKQLGJDKS-SFHVURJKSA-N 1 0 321.417 2.434 10 30 DEEERO C=CCCC[C@@H](C)[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411688906 403938995 /nfs/dbraw/zinc/93/89/95/403938995.db2.gz DJLZHUARPOJJHB-CQSZACIVSA-N 1 0 300.468 2.231 10 30 DEEERO C[NH+](C)[C@H]1CCCN(c2ncc(Br)cc2C#N)C1 ZINC000295471386 403944216 /nfs/dbraw/zinc/94/42/16/403944216.db2.gz IRADOBUPKIRKSP-LBPRGKRZSA-N 1 0 309.211 2.246 10 30 DEEERO C=CCOCCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000348051755 404022827 /nfs/dbraw/zinc/02/28/27/404022827.db2.gz MYKMRHAMZZCPLX-LBPRGKRZSA-N 1 0 315.410 2.473 10 30 DEEERO C=CCOCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000354814809 404031992 /nfs/dbraw/zinc/03/19/92/404031992.db2.gz QPQAGIKIXVRFAL-QGZVFWFLSA-N 1 0 302.418 2.360 10 30 DEEERO C=C(C)CC[NH+]1CCN(c2ncc(C(=O)OCC)s2)CC1 ZINC000352012072 404076236 /nfs/dbraw/zinc/07/62/36/404076236.db2.gz DLYOSPHRMOOYTI-UHFFFAOYSA-N 1 0 309.435 2.408 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1C ZINC000290140768 404057002 /nfs/dbraw/zinc/05/70/02/404057002.db2.gz GBHBDAGTJOPISR-XJKSGUPXSA-N 1 0 322.416 2.027 10 30 DEEERO Cc1cnc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000328632115 404119143 /nfs/dbraw/zinc/11/91/43/404119143.db2.gz RPCIDHQHCALMCU-HOCLYGCPSA-N 1 0 311.389 2.178 10 30 DEEERO CC#CCCNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000349320951 404149869 /nfs/dbraw/zinc/14/98/69/404149869.db2.gz WMCQMMAYZPPZFV-UHFFFAOYSA-N 1 0 314.433 2.363 10 30 DEEERO O=C(C[C@@H]1CCOC1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000328845324 404160814 /nfs/dbraw/zinc/16/08/14/404160814.db2.gz ROFSLVNQDRJPQA-ULQDDVLXSA-N 1 0 318.417 2.005 10 30 DEEERO C=CC[C@@H](CO)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412315878 404243594 /nfs/dbraw/zinc/24/35/94/404243594.db2.gz LWNHXMSGBIOXCH-KRWDZBQOSA-N 1 0 302.418 2.339 10 30 DEEERO C[C@H](CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)NC(=O)C1CCCC1 ZINC000329466162 404345827 /nfs/dbraw/zinc/34/58/27/404345827.db2.gz VWIWIWNGLNBKDY-IJEWVQPXSA-N 1 0 321.465 2.464 10 30 DEEERO C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@@H](c2ccccc2)C1 ZINC000329514454 404362107 /nfs/dbraw/zinc/36/21/07/404362107.db2.gz CVXXTBJEROWRKE-BARDWOONSA-N 1 0 317.389 2.124 10 30 DEEERO C[C@H]1C[C@@H](C(=O)N[C@H]2CN(c3ccccc3)C2=O)CC[N@@H+]1C ZINC000329601964 404389774 /nfs/dbraw/zinc/38/97/74/404389774.db2.gz XUPQXXLVKUMMGG-YDHLFZDLSA-N 1 0 301.390 2.089 10 30 DEEERO C=CCn1c(C2CCC2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000350742495 404458827 /nfs/dbraw/zinc/45/88/27/404458827.db2.gz XDIZUOQMJDOQKO-HIFRSBDPSA-N 1 0 301.438 2.405 10 30 DEEERO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCn2ccnc2C1 ZINC000330047371 404538282 /nfs/dbraw/zinc/53/82/82/404538282.db2.gz HQBHQFLVSZAJFX-WLYUNCDWSA-N 1 0 302.422 2.419 10 30 DEEERO CCC[C@@H]1C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330172264 404573317 /nfs/dbraw/zinc/57/33/17/404573317.db2.gz GGVFJNVDUXXXPS-SLBVQIDZSA-N 1 0 309.454 2.056 10 30 DEEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@H]2CCC[N@@H+]2CC)cn1 ZINC000330308007 404621779 /nfs/dbraw/zinc/62/17/79/404621779.db2.gz SNJYRKDXEFKWMO-OWCLPIDISA-N 1 0 320.437 2.421 10 30 DEEERO C=C(C)[C@@H]([NH2+]CCCS(=O)(=O)NC)c1ccc(F)c(F)c1 ZINC000360622598 404832589 /nfs/dbraw/zinc/83/25/89/404832589.db2.gz XZZLSLGZUVEORH-CQSZACIVSA-N 1 0 318.389 2.111 10 30 DEEERO C=CCOc1ccccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000434796828 404936461 /nfs/dbraw/zinc/93/64/61/404936461.db2.gz VZPKKKJRJNPKEP-UHFFFAOYSA-N 1 0 302.418 2.206 10 30 DEEERO C#Cc1ccc(C[N@H+]2C[C@H](OC)C[C@@H]2CC(=O)OCC)cc1 ZINC000367297872 405001681 /nfs/dbraw/zinc/00/16/81/405001681.db2.gz AKDLACZAKJGLQV-IAGOWNOFSA-N 1 0 301.386 2.210 10 30 DEEERO C=C(C)C(C)(C)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000424807689 405184267 /nfs/dbraw/zinc/18/42/67/405184267.db2.gz FTGFYXAEUQNZBZ-UHFFFAOYSA-N 1 0 303.406 2.341 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000425847916 405323957 /nfs/dbraw/zinc/32/39/57/405323957.db2.gz DGOJWRAWNWQFKF-IRXDYDNUSA-N 1 0 323.481 2.341 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C)CC1 ZINC000446138718 405374446 /nfs/dbraw/zinc/37/44/46/405374446.db2.gz PEGZBUAYOGROGN-KKUMJFAQSA-N 1 0 309.454 2.234 10 30 DEEERO C=CC(C)(C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000448715880 405440881 /nfs/dbraw/zinc/44/08/81/405440881.db2.gz HKKMJPSJCHLLEJ-UHFFFAOYSA-N 1 0 316.449 2.052 10 30 DEEERO C[C@@H](CNC(=O)c1ccc(C#N)n1C)[N@H+](C)Cc1ccccc1 ZINC000448953096 405470662 /nfs/dbraw/zinc/47/06/62/405470662.db2.gz GWPUCSYSPAYXLC-AWEZNQCLSA-N 1 0 310.401 2.147 10 30 DEEERO C=CCOc1ccc(C[N@H+]2CC[C@H](C(=O)NC)C2)cc1Cl ZINC000421393730 405488127 /nfs/dbraw/zinc/48/81/27/405488127.db2.gz WLOFCAVPYLPLHL-ZDUSSCGKSA-N 1 0 308.809 2.473 10 30 DEEERO C=CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000636168875 405788563 /nfs/dbraw/zinc/78/85/63/405788563.db2.gz DOWDUHUAZOIMJJ-IEBWSBKVSA-N 1 0 314.429 2.217 10 30 DEEERO C=CC[C@@]1(C(=O)N[C@H](C)c2ccc3[nH]c(=O)oc3c2)CCC[NH2+]1 ZINC000638992385 405805053 /nfs/dbraw/zinc/80/50/53/405805053.db2.gz ATDZMMQOWLOCQR-DIFFPNOSSA-N 1 0 315.373 2.409 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2nnc([C@@H]3CCCO3)s2)CCC[NH2+]1 ZINC000639022182 405825494 /nfs/dbraw/zinc/82/54/94/405825494.db2.gz YSJQSWYWZJJCDH-HZMBPMFUSA-N 1 0 308.407 2.026 10 30 DEEERO C=C1CC(C)(C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1 ZINC000632179876 406035653 /nfs/dbraw/zinc/03/56/53/406035653.db2.gz HTKOWIPJYXFEKO-UHFFFAOYSA-N 1 0 319.493 2.360 10 30 DEEERO C=CCCCCC[NH2+]Cc1c(C)nn(C)c1N1CCOCC1 ZINC000563418427 406060041 /nfs/dbraw/zinc/06/00/41/406060041.db2.gz PEHNDXMQVHATON-UHFFFAOYSA-N 1 0 306.454 2.401 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000636975806 406138190 /nfs/dbraw/zinc/13/81/90/406138190.db2.gz JKRHRYJUTKKANQ-UHFFFAOYSA-N 1 0 323.481 2.084 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000636988567 406142865 /nfs/dbraw/zinc/14/28/65/406142865.db2.gz WOLZAULJRKVDRY-UHFFFAOYSA-N 1 0 324.513 2.304 10 30 DEEERO C#C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000491623489 406637138 /nfs/dbraw/zinc/63/71/38/406637138.db2.gz GBRCKRRPJFBDFH-GJZGRUSLSA-N 1 0 305.809 2.408 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1coc(CO)c1)C(C)C ZINC000635559740 406590447 /nfs/dbraw/zinc/59/04/47/406590447.db2.gz IDERHPJFXXDIIP-INIZCTEOSA-N 1 0 306.406 2.200 10 30 DEEERO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@H](C)N1CCOCC1 ZINC000358561430 287050905 /nfs/dbraw/zinc/05/09/05/287050905.db2.gz SEVGAKXKRTUERM-RDBSUJKOSA-N 1 0 305.397 2.457 10 30 DEEERO C[C@H]1CSCCN1C(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129164375 196024805 /nfs/dbraw/zinc/02/48/05/196024805.db2.gz SAPVTJQLRZEARO-NSHDSACASA-N 1 0 308.834 2.228 10 30 DEEERO C=CCNc1ncc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000129214250 196029125 /nfs/dbraw/zinc/02/91/25/196029125.db2.gz VMGKYCHMFHUQAG-NWDGAFQWSA-N 1 0 308.451 2.296 10 30 DEEERO Cc1cccc(C(=O)NCc2ccc(C#CC[NH3+])s2)c1F ZINC000132105207 196226545 /nfs/dbraw/zinc/22/65/45/196226545.db2.gz PLYFEEBKNOURTM-UHFFFAOYSA-N 1 0 302.374 2.436 10 30 DEEERO C[NH2+][C@H]1CCCN(c2ccc(Br)cc2C#N)C1=O ZINC000133031145 196306087 /nfs/dbraw/zinc/30/60/87/196306087.db2.gz JLSNUTQCNDQIDY-NSHDSACASA-N 1 0 308.179 2.036 10 30 DEEERO C[C@@H]1C[NH2+]C[C@H](COc2ccc(C#N)cc2Br)O1 ZINC000133509588 196331248 /nfs/dbraw/zinc/33/12/48/196331248.db2.gz PPVJNJNYBADJPP-MWLCHTKSSA-N 1 0 311.179 2.076 10 30 DEEERO COCc1ccccc1NC(=[NH2+])NCc1cn2c(n1)CCCC2 ZINC000262357422 225268410 /nfs/dbraw/zinc/26/84/10/225268410.db2.gz GDTZBSZBHWQBQV-UHFFFAOYSA-N 1 0 313.405 2.293 10 30 DEEERO Cc1nc(CN2CCC(C[NH+]=C(N(C)C)N(C)C)CC2)cs1 ZINC000262518405 225275346 /nfs/dbraw/zinc/27/53/46/225275346.db2.gz HLKSJYPTYWTPEE-UHFFFAOYSA-N 1 0 323.510 2.143 10 30 DEEERO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000262789286 225285276 /nfs/dbraw/zinc/28/52/76/225285276.db2.gz NPMZMOVMCKKEHF-XJKSGUPXSA-N 1 0 319.453 2.218 10 30 DEEERO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC12CCC(CC1)C2 ZINC000296810650 226237598 /nfs/dbraw/zinc/23/75/98/226237598.db2.gz QDFGYQLYAPWHKQ-SYJJWHGVSA-N 1 0 311.433 2.439 10 30 DEEERO O=C(NC1CC([NH+]2CCCCC2)C1)c1csc(NC2CC2)n1 ZINC000330047787 424907849 /nfs/dbraw/zinc/90/78/49/424907849.db2.gz HYDAJOJMVKOYQK-UHFFFAOYSA-N 1 0 320.462 3.039 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)C1=O ZINC000337216280 275429381 /nfs/dbraw/zinc/42/93/81/275429381.db2.gz ZEDGZKJAXFOZIC-LGWLGOQQSA-N 1 0 300.402 2.316 10 30 DEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000156142709 276096296 /nfs/dbraw/zinc/09/62/96/276096296.db2.gz FALFHLKEOFKVMY-BHYGNILZSA-N 1 0 323.481 2.410 10 30 DEEERO Cc1nc(C[NH+]=C(N(C)C)N(C)C)sc1Br ZINC000263172507 281901495 /nfs/dbraw/zinc/90/14/95/281901495.db2.gz SFAVJVVWRJSZER-UHFFFAOYSA-N 1 0 305.245 2.193 10 30 DEEERO C#CCC(C)(C)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000185419140 337205286 /nfs/dbraw/zinc/20/52/86/337205286.db2.gz HXKXZRILIUKUNN-HZPDHXFCSA-N 1 0 320.477 2.384 10 30 DEEERO N#CC1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000057872366 337458027 /nfs/dbraw/zinc/45/80/27/337458027.db2.gz OGJVQYJXYTWVQQ-MRXNPFEDSA-N 1 0 308.809 2.453 10 30 DEEERO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529354855 340753321 /nfs/dbraw/zinc/75/33/21/340753321.db2.gz KHYJFPSRIBWYEM-OAHLLOKOSA-N 1 0 303.406 2.304 10 30 DEEERO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000245459282 341295474 /nfs/dbraw/zinc/29/54/74/341295474.db2.gz VGARGAQINVXVRD-NVXWUHKLSA-N 1 0 321.465 2.418 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000576578383 341853236 /nfs/dbraw/zinc/85/32/36/341853236.db2.gz PVYINNVIZKNVSW-RYRKJORJSA-N 1 0 305.418 2.306 10 30 DEEERO C[C@@H]1CCC[C@@H](NC(NCC(=O)N(C)C)=[NH+]C2CCCC2)C1 ZINC000262253787 533761988 /nfs/dbraw/zinc/76/19/88/533761988.db2.gz CKEBAGHLMOWIEM-UKRRQHHQSA-N 1 0 308.470 2.131 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NC[C@@H]2SCCc3ccccc32)CCO1 ZINC000262458378 533787036 /nfs/dbraw/zinc/78/70/36/533787036.db2.gz LSWCYDYJHNJXPM-WFASDCNBSA-N 1 0 305.447 2.052 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCc2cc(Br)cs2)CCO1 ZINC000262432803 533787414 /nfs/dbraw/zinc/78/74/14/533787414.db2.gz FMRMZYYFEKMUPH-QMMMGPOBSA-N 1 0 318.240 2.046 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1sccc1C#N ZINC000109015061 517656776 /nfs/dbraw/zinc/65/67/76/517656776.db2.gz SLICTLWDZOPJEO-AWEZNQCLSA-N 1 0 320.462 2.364 10 30 DEEERO C#CCOC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)[C@@H](C)CC ZINC000036098391 518306659 /nfs/dbraw/zinc/30/66/59/518306659.db2.gz LXKXABYXWRFLLG-RDJZCZTQSA-N 1 0 305.418 2.306 10 30 DEEERO CC(C)[N@H+]1C[C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)[C@@H](C)C1 ZINC000247316452 519697126 /nfs/dbraw/zinc/69/71/26/519697126.db2.gz MGEYGVROALOQHY-DZKIICNBSA-N 1 0 315.417 2.170 10 30 DEEERO [NH2+]=C(NC[C@@H](O)c1cc2ccccc2s1)NC[C@H]1CCCO1 ZINC000262397756 534833423 /nfs/dbraw/zinc/83/34/23/534833423.db2.gz NFCOLAUKNDKWBN-CHWSQXEVSA-N 1 0 319.430 2.018 10 30 DEEERO C[NH+]=C(NCc1nc(-c2cccc(Cl)c2)no1)N[C@@H]1C[C@H]1C ZINC000262559169 526389182 /nfs/dbraw/zinc/38/91/82/526389182.db2.gz VUUCTVRAEYPUOF-BXKDBHETSA-N 1 0 319.796 2.463 10 30 DEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000261724072 526393543 /nfs/dbraw/zinc/39/35/43/526393543.db2.gz LAKDQNURWNJLPZ-JKSUJKDBSA-N 1 0 323.481 2.410 10 30 DEEERO C[NH+]=C(NCc1sc(C)nc1C)NCc1cccc(OC)n1 ZINC000262376429 526415752 /nfs/dbraw/zinc/41/57/52/526415752.db2.gz JPQIRRXNLDIIMJ-UHFFFAOYSA-N 1 0 319.434 2.029 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195508024 526541668 /nfs/dbraw/zinc/54/16/68/526541668.db2.gz DJBXQNXHWRVWKY-AWEZNQCLSA-N 1 0 304.438 2.402 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000444709902 526599565 /nfs/dbraw/zinc/59/95/65/526599565.db2.gz UNMWKUJVHBOTNU-CQSZACIVSA-N 1 0 303.406 2.136 10 30 DEEERO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000262275873 526619000 /nfs/dbraw/zinc/61/90/00/526619000.db2.gz JMPBRLMPZJEAIK-STQMWFEESA-N 1 0 316.405 2.450 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248601067 526711895 /nfs/dbraw/zinc/71/18/95/526711895.db2.gz AGOPHDHIVUBKHR-MAUKXSAKSA-N 1 0 316.445 2.472 10 30 DEEERO C=CCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000378600002 526779535 /nfs/dbraw/zinc/77/95/35/526779535.db2.gz XXCRLPGHKGKDNO-HZPDHXFCSA-N 1 0 321.396 2.073 10 30 DEEERO C=CCOc1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000418163758 526882211 /nfs/dbraw/zinc/88/22/11/526882211.db2.gz HSDGRKJZUGAXBN-CJNGLKHVSA-N 1 0 303.406 2.049 10 30 DEEERO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000341877650 527082947 /nfs/dbraw/zinc/08/29/47/527082947.db2.gz MCCNGNQZZVVYEE-TZMCWYRMSA-N 1 0 306.406 2.489 10 30 DEEERO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415194135 527447214 /nfs/dbraw/zinc/44/72/14/527447214.db2.gz YFYUMVVOTZCTFT-OAHLLOKOSA-N 1 0 315.417 2.302 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000448598656 527487469 /nfs/dbraw/zinc/48/74/69/527487469.db2.gz QKQNEAXQGVSSHU-MSOLQXFVSA-N 1 0 314.429 2.490 10 30 DEEERO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N(CC)CCC#N)C12CCCC2 ZINC000246909558 527901925 /nfs/dbraw/zinc/90/19/25/527901925.db2.gz HROPSMGUADBUQZ-JKSUJKDBSA-N 1 0 321.465 2.418 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=[NH+]C)N(C)Cc2ccc[nH]2)C12CCC2 ZINC000262374275 527905355 /nfs/dbraw/zinc/90/53/55/527905355.db2.gz JCZPHADPPDMYPI-LSDHHAIUSA-N 1 0 304.438 2.370 10 30 DEEERO CC[N@@H+]1C[C@@H](C)N(C(=O)NCC2CCC(C#N)CC2)C[C@@H]1C ZINC000441000870 527924968 /nfs/dbraw/zinc/92/49/68/527924968.db2.gz RBMNGNRMDDBIGQ-QRNKSROTSA-N 1 0 306.454 2.440 10 30 DEEERO CC[N@H+](CCO)CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000302207729 528551654 /nfs/dbraw/zinc/55/16/54/528551654.db2.gz AORONSNANGZXDX-UHFFFAOYSA-N 1 0 318.808 2.486 10 30 DEEERO CC[NH+]=C(NC1CCC1)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000261698509 528802809 /nfs/dbraw/zinc/80/28/09/528802809.db2.gz DRDAWZPSVIZVFT-LLVKDONJSA-N 1 0 306.376 2.073 10 30 DEEERO CC[NH+]=C(N[C@H]1CC1(C)C)N[C@@H]1CCC[C@H]([S@](=O)CC)C1 ZINC000261613048 528821617 /nfs/dbraw/zinc/82/16/17/528821617.db2.gz AJNNDGXXTWOVLQ-PBMXDMTDSA-N 1 0 313.511 2.420 10 30 DEEERO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000247751473 535508309 /nfs/dbraw/zinc/50/83/09/535508309.db2.gz ZHXDZLYULVTCHZ-HOCLYGCPSA-N 1 0 315.417 2.316 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246817328 536883129 /nfs/dbraw/zinc/88/31/29/536883129.db2.gz SCFRIKQVGOMDAT-HOTGVXAUSA-N 1 0 316.401 2.447 10 30 DEEERO C#CCOc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000291379273 624751773 /nfs/dbraw/zinc/75/17/73/624751773.db2.gz UUPLVIZXNVPHKU-GJZGRUSLSA-N 1 0 300.402 2.045 10 30 DEEERO CCN(CC)c1ccc(/C=[NH+]\CCCN2CCOC2=O)c(O)c1 ZINC000255913497 625204735 /nfs/dbraw/zinc/20/47/35/625204735.db2.gz WOKMOSXTYAYEFC-AQTBWJFISA-N 1 0 319.405 2.500 10 30 DEEERO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746742153 638374645 /nfs/dbraw/zinc/37/46/45/638374645.db2.gz POMQUXAVFSAZHK-CYBMUJFWSA-N 1 0 318.421 2.096 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000195523118 643972085 /nfs/dbraw/zinc/97/20/85/643972085.db2.gz FNKMPQUGUQBGGW-IKGGRYGDSA-N 1 0 317.433 2.238 10 30 DEEERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181674783 648723610 /nfs/dbraw/zinc/72/36/10/648723610.db2.gz RUPVWVHUBZFXAZ-NVXWUHKLSA-N 1 0 317.433 2.350 10 30 DEEERO C[NH+]=C(NCCc1ccc2ccccc2n1)NC[C@@H]1CCCO1 ZINC000072735340 649501198 /nfs/dbraw/zinc/50/11/98/649501198.db2.gz XHJJCPMDRAEDNI-INIZCTEOSA-N 1 0 312.417 2.121 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc(C(C)C)n(C)n1 ZINC000121396464 649530199 /nfs/dbraw/zinc/53/01/99/649530199.db2.gz QGNLGHJFWOYXCN-AWEZNQCLSA-N 1 0 305.422 2.434 10 30 DEEERO CCOCCCNC(=[NH2+])NCCc1c[nH]c2ccc(F)cc12 ZINC000304761880 685260771 /nfs/dbraw/zinc/26/07/71/685260771.db2.gz VBERIXLGKPUVEK-UHFFFAOYSA-N 1 0 306.385 2.180 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1sc(COC)nc1C ZINC000134030505 684225148 /nfs/dbraw/zinc/22/51/48/684225148.db2.gz PKERXCXDVORSIY-LBPRGKRZSA-N 1 0 324.446 2.488 10 30 DEEERO CC[NH+]=C(NCCCNC(=O)c1ccccc1)NC(C)(C)C ZINC000303473493 685233712 /nfs/dbraw/zinc/23/37/12/685233712.db2.gz KQFCTGZLKNRCQM-UHFFFAOYSA-N 1 0 304.438 2.160 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NCCc1ccc2c(c1)OCO2 ZINC000303788618 685235255 /nfs/dbraw/zinc/23/52/55/685235255.db2.gz UJXFAPOBVRZGPB-UHFFFAOYSA-N 1 0 317.414 2.166 10 30 DEEERO CC(C)c1noc(CCCNC(=[NH2+])NCCc2cccs2)n1 ZINC000303891249 685237372 /nfs/dbraw/zinc/23/73/72/685237372.db2.gz QMOGIBLJTVWQSQ-UHFFFAOYSA-N 1 0 321.450 2.334 10 30 DEEERO CCOC(=O)N[C@@H](CNC(=[NH2+])NC1CCCCC1)CC(C)C ZINC000303888421 685238066 /nfs/dbraw/zinc/23/80/66/685238066.db2.gz OYFINYJGWXDYLF-CQSZACIVSA-N 1 0 312.458 2.384 10 30 DEEERO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N+]12CCN(CC1)CC2 ZINC000015454115 717111915 /nfs/dbraw/zinc/11/19/15/717111915.db2.gz MFGFXVSWNGPLKK-CYBMUJFWSA-O 1 0 308.833 2.121 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724067477 777234408 /nfs/dbraw/zinc/23/44/08/777234408.db2.gz IDVANPZDRQGWJD-RBSFLKMASA-N 1 0 310.438 2.308 10 30 DEEERO C#CC[C@H](COC)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000714242105 792304715 /nfs/dbraw/zinc/30/47/15/792304715.db2.gz XLHDINSQDGFICY-HUUCEWRRSA-N 1 0 310.438 2.261 10 30 DEEERO C#CC[C@@H](COC)[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000716826709 793008365 /nfs/dbraw/zinc/00/83/65/793008365.db2.gz BWQOYKNDYPADCG-IRXDYDNUSA-N 1 0 316.401 2.025 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000716826707 793008724 /nfs/dbraw/zinc/00/87/24/793008724.db2.gz BWQOYKNDYPADCG-IAGOWNOFSA-N 1 0 316.401 2.025 10 30 DEEERO CC#CC[C@H](CO)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000717741200 799430451 /nfs/dbraw/zinc/43/04/51/799430451.db2.gz VWKNQOUVRKORAX-QLFBSQMISA-N 1 0 322.449 2.186 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405258669 802045295 /nfs/dbraw/zinc/04/52/95/802045295.db2.gz MBJHPPIOQHRBPM-RDBSUJKOSA-N 1 0 310.438 2.349 10 30 DEEERO C[C@@]12CN(c3ncncc3C#N)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702297056 1086419665 /nfs/dbraw/zinc/41/96/65/1086419665.db2.gz AGPFDHAIFQDWMF-PKOBYXMFSA-N 1 0 319.412 2.307 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000076734146 185036868 /nfs/dbraw/zinc/03/68/68/185036868.db2.gz AXFIYOBIJKVQGX-UHFFFAOYSA-N 1 0 305.378 2.241 10 30 DEEERO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)CC1(O)CCC1 ZINC000625104639 365644160 /nfs/dbraw/zinc/64/41/60/365644160.db2.gz CSKNGUNIRGKHHD-INIZCTEOSA-N 1 0 305.418 2.349 10 30 DEEERO COc1ccc(C#CC[NH3+])c(CN(C)Cc2cscn2)c1 ZINC000087794726 185231966 /nfs/dbraw/zinc/23/19/66/185231966.db2.gz KFSPLDYJVLCVBY-UHFFFAOYSA-N 1 0 301.415 2.094 10 30 DEEERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1cccc(C#N)c1 ZINC000090700138 185310494 /nfs/dbraw/zinc/31/04/94/185310494.db2.gz NVESKVCQPVGXET-OAHLLOKOSA-N 1 0 303.431 2.068 10 30 DEEERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000334069555 529799697 /nfs/dbraw/zinc/79/96/97/529799697.db2.gz GFJPHJZAGGYKSB-XUWVNRHRSA-N 1 0 304.438 2.194 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000625702119 365875301 /nfs/dbraw/zinc/87/53/01/365875301.db2.gz DFDXSPWINJAJIW-DOTOQJQBSA-N 1 0 305.418 2.471 10 30 DEEERO C=CC[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000625705602 365876482 /nfs/dbraw/zinc/87/64/82/365876482.db2.gz RDODFOCMWXYMDN-HNNXBMFYSA-N 1 0 308.381 2.184 10 30 DEEERO Cc1cc(C#CC[NH3+])cc(C(=O)N2CCS[C@@H](C)[C@@H]2C)c1 ZINC000133678804 186005686 /nfs/dbraw/zinc/00/56/86/186005686.db2.gz FJQZVJBWRTYYGJ-KBPBESRZSA-N 1 0 302.443 2.271 10 30 DEEERO C=CCN(C(C)C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000139260748 186021212 /nfs/dbraw/zinc/02/12/12/186021212.db2.gz SWGLDTVEGAXECD-UHFFFAOYSA-N 1 0 318.389 2.269 10 30 DEEERO [NH3+]CC#Cc1ccsc1CNC(=O)c1cc(Cl)ccc1O ZINC000148658641 186045537 /nfs/dbraw/zinc/04/55/37/186045537.db2.gz VZOOAJCZJLWKIF-UHFFFAOYSA-N 1 0 320.801 2.347 10 30 DEEERO C=C[C@H](CC(=O)N1CC[NH+]([C@@H](CC)CO)CC1)c1ccccc1 ZINC000270468415 186399773 /nfs/dbraw/zinc/39/97/73/186399773.db2.gz HDFBSQPVBUBLOP-AEFFLSMTSA-N 1 0 316.445 2.261 10 30 DEEERO CC(C)(C)C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000172033317 198029481 /nfs/dbraw/zinc/02/94/81/198029481.db2.gz NVAXGJSIBGZPLE-UHFFFAOYSA-N 1 0 304.438 2.400 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)C1CCCCC1 ZINC000329560246 539923295 /nfs/dbraw/zinc/92/32/95/539923295.db2.gz REQJUPMMPQOGCH-UKRRQHHQSA-N 1 0 307.438 2.218 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1ccccc1C#N ZINC000174534058 198349091 /nfs/dbraw/zinc/34/90/91/198349091.db2.gz ZLRPCWSXDNPZPY-INIZCTEOSA-N 1 0 314.433 2.303 10 30 DEEERO C=CCCC[C@H](C)[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000091591081 355601450 /nfs/dbraw/zinc/60/14/50/355601450.db2.gz GGAXXHRWSGFXAL-IRXDYDNUSA-N 1 0 307.482 2.360 10 30 DEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(=O)OC(C)(C)C ZINC000595603886 358498799 /nfs/dbraw/zinc/49/87/99/358498799.db2.gz QAIJURJYVFUNBF-ZIAGYGMSSA-N 1 0 310.438 2.169 10 30 DEEERO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182279706 356119476 /nfs/dbraw/zinc/11/94/76/356119476.db2.gz VCIWXRCLDYXCIV-QWHCGFSZSA-N 1 0 317.389 2.074 10 30 DEEERO C[C@H](C#N)CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000182376705 356124860 /nfs/dbraw/zinc/12/48/60/356124860.db2.gz OLRUFQMFXOSWFF-CQSZACIVSA-N 1 0 300.406 2.241 10 30 DEEERO C[C@@H](C#N)CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000182617401 356132986 /nfs/dbraw/zinc/13/29/86/356132986.db2.gz DOUCHLALLUWYFK-DOTOQJQBSA-N 1 0 314.433 2.500 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000080983149 192208634 /nfs/dbraw/zinc/20/86/34/192208634.db2.gz JUHIKJCGVKTLOP-QGZVFWFLSA-N 1 0 322.412 2.464 10 30 DEEERO C[C@@H](CC[NH2+]Cc1nc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000386167821 356694248 /nfs/dbraw/zinc/69/42/48/356694248.db2.gz XYXQJXZKFTXVLG-JTQLQIEISA-N 1 0 310.423 2.408 10 30 DEEERO C=C(C)[C@H](CO)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000586783654 357369112 /nfs/dbraw/zinc/36/91/12/357369112.db2.gz OTDBZIYHVKJQEQ-INIZCTEOSA-N 1 0 304.365 2.478 10 30 DEEERO Cc1cc(C#N)cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000588003166 357387298 /nfs/dbraw/zinc/38/72/98/357387298.db2.gz IHEIEVZVVDWEQN-QGZVFWFLSA-N 1 0 314.433 2.343 10 30 DEEERO N#Cc1cc(Br)cnc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000591439700 357722292 /nfs/dbraw/zinc/72/22/92/357722292.db2.gz WXFWBMVUOXOIKZ-CQSZACIVSA-N 1 0 321.222 2.296 10 30 DEEERO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000627033221 366414122 /nfs/dbraw/zinc/41/41/22/366414122.db2.gz CSWVRSRQBBCHNN-JKSUJKDBSA-N 1 0 303.406 2.191 10 30 DEEERO C=CC[C@H]1CCC[N@@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595659898 358515078 /nfs/dbraw/zinc/51/50/78/358515078.db2.gz QTUJRHWDVLILGS-LSDHHAIUSA-N 1 0 322.449 2.217 10 30 DEEERO C=CC[C@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000595925988 358582880 /nfs/dbraw/zinc/58/28/80/358582880.db2.gz ATMYWYGLYTWMGF-MRXNPFEDSA-N 1 0 303.362 2.252 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2cccc(CC(=O)OCC)c2)CCC[NH2+]1 ZINC000595937588 358584124 /nfs/dbraw/zinc/58/41/24/358584124.db2.gz HLHGNDLBZMQFCD-SFHVURJKSA-N 1 0 316.401 2.429 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)OCC)cc2O)CCC[NH2+]1 ZINC000595955320 358586489 /nfs/dbraw/zinc/58/64/89/358586489.db2.gz MZWZSDYDSRDKOV-KRWDZBQOSA-N 1 0 318.373 2.206 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2cc(C(=O)OC)sc2C)CCC[NH2+]1 ZINC000598666745 359282020 /nfs/dbraw/zinc/28/20/20/359282020.db2.gz ONXQBRZTJSEEQI-HNNXBMFYSA-N 1 0 308.403 2.480 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000599526870 359517742 /nfs/dbraw/zinc/51/77/42/359517742.db2.gz VIYJZJTTWHYKPU-CYBMUJFWSA-N 1 0 315.373 2.382 10 30 DEEERO CC(C)C[NH2+]CCn1nnnc1SCCCC(C)(C)C#N ZINC000089691152 192843809 /nfs/dbraw/zinc/84/38/09/192843809.db2.gz NHUXDABOAMGOPS-UHFFFAOYSA-N 1 0 310.471 2.341 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599940389 359623695 /nfs/dbraw/zinc/62/36/95/359623695.db2.gz ONHWJOAIIFZRQB-WMLDXEAASA-N 1 0 312.417 2.396 10 30 DEEERO C[C@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000187900700 200173006 /nfs/dbraw/zinc/17/30/06/200173006.db2.gz IMETZTOGHTZGBP-KSSFIOAISA-N 1 0 315.417 2.370 10 30 DEEERO C=C(C)[C@H](CC(=O)N1CCC([N@@H+]2CCCOCC2)CC1)OCC ZINC000627740983 366607394 /nfs/dbraw/zinc/60/73/94/366607394.db2.gz MTIZMPFJVFYQKR-KRWDZBQOSA-N 1 0 324.465 2.071 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602692840 360502312 /nfs/dbraw/zinc/50/23/12/360502312.db2.gz CCMLZTXVCRZOOY-GWCFXTLKSA-N 1 0 303.318 2.417 10 30 DEEERO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCc2ncnn21 ZINC000602770095 360544167 /nfs/dbraw/zinc/54/41/67/360544167.db2.gz VOJNUAHMUIKTAY-OAHLLOKOSA-N 1 0 313.361 2.362 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000609201526 361289546 /nfs/dbraw/zinc/28/95/46/361289546.db2.gz KFUWYNLSUZRCNG-AWEZNQCLSA-N 1 0 303.362 2.061 10 30 DEEERO C=CCOCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611543873 361627107 /nfs/dbraw/zinc/62/71/07/361627107.db2.gz CCNULDNJYFYEAO-UHFFFAOYSA-N 1 0 316.361 2.288 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000623628524 365107862 /nfs/dbraw/zinc/10/78/62/365107862.db2.gz PJWJVANGEXCWNV-HNNXBMFYSA-N 1 0 323.481 2.389 10 30 DEEERO C=CCCCNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000623964300 365237434 /nfs/dbraw/zinc/23/74/34/365237434.db2.gz CEHBHVSQYBAUJO-UHFFFAOYSA-N 1 0 309.454 2.239 10 30 DEEERO C[C@H]1CCCN(C(=O)N(C)Cc2cc(C#CC[NH3+])cs2)C1 ZINC000091992515 193138700 /nfs/dbraw/zinc/13/87/00/193138700.db2.gz ZUAYVAQFKRAZRK-ZDUSSCGKSA-N 1 0 305.447 2.342 10 30 DEEERO C=C1CC(C)(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000630862359 367886432 /nfs/dbraw/zinc/88/64/32/367886432.db2.gz HMWLLILZQMRMDY-UHFFFAOYSA-N 1 0 305.466 2.018 10 30 DEEERO Cc1sc(NC(=O)CN(C)CC(C)(C)C[NH3+])c(C#N)c1C ZINC000093873833 193322385 /nfs/dbraw/zinc/32/23/85/193322385.db2.gz VZOCPZCYLFDLJD-UHFFFAOYSA-N 1 0 308.451 2.092 10 30 DEEERO [NH3+]CC#Cc1ccc(O[C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000094408518 193367985 /nfs/dbraw/zinc/36/79/85/193367985.db2.gz DZLWFNUNJNZLIH-IAGOWNOFSA-N 1 0 303.427 2.430 10 30 DEEERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)n1ccnc1C#N ZINC000094936522 193406568 /nfs/dbraw/zinc/40/65/68/193406568.db2.gz PNBOEKGKSCHHFT-TVQRCGJNSA-N 1 0 305.179 2.454 10 30 DEEERO N#C[C@@H](c1cc(Br)ccc1F)N1CCC[NH2+]CC1 ZINC000037940419 182940497 /nfs/dbraw/zinc/94/04/97/182940497.db2.gz LGDQANFCMFPVJU-ZDUSSCGKSA-N 1 0 312.186 2.448 10 30 DEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)c1ccc(O)cc1 ZINC000042365092 183259217 /nfs/dbraw/zinc/25/92/17/183259217.db2.gz ZSDHMKRGDSRRLB-UHFFFAOYSA-N 1 0 300.383 2.036 10 30 DEEERO CC(C)CN(C(C)C)S(=O)(=O)c1ccc(C#CC[NH3+])cc1 ZINC000042598231 183289743 /nfs/dbraw/zinc/28/97/43/183289743.db2.gz GUVXRLFHJBCPCM-UHFFFAOYSA-N 1 0 308.447 2.052 10 30 DEEERO [NH3+]CC#Cc1ccsc1CSc1nnnn1C1CCCC1 ZINC000043685634 183380061 /nfs/dbraw/zinc/38/00/61/183380061.db2.gz XDKKOFXEQRCUAJ-UHFFFAOYSA-N 1 0 319.459 2.452 10 30 DEEERO N#Cc1cc(Br)cnc1N1CCC(CC[NH3+])CC1 ZINC000311067510 291693309 /nfs/dbraw/zinc/69/33/09/291693309.db2.gz YINUMPMPUJLHHV-UHFFFAOYSA-N 1 0 309.211 2.281 10 30 DEEERO Cn1nccc1[C@H]1[C@H](CNc2ccc(C#N)nc2)CCC[N@@H+]1C ZINC000284505146 218055822 /nfs/dbraw/zinc/05/58/22/218055822.db2.gz BSXKJLHQPUZGSU-SUMWQHHRSA-N 1 0 310.405 2.182 10 30 DEEERO N#Cc1ccc(OCC[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000105804372 194132427 /nfs/dbraw/zinc/13/24/27/194132427.db2.gz DRLJJAZAKDCDJJ-UHFFFAOYSA-N 1 0 323.400 2.304 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1cnccc1C#N ZINC000285105150 218291711 /nfs/dbraw/zinc/29/17/11/218291711.db2.gz ZLFIWIMTWXEFJI-MAUKXSAKSA-N 1 0 324.432 2.206 10 30 DEEERO CCC[C@@H](C#N)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000109457716 194264315 /nfs/dbraw/zinc/26/43/15/194264315.db2.gz TXOVMYOKJTYESI-ZDUSSCGKSA-N 1 0 307.360 2.265 10 30 DEEERO C[NH2+][C@H](C)c1ccc(-n2cnc(C#N)n2)c(Br)c1 ZINC000061842299 184189792 /nfs/dbraw/zinc/18/97/92/184189792.db2.gz OWTPBNCMRAEAKL-MRVPVSSYSA-N 1 0 306.167 2.182 10 30 DEEERO Cc1cc(S(=O)(=O)NCCCC(C)C)ccc1C#CC[NH3+] ZINC000062096781 184205890 /nfs/dbraw/zinc/20/58/90/184205890.db2.gz UREQKGVLKHETNN-UHFFFAOYSA-N 1 0 308.447 2.020 10 30 DEEERO CC[C@@H]1CN(C(=O)c2cc(C)ccc2C#CC[NH3+])CCS1 ZINC000157978065 197232221 /nfs/dbraw/zinc/23/22/21/197232221.db2.gz HDLVCJXVNCZJQN-OAHLLOKOSA-N 1 0 302.443 2.273 10 30 DEEERO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000156656678 197131498 /nfs/dbraw/zinc/13/14/98/197131498.db2.gz DRLOBHGOAISJDO-QAPCUYQASA-N 1 0 318.848 2.344 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NC[C@H]2CCCCS2)c(F)c1 ZINC000156566800 197123535 /nfs/dbraw/zinc/12/35/35/197123535.db2.gz IMBQTQNHTDDQRJ-CYBMUJFWSA-N 1 0 306.406 2.151 10 30 DEEERO C[C@H](NC(=O)[C@H]1CCCCS1)c1cccc(C#CC[NH3+])c1 ZINC000156280916 197100787 /nfs/dbraw/zinc/10/07/87/197100787.db2.gz NKPIZZIMSQPBAE-XJKSGUPXSA-N 1 0 302.443 2.460 10 30 DEEERO CCn1c(=O)ccc2c1CC[C@@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC000096067596 257136623 /nfs/dbraw/zinc/13/66/23/257136623.db2.gz KSVYPZHPRLHHAK-QGZVFWFLSA-N 1 0 307.397 2.387 10 30 DEEERO CCn1c(=O)ccc2c1CC[C@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC000096067595 257136789 /nfs/dbraw/zinc/13/67/89/257136789.db2.gz KSVYPZHPRLHHAK-KRWDZBQOSA-N 1 0 307.397 2.387 10 30 DEEERO COCc1nc(CNC(=[NH2+])N(C)C)c(-c2ccccc2)s1 ZINC000262816505 533279932 /nfs/dbraw/zinc/27/99/32/533279932.db2.gz WXTIKOFKIBLFLH-UHFFFAOYSA-N 1 0 304.419 2.333 10 30 DEEERO N#Cc1cnccc1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000547835269 285647209 /nfs/dbraw/zinc/64/72/09/285647209.db2.gz GMKIGHVNDWJANR-UHFFFAOYSA-N 1 0 314.433 2.070 10 30 DEEERO C[NH+](C)CCCOc1ccc(CNc2ccncc2C#N)cc1 ZINC000548152529 285695583 /nfs/dbraw/zinc/69/55/83/285695583.db2.gz DAQKSGFKPDNYPZ-UHFFFAOYSA-N 1 0 310.401 2.318 10 30 DEEERO Cc1nccn1-c1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cn1 ZINC000190802431 145048036 /nfs/dbraw/zinc/04/80/36/145048036.db2.gz HMKROJIXUBHZDJ-UHFFFAOYSA-N 1 0 306.373 2.076 10 30 DEEERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCOc3cccc(C#N)c3)[C@H]2C1 ZINC000246590936 145107657 /nfs/dbraw/zinc/10/76/57/145107657.db2.gz MLJFVGFOWIJGSA-BPQIPLTHSA-N 1 0 316.401 2.205 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000246812072 145115414 /nfs/dbraw/zinc/11/54/14/145115414.db2.gz BUXCLJAADFBLNG-BBRMVZONSA-N 1 0 323.400 2.277 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2C#N)[C@@H](C)C1 ZINC000247209730 145128966 /nfs/dbraw/zinc/12/89/66/145128966.db2.gz CDVLQYFXAZLXDU-GOEBONIOSA-N 1 0 315.417 2.126 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000247576246 145141535 /nfs/dbraw/zinc/14/15/35/145141535.db2.gz HUUXHKLEOAPMBK-CQSZACIVSA-N 1 0 305.397 2.240 10 30 DEEERO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000249627775 145188145 /nfs/dbraw/zinc/18/81/45/145188145.db2.gz QSEWQCCYIXALMP-DNVCBOLYSA-N 1 0 323.444 2.292 10 30 DEEERO C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(C#N)cc1F ZINC000358571218 147158397 /nfs/dbraw/zinc/15/83/97/147158397.db2.gz OVLYQPFYNGSDFG-UONOGXRCSA-N 1 0 305.397 2.316 10 30 DEEERO C[NH+]1CCC([C@@H]2CCN(C(=O)c3sccc3C#N)C2)CC1 ZINC000372306024 148192553 /nfs/dbraw/zinc/19/25/53/148192553.db2.gz YZUZPIPZGHITAZ-CQSZACIVSA-N 1 0 303.431 2.424 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000073990887 401727158 /nfs/dbraw/zinc/72/71/58/401727158.db2.gz SAYHJFHGBFDYOM-IMJJTQAJSA-N 1 0 313.401 2.021 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000111886161 401727243 /nfs/dbraw/zinc/72/72/43/401727243.db2.gz VGABRCQCGUARQM-HNNXBMFYSA-N 1 0 303.406 2.097 10 30 DEEERO C[NH+](C)[C@@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000110702441 401693281 /nfs/dbraw/zinc/69/32/81/401693281.db2.gz JJLICALNJPIIGQ-MRXNPFEDSA-N 1 0 315.417 2.270 10 30 DEEERO N#Cc1cnc(NCc2nccn2CCc2ccccc2)cn1 ZINC000126641089 401702934 /nfs/dbraw/zinc/70/29/34/401702934.db2.gz XHUVGNSUUZKEHO-UHFFFAOYSA-N 1 0 304.357 2.400 10 30 DEEERO C=CCC[C@H](C[N@@H+]1CCCOCC1)Oc1cc(C#N)ccn1 ZINC000072421337 401709724 /nfs/dbraw/zinc/70/97/24/401709724.db2.gz BOAITMZBDVRQNZ-MRXNPFEDSA-N 1 0 301.390 2.389 10 30 DEEERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)cn1 ZINC000116312426 401849508 /nfs/dbraw/zinc/84/95/08/401849508.db2.gz ZMMQFLCNYJFELI-OAHLLOKOSA-N 1 0 323.400 2.110 10 30 DEEERO C[C@H]1C[C@@H](N(C)C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1C ZINC000089815122 401965836 /nfs/dbraw/zinc/96/58/36/401965836.db2.gz BKYIVCJIKQWSKE-HOCLYGCPSA-N 1 0 315.417 2.073 10 30 DEEERO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)n2c1 ZINC000121210397 402020437 /nfs/dbraw/zinc/02/04/37/402020437.db2.gz UNZVJWPQLCIYLW-AWEZNQCLSA-N 1 0 306.373 2.309 10 30 DEEERO CC(C)[N@@H+]1CCC[C@H](CNCc2cnc3ccc(C#N)cn23)C1 ZINC000123637739 402138868 /nfs/dbraw/zinc/13/88/68/402138868.db2.gz DZARGPPRMFKBES-MRXNPFEDSA-N 1 0 311.433 2.416 10 30 DEEERO Cc1nccn1CCCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000125433832 402232463 /nfs/dbraw/zinc/23/24/63/402232463.db2.gz VVJXPJWSPPAXRV-UHFFFAOYSA-N 1 0 324.432 2.061 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000185291590 402341771 /nfs/dbraw/zinc/34/17/71/402341771.db2.gz KFKDHHHWLDOGLL-HNNXBMFYSA-N 1 0 316.449 2.052 10 30 DEEERO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1ccc(C#N)s1)CC2 ZINC000176965089 402354632 /nfs/dbraw/zinc/35/46/32/402354632.db2.gz UNXVJWKINJZWBU-LLVKDONJSA-N 1 0 301.419 2.439 10 30 DEEERO C=CC[C@@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000185811311 402379103 /nfs/dbraw/zinc/37/91/03/402379103.db2.gz MVNDLAIUNHMNSV-DLBZAZTESA-N 1 0 302.418 2.094 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC(C)(C)O2)CC1 ZINC000186586201 402444590 /nfs/dbraw/zinc/44/45/90/402444590.db2.gz JYEPIICRELKPOC-OAHLLOKOSA-N 1 0 309.454 2.284 10 30 DEEERO C[C@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCO1 ZINC000245525078 402467906 /nfs/dbraw/zinc/46/79/06/402467906.db2.gz OBTIVXIMQBEYDZ-YOEHRIQHSA-N 1 0 313.401 2.164 10 30 DEEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000178752911 402535288 /nfs/dbraw/zinc/53/52/88/402535288.db2.gz DVEBLXROGXUDOF-KRWDZBQOSA-N 1 0 323.400 2.166 10 30 DEEERO Cc1nc(CN2CCC[N@H+](CC(C)(C)CCC#N)CC2)no1 ZINC000179214353 402581499 /nfs/dbraw/zinc/58/14/99/402581499.db2.gz MTVNBRBBPGUCNB-UHFFFAOYSA-N 1 0 305.426 2.216 10 30 DEEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182348511 402682750 /nfs/dbraw/zinc/68/27/50/402682750.db2.gz KYULAMBURHSWDM-NWANDNLSSA-N 1 0 304.438 2.414 10 30 DEEERO N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)cc1 ZINC000184251820 402830643 /nfs/dbraw/zinc/83/06/43/402830643.db2.gz GSAZQPCTPKSZTE-QGZVFWFLSA-N 1 0 306.369 2.238 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000184263900 402831573 /nfs/dbraw/zinc/83/15/73/402831573.db2.gz JCQGUPDHJPDEJP-GFCCVEGCSA-N 1 0 300.196 2.490 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000346254512 403581103 /nfs/dbraw/zinc/58/11/03/403581103.db2.gz VQRSEPPAOMLOJH-IAGOWNOFSA-N 1 0 306.450 2.445 10 30 DEEERO C=CCN1CC[C@@H](N(CC[NH+]2CCCCCC2)C(C)C)C1=O ZINC000347336056 403668924 /nfs/dbraw/zinc/66/89/24/403668924.db2.gz KGLFNEDPOKASCL-QGZVFWFLSA-N 1 0 307.482 2.360 10 30 DEEERO CCN1CC[NH+](C[C@@H](C)CNc2cc(C)nc(C)c2C#N)CC1 ZINC000301803031 403681758 /nfs/dbraw/zinc/68/17/58/403681758.db2.gz WTCQSRKRKAMUNU-AWEZNQCLSA-N 1 0 315.465 2.256 10 30 DEEERO C#CCCOc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000294763231 403732092 /nfs/dbraw/zinc/73/20/92/403732092.db2.gz ZXEFWGUDGAVJDY-INIZCTEOSA-N 1 0 300.402 2.255 10 30 DEEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000305073610 403819077 /nfs/dbraw/zinc/81/90/77/403819077.db2.gz KFCQCOAHOUVEAZ-NVXWUHKLSA-N 1 0 318.417 2.425 10 30 DEEERO C=CCC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2OC)CC1 ZINC000305097205 403830277 /nfs/dbraw/zinc/83/02/77/403830277.db2.gz VDERIGWDWHSZHW-OAHLLOKOSA-N 1 0 308.397 2.283 10 30 DEEERO C[C@@H](CCC#N)[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000411572072 403898944 /nfs/dbraw/zinc/89/89/44/403898944.db2.gz QWXSCHUCLIWUSJ-FUHWJXTLSA-N 1 0 301.434 2.247 10 30 DEEERO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC[C@H]21 ZINC000334085577 403909670 /nfs/dbraw/zinc/90/96/70/403909670.db2.gz LWAYWDGOAOVEKI-XUWVNRHRSA-N 1 0 304.438 2.194 10 30 DEEERO Cc1nn(C)cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328644416 404122877 /nfs/dbraw/zinc/12/28/77/404122877.db2.gz ZHERQGJSHMZEDD-HOCLYGCPSA-N 1 0 313.405 2.121 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nccc(C)n1)C(C)C ZINC000349875450 404239548 /nfs/dbraw/zinc/23/95/48/404239548.db2.gz GQENMFTUQFIJBI-HNNXBMFYSA-N 1 0 302.422 2.213 10 30 DEEERO Cn1cc(CN2CCCN(C(=O)NCC3CCCC3)CC2)cn1 ZINC000329275087 404288032 /nfs/dbraw/zinc/28/80/32/404288032.db2.gz BLFFVNBKNLGAOD-UHFFFAOYSA-N 1 0 319.453 2.032 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000355784184 404367006 /nfs/dbraw/zinc/36/70/06/404367006.db2.gz OLIXQKGPPFSPDG-AEFFLSMTSA-N 1 0 306.450 2.468 10 30 DEEERO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000291641688 404460626 /nfs/dbraw/zinc/46/06/26/404460626.db2.gz BPJMMEZFTWJDDS-SJLPKXTDSA-N 1 0 312.417 2.397 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@H](C)c2ccccc2-n2cccn2)C1=O ZINC000373959925 404656523 /nfs/dbraw/zinc/65/65/23/404656523.db2.gz WSCYOCUQILJCKX-ZBFHGGJFSA-N 1 0 310.401 2.310 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000297705500 404597489 /nfs/dbraw/zinc/59/74/89/404597489.db2.gz RPGQNFUHYWXXSL-MSOLQXFVSA-N 1 0 311.429 2.294 10 30 DEEERO Cc1ccc2ncc(C#N)c(N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1 ZINC000291975434 404608737 /nfs/dbraw/zinc/60/87/37/404608737.db2.gz PIGFSMJUCJFVIU-MSOLQXFVSA-N 1 0 322.412 2.324 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1CCCC ZINC000356792016 404693688 /nfs/dbraw/zinc/69/36/88/404693688.db2.gz KJANRKUNFOHSLV-MRXNPFEDSA-N 1 0 323.481 2.182 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000358283335 404758646 /nfs/dbraw/zinc/75/86/46/404758646.db2.gz UJENTXSFYCNMMX-HOCLYGCPSA-N 1 0 309.454 2.020 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415377755 404855410 /nfs/dbraw/zinc/85/54/10/404855410.db2.gz GIOOSROAAWQLHA-UHFFFAOYSA-N 1 0 317.433 2.331 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000415812818 404948704 /nfs/dbraw/zinc/94/87/04/404948704.db2.gz TUWWJUYGQPLFSO-OLZOCXBDSA-N 1 0 317.433 2.329 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000435745907 405010471 /nfs/dbraw/zinc/01/04/71/405010471.db2.gz RIEBMGUSHRHZBQ-PMPSAXMXSA-N 1 0 309.454 2.141 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000451413283 404986232 /nfs/dbraw/zinc/98/62/32/404986232.db2.gz PTDXGDGEEAGQOQ-MRXNPFEDSA-N 1 0 314.433 2.424 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000424059469 404988990 /nfs/dbraw/zinc/98/89/90/404988990.db2.gz FTEMEXKHCSDTLQ-MJBXVCDLSA-N 1 0 323.462 2.241 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000354286781 405140843 /nfs/dbraw/zinc/14/08/43/405140843.db2.gz FJRLMDUJSOCVKZ-HNNXBMFYSA-N 1 0 303.362 2.204 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]([NH3+])CC ZINC000418736348 405186742 /nfs/dbraw/zinc/18/67/42/405186742.db2.gz UNGJSGUGVDERKH-CYBMUJFWSA-N 1 0 306.366 2.030 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000424935824 405215400 /nfs/dbraw/zinc/21/54/00/405215400.db2.gz ZKZDZZLAZSZPGT-YESZJQIVSA-N 1 0 302.418 2.387 10 30 DEEERO Cc1oc(NC(=O)C[NH2+]C2(CCO)CCCCC2)c(C#N)c1C ZINC000440890740 405330633 /nfs/dbraw/zinc/33/06/33/405330633.db2.gz HIEJVQFHRGWOPN-UHFFFAOYSA-N 1 0 319.405 2.382 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)NCc2cnc(CCC)o2)CC1 ZINC000454460320 405348232 /nfs/dbraw/zinc/34/82/32/405348232.db2.gz HSYKPVWLJAQKLK-UHFFFAOYSA-N 1 0 320.437 2.467 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)NCc2c(C)onc2CC)CC1 ZINC000454464947 405349294 /nfs/dbraw/zinc/34/92/94/405349294.db2.gz ODTONKGHJJPEDD-UHFFFAOYSA-N 1 0 320.437 2.385 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000425559626 405303111 /nfs/dbraw/zinc/30/31/11/405303111.db2.gz ZPAWQVUWTIOQGP-ULQDDVLXSA-N 1 0 323.481 2.387 10 30 DEEERO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000633207551 405503118 /nfs/dbraw/zinc/50/31/18/405503118.db2.gz FKDBJXVFJCEPBQ-HZPDHXFCSA-N 1 0 323.481 2.483 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@H]2CCCCN2CCO)cc1 ZINC000449393640 405542698 /nfs/dbraw/zinc/54/26/98/405542698.db2.gz MIRRMEWQIUWBDF-QGZVFWFLSA-N 1 0 304.434 2.188 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638644386 405591024 /nfs/dbraw/zinc/59/10/24/405591024.db2.gz PZYWLYPFDYPFCF-STQMWFEESA-N 1 0 304.390 2.130 10 30 DEEERO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529354854 405755917 /nfs/dbraw/zinc/75/59/17/405755917.db2.gz KHYJFPSRIBWYEM-HNNXBMFYSA-N 1 0 303.406 2.304 10 30 DEEERO C=C(C)[C@@H](CC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)OCC ZINC000634093564 406001677 /nfs/dbraw/zinc/00/16/77/406001677.db2.gz PEWCMTYAWJMIDG-MRXNPFEDSA-N 1 0 320.437 2.460 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000632471336 406153210 /nfs/dbraw/zinc/15/32/10/406153210.db2.gz GNSNHFJEDUXHNB-UHFFFAOYSA-N 1 0 323.481 2.038 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000632722973 406240057 /nfs/dbraw/zinc/24/00/57/406240057.db2.gz DCBRKDWPLDMBDP-UHFFFAOYSA-N 1 0 323.481 2.038 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000637322498 406257689 /nfs/dbraw/zinc/25/76/89/406257689.db2.gz AZGQNGZLXBBGKR-INIZCTEOSA-N 1 0 323.481 2.485 10 30 DEEERO C=CCc1cc(C(=O)N(C)CCC[NH+](C)C)cc(OC)c1OC ZINC000537215728 406286577 /nfs/dbraw/zinc/28/65/77/406286577.db2.gz VZHAKMKZORPLNM-UHFFFAOYSA-N 1 0 320.433 2.456 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000569931975 406322678 /nfs/dbraw/zinc/32/26/78/406322678.db2.gz RPKIKYUBIIUYFN-APSKQVOWSA-N 1 0 307.438 2.191 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000633017774 406354439 /nfs/dbraw/zinc/35/44/39/406354439.db2.gz XUKFYDHXNMVZOB-UHFFFAOYSA-N 1 0 317.433 2.453 10 30 DEEERO C=CCCCCCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000573104561 406769658 /nfs/dbraw/zinc/76/96/58/406769658.db2.gz BOQZEEZNKICCBG-OAHLLOKOSA-N 1 0 311.470 2.219 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NCCCC(F)(F)F)cc1F ZINC000131052824 196136313 /nfs/dbraw/zinc/13/63/13/196136313.db2.gz CEZKQICVWBPDPU-UHFFFAOYSA-N 1 0 302.271 2.208 10 30 DEEERO C[NH+](C)Cc1ccc(CNC(=[NH2+])Nc2ccccn2)cc1F ZINC000262018429 225264503 /nfs/dbraw/zinc/26/45/03/225264503.db2.gz LSSWRXYZKASEJH-UHFFFAOYSA-N 1 0 301.369 2.209 10 30 DEEERO Cc1oc2ccccc2c1CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262348959 225268439 /nfs/dbraw/zinc/26/84/39/225268439.db2.gz DUJUVLYEJNIWCY-ZDUSSCGKSA-N 1 0 301.390 2.367 10 30 DEEERO Cc1[nH]c2ccc(CNC(=[NH2+])N3CCO[C@H](C)C3)cc2c1C ZINC000262503976 225276052 /nfs/dbraw/zinc/27/60/52/225276052.db2.gz ZGBHEJVLQKOWFO-LLVKDONJSA-N 1 0 300.406 2.320 10 30 DEEERO [NH2+]=C(NCc1nccc(C(F)(F)F)n1)NC1CCCCC1 ZINC000263084840 225291568 /nfs/dbraw/zinc/29/15/68/225291568.db2.gz IDLPOLYEOPAXNE-UHFFFAOYSA-N 1 0 301.316 2.232 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000333807145 226110853 /nfs/dbraw/zinc/11/08/53/226110853.db2.gz OZVKFRHUIGISSC-JJXSEGSLSA-N 1 0 304.438 2.100 10 30 DEEERO Cn1nccc1[C@H]1[C@H](CNc2cccnc2C#N)CCC[N@@H+]1C ZINC000291055248 222104100 /nfs/dbraw/zinc/10/41/00/222104100.db2.gz FGBMGGSMKMWTOR-SUMWQHHRSA-N 1 0 310.405 2.182 10 30 DEEERO C=C(C)C[NH+]1CCC(Nc2nc(C(=O)OCC)cs2)CC1 ZINC000450320695 425068583 /nfs/dbraw/zinc/06/85/83/425068583.db2.gz WZNOXARXIRZIDM-UHFFFAOYSA-N 1 0 309.435 2.772 10 30 DEEERO CCO[C@H]1C[C@H](NC(=[NH2+])NC2CCCCC2)C12CCOCC2 ZINC000184646550 276363816 /nfs/dbraw/zinc/36/38/16/276363816.db2.gz HQHXKNWKXPGLEL-GJZGRUSLSA-N 1 0 309.454 2.198 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)O2)C(C)C ZINC000340966156 276891563 /nfs/dbraw/zinc/89/15/63/276891563.db2.gz XDJQQKNCSPOHAJ-IXDOHACOSA-N 1 0 321.465 2.258 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N(C[C@@H](C)OC)C(C)C)CC1 ZINC000355177602 277774892 /nfs/dbraw/zinc/77/48/92/277774892.db2.gz WVGHKUDGDNBOPG-OAHLLOKOSA-N 1 0 311.470 2.482 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@]12CCOC2)C(C)C ZINC000422172004 277848492 /nfs/dbraw/zinc/84/84/92/277848492.db2.gz NSVKCLAMVQFIKB-WMZOPIPTSA-N 1 0 321.465 2.259 10 30 DEEERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329516627 280247572 /nfs/dbraw/zinc/24/75/72/280247572.db2.gz MUYKKYMYKPELAM-XUWVNRHRSA-N 1 0 310.438 2.259 10 30 DEEERO CC[NH+]=C(NCCc1cc(F)cc2c1OCOC2)N1CCCC1 ZINC000263227714 280839607 /nfs/dbraw/zinc/83/96/07/280839607.db2.gz GWZAYCDHCRTYPI-UHFFFAOYSA-N 1 0 321.396 2.296 10 30 DEEERO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329549493 289573585 /nfs/dbraw/zinc/57/35/85/289573585.db2.gz FGKXTAYYQZVINJ-QKPAOTATSA-N 1 0 310.438 2.259 10 30 DEEERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC2CCC(C#N)CC2)C1 ZINC000367017160 290238751 /nfs/dbraw/zinc/23/87/51/290238751.db2.gz ODPHFAJFAZIOIW-GQGLESIBSA-N 1 0 318.465 2.442 10 30 DEEERO C[C@@H]1CN([C@@H](CNC(=[NH2+])NC(C)(C)C)c2cccs2)CCO1 ZINC000262477167 297069241 /nfs/dbraw/zinc/06/92/41/297069241.db2.gz QLEWUUWXXYBCQR-OLZOCXBDSA-N 1 0 324.494 2.213 10 30 DEEERO C=CCCCCCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000582554643 337108682 /nfs/dbraw/zinc/10/86/82/337108682.db2.gz ADWZCURDANUPLA-MRXNPFEDSA-N 1 0 309.454 2.097 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000516052338 338003069 /nfs/dbraw/zinc/00/30/69/338003069.db2.gz MWBBPRWRMULIFI-GJZGRUSLSA-N 1 0 309.454 2.141 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000516760054 340455291 /nfs/dbraw/zinc/45/52/91/340455291.db2.gz OMOMBTXNNGEDKJ-INWMFGNUSA-N 1 0 309.431 2.332 10 30 DEEERO C=CCCCCCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000566434863 341558022 /nfs/dbraw/zinc/55/80/22/341558022.db2.gz JNWNSIIELZVMQP-UHFFFAOYSA-N 1 0 309.454 2.239 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)NCCOCC2CCC2)CC1 ZINC000576916821 341869541 /nfs/dbraw/zinc/86/95/41/341869541.db2.gz ZKFQNQKQOVHKMS-UHFFFAOYSA-N 1 0 309.454 2.143 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCc2csc(-c3ccccc3)n2)CCO1 ZINC000262419704 533788555 /nfs/dbraw/zinc/78/85/55/533788555.db2.gz ATKQJZGJIAIAQN-LBPRGKRZSA-N 1 0 316.430 2.346 10 30 DEEERO C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)Oc1cccc(Cl)c1 ZINC000262428483 534299087 /nfs/dbraw/zinc/29/90/87/534299087.db2.gz DFXKZWHNDPRZSY-NEPJUHHUSA-N 1 0 311.813 2.143 10 30 DEEERO COc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1C#N ZINC000128477002 524029401 /nfs/dbraw/zinc/02/94/01/524029401.db2.gz RDKUIYREKVCSNY-HNNXBMFYSA-N 1 0 311.389 2.071 10 30 DEEERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(C#N)cn1C ZINC000157763060 524631413 /nfs/dbraw/zinc/63/14/13/524631413.db2.gz MUGNOBVPZAQQNO-YOEHRIQHSA-N 1 0 322.412 2.147 10 30 DEEERO C[NH+]=C(NCC(=O)NC1CCCCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261838069 526347921 /nfs/dbraw/zinc/34/79/21/526347921.db2.gz WAFDQMNXLFPPDX-GASCZTMLSA-N 1 0 320.481 2.133 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418397767 526348312 /nfs/dbraw/zinc/34/83/12/526348312.db2.gz JVNXBJYPWIXLMD-OAHLLOKOSA-N 1 0 318.377 2.030 10 30 DEEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)CN1CCOCC1 ZINC000411188401 526349370 /nfs/dbraw/zinc/34/93/70/526349370.db2.gz CZFJXUYMGOOPQZ-OAHLLOKOSA-N 1 0 319.405 2.304 10 30 DEEERO C[NH+]=C(NCc1ccc(OC)nc1)N(C)Cc1csc(C)n1 ZINC000261713983 526382214 /nfs/dbraw/zinc/38/22/14/526382214.db2.gz KFNDEMKAZFOKET-UHFFFAOYSA-N 1 0 319.434 2.063 10 30 DEEERO C[NH+]=C(NC[C@@H]1CCc2ccccc21)NC[C@@H]1CCC[C@H]1O ZINC000262776326 526412956 /nfs/dbraw/zinc/41/29/56/526412956.db2.gz JIMDKTFWILRRJO-YQQAZPJKSA-N 1 0 301.434 2.042 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374205690 526541569 /nfs/dbraw/zinc/54/15/69/526541569.db2.gz ACNYSOJTSLTEAE-AWEZNQCLSA-N 1 0 304.438 2.402 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246478298 526633066 /nfs/dbraw/zinc/63/30/66/526633066.db2.gz GKPBIOISGGXLEK-RRQGHBQHSA-N 1 0 320.408 2.404 10 30 DEEERO C=CCOc1cccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1 ZINC000284209192 526905688 /nfs/dbraw/zinc/90/56/88/526905688.db2.gz ZKCGMJSVSAXKFP-DOTOQJQBSA-N 1 0 307.434 2.499 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCc3c2cccc3F)CC1 ZINC000299281417 526930660 /nfs/dbraw/zinc/93/06/60/526930660.db2.gz SDIZJDLYYLCRGQ-QGZVFWFLSA-N 1 0 300.377 2.274 10 30 DEEERO C#CCOc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000246639165 527094976 /nfs/dbraw/zinc/09/49/76/527094976.db2.gz KRIRRKBCNKNTPP-FUHWJXTLSA-N 1 0 312.413 2.255 10 30 DEEERO C#CCOc1ccc(C[N@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)cc1 ZINC000370211061 527101383 /nfs/dbraw/zinc/10/13/83/527101383.db2.gz VFRDWVPPGPZJLM-IEBWSBKVSA-N 1 0 315.413 2.469 10 30 DEEERO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000245601080 527109200 /nfs/dbraw/zinc/10/92/00/527109200.db2.gz VLYFMMLRYBNIBS-ZWKOTPCHSA-N 1 0 316.445 2.342 10 30 DEEERO C=CCCCCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000410735593 527116166 /nfs/dbraw/zinc/11/61/66/527116166.db2.gz YPNOTXLWDYZUIW-HOTGVXAUSA-N 1 0 323.481 2.132 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343034002 527176906 /nfs/dbraw/zinc/17/69/06/527176906.db2.gz WOTUEIUTUCONHC-CRAIPNDOSA-N 1 0 323.481 2.038 10 30 DEEERO C=CC[C@H](CO)NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418486309 527198906 /nfs/dbraw/zinc/19/89/06/527198906.db2.gz IUBFBBAJAZKOLZ-SJORKVTESA-N 1 0 313.401 2.076 10 30 DEEERO C#Cc1ccc(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000296587828 527435904 /nfs/dbraw/zinc/43/59/04/527435904.db2.gz GGMGIBGSYRPFPT-CRAIPNDOSA-N 1 0 311.429 2.436 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373935698 527625954 /nfs/dbraw/zinc/62/59/54/527625954.db2.gz FAUSOZUJRURHTO-CVEARBPZSA-N 1 0 314.433 2.245 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329603371 527977599 /nfs/dbraw/zinc/97/75/99/527977599.db2.gz YKQLGQNGAKBRPZ-ZJIFWQFVSA-N 1 0 310.438 2.115 10 30 DEEERO CCN(CC)C(=[NH2+])NCc1cn2cc(Br)ccc2n1 ZINC000261965194 527983046 /nfs/dbraw/zinc/98/30/46/527983046.db2.gz AXNVVVCEYGQCCH-UHFFFAOYSA-N 1 0 324.226 2.253 10 30 DEEERO CC[NH+]=C(NC[C@@H]1COCCO1)N[C@H](C)c1ccc(C)c(F)c1 ZINC000262020519 528812505 /nfs/dbraw/zinc/81/25/05/528812505.db2.gz YRJMPMIDEMJXGP-UKRRQHHQSA-N 1 0 323.412 2.166 10 30 DEEERO CC[NH+]=C(NC[C@H](O)C(F)(F)F)NC1C[C@H](C)C[C@@H](C)C1 ZINC000262776392 528814752 /nfs/dbraw/zinc/81/47/52/528814752.db2.gz JKYNGXDHXCDCNR-FOGDFJRCSA-N 1 0 309.376 2.289 10 30 DEEERO C[C@@]1(CNC(=[NH2+])NC[C@H]2CCCO2)CCCc2ccccc21 ZINC000091517450 625089047 /nfs/dbraw/zinc/08/90/47/625089047.db2.gz SHPIFNDGFQYDJY-QAPCUYQASA-N 1 0 301.434 2.364 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1ccccc1I ZINC000308878836 625106188 /nfs/dbraw/zinc/10/61/88/625106188.db2.gz OVRCRXOLIRBSPN-NSHDSACASA-N 1 0 317.170 2.318 10 30 DEEERO CC1(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)COC1 ZINC000178575028 625131757 /nfs/dbraw/zinc/13/17/57/625131757.db2.gz REJNJENYYFWISU-UHFFFAOYSA-N 1 0 317.311 2.026 10 30 DEEERO C=C[C@](C)(CCOC)C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000187599615 635303014 /nfs/dbraw/zinc/30/30/14/635303014.db2.gz HNHFQHGNIACIAB-NVXWUHKLSA-N 1 0 313.438 2.115 10 30 DEEERO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2COc3ccccc32)C1 ZINC000328693617 635772943 /nfs/dbraw/zinc/77/29/43/635772943.db2.gz FSYVNDQZWIGTBE-HIFRSBDPSA-N 1 0 303.406 2.356 10 30 DEEERO CC[NH+]=C(NCCN1CCC1)N1CC[C@](C)(c2ccccc2)C1 ZINC000261861327 636628444 /nfs/dbraw/zinc/62/84/44/636628444.db2.gz ZIAMHYZXMVSOQN-IBGZPJMESA-N 1 0 314.477 2.321 10 30 DEEERO C=CCn1nnn(CN2CCC(C[NH+](CC)CC)CC2)c1=S ZINC000738070417 637386606 /nfs/dbraw/zinc/38/66/06/637386606.db2.gz GHFCEZOESMVWME-UHFFFAOYSA-N 1 0 324.498 2.006 10 30 DEEERO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262306441 638695812 /nfs/dbraw/zinc/69/58/12/638695812.db2.gz MISLOPNGNCDYBV-HRCADAONSA-N 1 0 317.433 2.316 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000805183680 640091109 /nfs/dbraw/zinc/09/11/09/640091109.db2.gz JUULTFKMAXRYQT-SJORKVTESA-N 1 0 311.429 2.157 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000807678626 645975937 /nfs/dbraw/zinc/97/59/37/645975937.db2.gz CFBBNRXUBJUUCC-HOCLYGCPSA-N 1 0 300.402 2.488 10 30 DEEERO CC[NH+]=C(NC[C@@H]1CCc2ccccc21)NC[C@@H]1CCCO1 ZINC000174056560 646789574 /nfs/dbraw/zinc/78/95/74/646789574.db2.gz LQWAGPXSEOTBGJ-HOTGVXAUSA-N 1 0 301.434 2.451 10 30 DEEERO CC[NH+]=C(NCCn1cc(C)cn1)N1CCS[C@@H](C(C)C)C1 ZINC000153746966 647644536 /nfs/dbraw/zinc/64/45/36/647644536.db2.gz YJVCRQIVSNNCNA-OAHLLOKOSA-N 1 0 323.510 2.230 10 30 DEEERO C#CCNC(=O)CC[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000732986751 647801593 /nfs/dbraw/zinc/80/15/93/647801593.db2.gz JPDMYJQNPDCRKT-UHFFFAOYSA-N 1 0 316.735 2.171 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)CSc1ccncc1 ZINC000121390199 649414885 /nfs/dbraw/zinc/41/48/85/649414885.db2.gz YNLOSMWIASTRQP-AWEZNQCLSA-N 1 0 306.431 2.451 10 30 DEEERO [NH2+]=C(NC[C@H]1CCCO1)NCC1CCC(C(F)(F)F)CC1 ZINC000072914344 649544547 /nfs/dbraw/zinc/54/45/47/649544547.db2.gz GKKZFGAFRXYJKW-HTAVTVPLSA-N 1 0 307.360 2.438 10 30 DEEERO CC(C)(C)c1nc(CCNC(=[NH2+])NC[C@@H]2CCCO2)cs1 ZINC000305735007 685296600 /nfs/dbraw/zinc/29/66/00/685296600.db2.gz WTBFLHBVAPGGKA-LBPRGKRZSA-N 1 0 310.467 2.066 10 30 DEEERO Cn1cc(C#N)cc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000083768943 683999169 /nfs/dbraw/zinc/99/91/69/683999169.db2.gz KAUYIEGMBFZYPB-MRXNPFEDSA-N 1 0 309.369 2.328 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc(C(=O)OC)c1 ZINC000119440766 684081757 /nfs/dbraw/zinc/08/17/57/684081757.db2.gz AMHBNMQOPXAHLM-AWEZNQCLSA-N 1 0 317.385 2.364 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]C[C@@H](O)c3cccc(F)c3)n2c1 ZINC000123469769 684125238 /nfs/dbraw/zinc/12/52/38/684125238.db2.gz ITADIFLJBFLRQM-MRXNPFEDSA-N 1 0 310.332 2.168 10 30 DEEERO CSCC[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000130169693 684186133 /nfs/dbraw/zinc/18/61/33/684186133.db2.gz QONJRRDIRGDCJQ-GFCCVEGCSA-N 1 0 312.460 2.063 10 30 DEEERO C#CCOc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000188073685 684348529 /nfs/dbraw/zinc/34/85/29/684348529.db2.gz QDVLUIXCWXECNI-CQSZACIVSA-N 1 0 301.390 2.304 10 30 DEEERO C[NH+]=C(NCc1ccco1)NCc1cccc(OCCOC)c1 ZINC000303412937 685233312 /nfs/dbraw/zinc/23/33/12/685233312.db2.gz YMICBWSKYAUKKS-UHFFFAOYSA-N 1 0 317.389 2.170 10 30 DEEERO C#CC[NH+]1CCC(NC(=O)c2ccc(Br)cc2)CC1 ZINC000586047063 791867184 /nfs/dbraw/zinc/86/71/84/791867184.db2.gz PSJWYPLFENASNM-UHFFFAOYSA-N 1 0 321.218 2.277 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000716827166 793008071 /nfs/dbraw/zinc/00/80/71/793008071.db2.gz DSADHDHUWANFKT-QLFBSQMISA-N 1 0 310.438 2.260 10 30 DEEERO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCCC[NH+]1CCCC1 ZINC000800196120 799337732 /nfs/dbraw/zinc/33/77/32/799337732.db2.gz ATDKEPOBUSBROD-KRWDZBQOSA-N 1 0 324.421 2.277 10 30 DEEERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ncc(Br)cc1C#N ZINC000720827605 1086176710 /nfs/dbraw/zinc/17/67/10/1086176710.db2.gz DPSAGUGTNNRYSW-QWHCGFSZSA-N 1 0 321.222 2.389 10 30 DEEERO C#CCC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000717886736 1091355669 /nfs/dbraw/zinc/35/56/69/1091355669.db2.gz JLAIKENPQZSFPI-IHRRRGAJSA-N 1 0 310.438 2.042 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000278509144 214199957 /nfs/dbraw/zinc/19/99/57/214199957.db2.gz AMAQVOXENUKENK-KRWDZBQOSA-N 1 0 300.377 2.207 10 30 DEEERO COc1ccc(C#CCCO)c(C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000087786919 185231821 /nfs/dbraw/zinc/23/18/21/185231821.db2.gz KUPGXWIQSVOFJV-MRXNPFEDSA-N 1 0 305.443 2.366 10 30 DEEERO C=CCN[C@H](C[NH3+])c1cc(OC)c(OC)cc1Br ZINC000087910424 185237421 /nfs/dbraw/zinc/23/74/21/185237421.db2.gz ATMZLCSCHLDXMP-LLVKDONJSA-N 1 0 315.211 2.242 10 30 DEEERO C=CCN[C@@H](C[NH3+])c1cc(OC)c(OC)cc1Br ZINC000087910425 185237477 /nfs/dbraw/zinc/23/74/77/185237477.db2.gz ATMZLCSCHLDXMP-NSHDSACASA-N 1 0 315.211 2.242 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000177331224 282272509 /nfs/dbraw/zinc/27/25/09/282272509.db2.gz SGMLFLOZWMXRKY-HNNXBMFYSA-N 1 0 308.385 2.030 10 30 DEEERO CCc1nc(CNC(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)=[NH+]C)cs1 ZINC000262760887 529735572 /nfs/dbraw/zinc/73/55/72/529735572.db2.gz DDWHTYNXGGGDHC-IACUBPJLSA-N 1 0 322.478 2.184 10 30 DEEERO C=C(C)C[N@@H+](CCc1cn(C)nn1)Cc1cnn(C(C)C)c1 ZINC000625423399 365777452 /nfs/dbraw/zinc/77/74/52/365777452.db2.gz NJELSCBLIQZKIP-UHFFFAOYSA-N 1 0 302.426 2.213 10 30 DEEERO CN1CCC(CNc2cccc(C#N)n2)([NH+]2CCCCC2)CC1 ZINC000301861465 530049536 /nfs/dbraw/zinc/04/95/36/530049536.db2.gz TZXMTTKOCDXPLI-UHFFFAOYSA-N 1 0 313.449 2.315 10 30 DEEERO Cc1cc(C(=O)N2CCS[C@H](C)[C@H]2C)sc1C#CC[NH3+] ZINC000133663313 186004649 /nfs/dbraw/zinc/00/46/49/186004649.db2.gz VWUIKBFTRQSLSP-VXGBXAGGSA-N 1 0 308.472 2.333 10 30 DEEERO C[C@@H]1C[NH2+]C[C@@H](COc2ccc(C(F)(F)F)c(C#N)c2)O1 ZINC000133839871 186013800 /nfs/dbraw/zinc/01/38/00/186013800.db2.gz KMLLVDOOVUFTGQ-SKDRFNHKSA-N 1 0 300.280 2.333 10 30 DEEERO CC[NH2+]Cc1cn(CC(=O)NCC#N)c2cc(Cl)ccc12 ZINC000164034748 186146428 /nfs/dbraw/zinc/14/64/28/186146428.db2.gz IXDKWTOHULJKCY-UHFFFAOYSA-N 1 0 304.781 2.044 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000164063517 186147522 /nfs/dbraw/zinc/14/75/22/186147522.db2.gz DSBUFKGLDVYELQ-HNNXBMFYSA-N 1 0 315.417 2.316 10 30 DEEERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000159568740 186127915 /nfs/dbraw/zinc/12/79/15/186127915.db2.gz YAWUMEQJZDCZAA-GOEBONIOSA-N 1 0 315.417 2.455 10 30 DEEERO C=CCC1([NH2+]CCn2nc3ccccn3c2=O)CCCCC1 ZINC000625936143 365963169 /nfs/dbraw/zinc/96/31/69/365963169.db2.gz BBHGZIIOODSCDF-UHFFFAOYSA-N 1 0 300.406 2.365 10 30 DEEERO CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)N1CCOCC1 ZINC000181871112 186212675 /nfs/dbraw/zinc/21/26/75/186212675.db2.gz VMEGQCAXXGZILU-YOEHRIQHSA-N 1 0 315.417 2.092 10 30 DEEERO CC#CCCCC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617704230 363227630 /nfs/dbraw/zinc/22/76/30/363227630.db2.gz ZDSZJOBNYSONMS-GOSISDBHSA-N 1 0 314.429 2.063 10 30 DEEERO C#CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000092105477 355619010 /nfs/dbraw/zinc/61/90/10/355619010.db2.gz PFAGMTXJXYXPAH-AEFFLSMTSA-N 1 0 312.413 2.189 10 30 DEEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(=O)NCc1ccco1 ZINC000595605360 358498553 /nfs/dbraw/zinc/49/85/53/358498553.db2.gz XCTUNKXMVIEFNW-ZFWWWQNUSA-N 1 0 319.405 2.330 10 30 DEEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000595603863 358498769 /nfs/dbraw/zinc/49/87/69/358498769.db2.gz PIZPXWRCQZDULZ-QWRGUYRKSA-N 1 0 321.343 2.099 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000130532189 355842891 /nfs/dbraw/zinc/84/28/91/355842891.db2.gz XEBWBKSBZOPJCL-UHFFFAOYSA-N 1 0 317.433 2.154 10 30 DEEERO CCC[NH+]1CCC(CNC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000157738276 355956351 /nfs/dbraw/zinc/95/63/51/355956351.db2.gz KQGAMMRZVGOKMF-UHFFFAOYSA-N 1 0 314.433 2.479 10 30 DEEERO C=CCCSCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000595058739 358384944 /nfs/dbraw/zinc/38/49/44/358384944.db2.gz KONOYIFCCUKIEI-GFCCVEGCSA-N 1 0 314.476 2.294 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000595297529 358415788 /nfs/dbraw/zinc/41/57/88/358415788.db2.gz VKQYIWNTJZGVNE-QGZVFWFLSA-N 1 0 321.421 2.284 10 30 DEEERO C=CC[C@]1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000595952881 358585971 /nfs/dbraw/zinc/58/59/71/358585971.db2.gz BULAQRWVABAQRO-MRXNPFEDSA-N 1 0 303.362 2.218 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000627415570 366521221 /nfs/dbraw/zinc/52/12/21/366521221.db2.gz SYXOCCQMPKAVJM-CYBMUJFWSA-N 1 0 317.433 2.041 10 30 DEEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@]1(OC)CCOC1 ZINC000602452755 360379644 /nfs/dbraw/zinc/37/96/44/360379644.db2.gz IISMWGHNPFVHKY-MRXNPFEDSA-N 1 0 306.362 2.388 10 30 DEEERO N#Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000194978174 201319913 /nfs/dbraw/zinc/31/99/13/201319913.db2.gz NLCOCZRKGOMMBP-UHFFFAOYSA-N 1 0 320.396 2.348 10 30 DEEERO Cc1sc(NC(=O)c2csc(CC[NH3+])n2)c(C#N)c1C ZINC000090952334 192963971 /nfs/dbraw/zinc/96/39/71/192963971.db2.gz PIAHVOUOIBSYJS-UHFFFAOYSA-N 1 0 306.416 2.447 10 30 DEEERO C=CC(C)(C)CC[NH2+]Cc1c(C)nn(C)c1N1CCOCC1 ZINC000623592353 365093064 /nfs/dbraw/zinc/09/30/64/365093064.db2.gz IUJQEKUSNYVPES-UHFFFAOYSA-N 1 0 306.454 2.257 10 30 DEEERO C=C(C)COCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000623768815 365168068 /nfs/dbraw/zinc/16/80/68/365168068.db2.gz AARXRYULRWFLIS-MRXNPFEDSA-N 1 0 309.454 2.285 10 30 DEEERO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000624265855 365362304 /nfs/dbraw/zinc/36/23/04/365362304.db2.gz AKKYCOBLSFSETN-JZXOWHBKSA-N 1 0 303.450 2.473 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(c2cccc(OCC[NH+](C)C)c2)C1=O ZINC000630501956 367692598 /nfs/dbraw/zinc/69/25/98/367692598.db2.gz DDYLRMSONGNCMI-OAHLLOKOSA-N 1 0 317.389 2.018 10 30 DEEERO C=C(C)CN(CC)S(=O)(=O)c1ccc(C[NH2+]C)cc1F ZINC000092115558 193163456 /nfs/dbraw/zinc/16/34/56/193163456.db2.gz PKKQOYSMFQRABD-UHFFFAOYSA-N 1 0 300.399 2.132 10 30 DEEERO COc1cc(F)ccc1NC(=O)c1csc(C#CC[NH3+])c1 ZINC000093976116 193332468 /nfs/dbraw/zinc/33/24/68/193332468.db2.gz FUQLDUYEJGKIKH-UHFFFAOYSA-N 1 0 304.346 2.458 10 30 DEEERO CC[C@H]1CO[C@@H](C)CN1C(=O)c1cc(C)c(C#CC[NH3+])s1 ZINC000094536391 193378148 /nfs/dbraw/zinc/37/81/48/193378148.db2.gz RIUTVNFPWGOTEE-STQMWFEESA-N 1 0 306.431 2.006 10 30 DEEERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(CCC#N)C2CC2)c1 ZINC000042549785 183284198 /nfs/dbraw/zinc/28/41/98/183284198.db2.gz BRCSAJUFMQLWSH-GFCCVEGCSA-N 1 0 307.419 2.034 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1ncccc1C#N ZINC000284543667 218071390 /nfs/dbraw/zinc/07/13/90/218071390.db2.gz FAHTVPBDFQSXKZ-DOTOQJQBSA-N 1 0 324.432 2.206 10 30 DEEERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC(C#N)CC1 ZINC000105170026 194081198 /nfs/dbraw/zinc/08/11/98/194081198.db2.gz JYWTZOXIXYOPFN-QGZVFWFLSA-N 1 0 314.433 2.104 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000106038379 194181684 /nfs/dbraw/zinc/18/16/84/194181684.db2.gz HSWYRSDLXTVDQC-UHFFFAOYSA-N 1 0 318.377 2.069 10 30 DEEERO C[NH+](C)CCN[C@@]1(C#N)CCc2cc(Br)ccc2C1 ZINC000110830021 194361900 /nfs/dbraw/zinc/36/19/00/194361900.db2.gz RHZXOVXSBMUOFQ-HNNXBMFYSA-N 1 0 322.250 2.351 10 30 DEEERO C=C(C)COc1ccccc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000066214114 184397309 /nfs/dbraw/zinc/39/73/09/184397309.db2.gz YMNNWRIGWFDJET-AWEZNQCLSA-N 1 0 304.390 2.349 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000066224300 184397840 /nfs/dbraw/zinc/39/78/40/184397840.db2.gz IZUGXSMLFGFAGH-UHFFFAOYSA-N 1 0 316.142 2.005 10 30 DEEERO CO[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1Cc1cnn(C)c1 ZINC000248159676 257106965 /nfs/dbraw/zinc/10/69/65/257106965.db2.gz WZVLFYWSAYOAGP-QZTJIDSGSA-N 1 0 310.401 2.124 10 30 DEEERO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cnn(C)c1)[C@@H]2CC ZINC000248157174 257107774 /nfs/dbraw/zinc/10/77/74/257107774.db2.gz VYBRSCNDPPEYLC-SJLPKXTDSA-N 1 0 316.449 2.342 10 30 DEEERO C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)Oc1ccc(Cl)cc1 ZINC000262697534 533360932 /nfs/dbraw/zinc/36/09/32/533360932.db2.gz FFUYGQUBBYAPRM-NWDGAFQWSA-N 1 0 311.813 2.143 10 30 DEEERO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000192727945 145077763 /nfs/dbraw/zinc/07/77/63/145077763.db2.gz ZKDVESXZZHVLEJ-GFCCVEGCSA-N 1 0 315.398 2.056 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000247303399 145132728 /nfs/dbraw/zinc/13/27/28/145132728.db2.gz HBLSATPLBSKVOD-OFQRWUPVSA-N 1 0 315.417 2.124 10 30 DEEERO C[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc(C#N)cc1F ZINC000358590211 147161656 /nfs/dbraw/zinc/16/16/56/147161656.db2.gz NKIZIJPNHYWOOK-ZDUSSCGKSA-N 1 0 305.397 2.459 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000127272232 401726785 /nfs/dbraw/zinc/72/67/85/401726785.db2.gz WDAVYZBGNKPHNB-ZDUSSCGKSA-N 1 0 304.390 2.036 10 30 DEEERO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)c1 ZINC000127478818 401737086 /nfs/dbraw/zinc/73/70/86/401737086.db2.gz WYEWOHQOVPKMPT-ROUUACIJSA-N 1 0 310.401 2.434 10 30 DEEERO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(F)c(F)c1 ZINC000126664499 401703409 /nfs/dbraw/zinc/70/34/09/401703409.db2.gz XUBBHIPTQJCXKV-GFCCVEGCSA-N 1 0 320.343 2.271 10 30 DEEERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000133842981 401895039 /nfs/dbraw/zinc/89/50/39/401895039.db2.gz FORVGCROAWDNNX-HOTGVXAUSA-N 1 0 300.406 2.425 10 30 DEEERO CCCC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000120787867 402002465 /nfs/dbraw/zinc/00/24/65/402002465.db2.gz ABZUEFAHNGQPDK-INIZCTEOSA-N 1 0 315.417 2.448 10 30 DEEERO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnc(C#N)cn1 ZINC000125974073 402259102 /nfs/dbraw/zinc/25/91/02/402259102.db2.gz YFXITEVMMRFLQV-MRXNPFEDSA-N 1 0 307.401 2.307 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000185055619 402321286 /nfs/dbraw/zinc/32/12/86/402321286.db2.gz ZZJVHJZPWVPAHI-OAHLLOKOSA-N 1 0 316.449 2.052 10 30 DEEERO C=CCC(CC=C)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000177111288 402371228 /nfs/dbraw/zinc/37/12/28/402371228.db2.gz IXSYDYQKETVWNG-OAHLLOKOSA-N 1 0 306.450 2.467 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000185214257 402334615 /nfs/dbraw/zinc/33/46/15/402334615.db2.gz QWFVCHFFZGXPHA-CQSZACIVSA-N 1 0 302.422 2.374 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1sccc1C#N ZINC000246102495 402509983 /nfs/dbraw/zinc/50/99/83/402509983.db2.gz OUWKQDFZVSWKNX-KBPBESRZSA-N 1 0 318.446 2.117 10 30 DEEERO CCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245406516 402457259 /nfs/dbraw/zinc/45/72/59/402457259.db2.gz XPDAZFITEXFMGB-NVXWUHKLSA-N 1 0 315.417 2.211 10 30 DEEERO C=CCOc1cccc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000245768172 402486879 /nfs/dbraw/zinc/48/68/79/402486879.db2.gz RDFBAXMEWIWGOX-CVEARBPZSA-N 1 0 304.434 2.138 10 30 DEEERO CO[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@@H]1C ZINC000189261606 402533054 /nfs/dbraw/zinc/53/30/54/402533054.db2.gz XTYCYLLUAFFIKE-GJZGRUSLSA-N 1 0 307.438 2.028 10 30 DEEERO C=CCC[C@H](O)C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000248659563 402602295 /nfs/dbraw/zinc/60/22/95/402602295.db2.gz VJPSATOPQMCSNT-MSOLQXFVSA-N 1 0 303.450 2.162 10 30 DEEERO C[C@H](NC(=O)c1cc(C#N)cn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180864628 402628110 /nfs/dbraw/zinc/62/81/10/402628110.db2.gz FFLGSHZQVCZYSR-ZFWWWQNUSA-N 1 0 314.433 2.280 10 30 DEEERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000181559096 402649912 /nfs/dbraw/zinc/64/99/12/402649912.db2.gz HDDBARRYIHFQBT-RDJZCZTQSA-N 1 0 317.433 2.086 10 30 DEEERO C=CC[C@H](CO)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000182920193 402727313 /nfs/dbraw/zinc/72/73/13/402727313.db2.gz MIZHNCHWAMIMQC-IAGOWNOFSA-N 1 0 317.433 2.060 10 30 DEEERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000182896819 402725092 /nfs/dbraw/zinc/72/50/92/402725092.db2.gz CAXFUZZBOXREHN-SUMWQHHRSA-N 1 0 309.369 2.208 10 30 DEEERO CC[C@@H](CC#N)NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000183907151 402804013 /nfs/dbraw/zinc/80/40/13/402804013.db2.gz KCGVPEOPTBVYOL-INIZCTEOSA-N 1 0 314.433 2.251 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000184274227 402831868 /nfs/dbraw/zinc/83/18/68/402831868.db2.gz BUWUMKSZDOSCQQ-UAGQMJEPSA-N 1 0 308.466 2.473 10 30 DEEERO C=C(C)CC[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000274816191 403090741 /nfs/dbraw/zinc/09/07/41/403090741.db2.gz WTARWIDCNNLGFO-CQSZACIVSA-N 1 0 308.426 2.251 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000288214907 403742181 /nfs/dbraw/zinc/74/21/81/403742181.db2.gz QNVSPNFXBQJTEY-ROUUACIJSA-N 1 0 313.445 2.214 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000288341419 403746851 /nfs/dbraw/zinc/74/68/51/403746851.db2.gz CXGGOLMBVPCRSU-NVXWUHKLSA-N 1 0 300.446 2.418 10 30 DEEERO COc1cccc(N2CC[C@@H](CNC(=[NH2+])NCCC(C)C)C2)c1 ZINC000303981780 403759012 /nfs/dbraw/zinc/75/90/12/403759012.db2.gz PORZCUMENIFSJK-HNNXBMFYSA-N 1 0 318.465 2.472 10 30 DEEERO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000347746104 403841068 /nfs/dbraw/zinc/84/10/68/403841068.db2.gz DUBPYUISXCKLPK-HYVNUMGLSA-N 1 0 317.433 2.058 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@H]2CCOC[C@H]2OCCOC)cc1 ZINC000362529826 403962347 /nfs/dbraw/zinc/96/23/47/403962347.db2.gz UEHTYOWRYNJXGC-ZWKOTPCHSA-N 1 0 321.417 2.162 10 30 DEEERO C=CCn1c(-c2ccccn2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000289854538 404004255 /nfs/dbraw/zinc/00/42/55/404004255.db2.gz YCWHEHGXBFLFIZ-CABCVRRESA-N 1 0 324.432 2.199 10 30 DEEERO C=C(C)CC[NH+]1CCN(Cc2nc([C@H](C)OCC)no2)CC1 ZINC000352011873 404075872 /nfs/dbraw/zinc/07/58/72/404075872.db2.gz CXKNHUQFJHFOPJ-AWEZNQCLSA-N 1 0 308.426 2.251 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1C ZINC000290140756 404056974 /nfs/dbraw/zinc/05/69/74/404056974.db2.gz GBHBDAGTJOPISR-CZUORRHYSA-N 1 0 322.416 2.027 10 30 DEEERO CC(=O)Nc1ccn([C@@H]2CC[N@H+](C[C@H](O)c3ccccc3)C2)n1 ZINC000328626158 404117611 /nfs/dbraw/zinc/11/76/11/404117611.db2.gz LKVRMAGNXILXNT-CVEARBPZSA-N 1 0 314.389 2.471 10 30 DEEERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(F)cc2n[nH]nc21 ZINC000328664469 404126515 /nfs/dbraw/zinc/12/65/15/404126515.db2.gz YOGIEVYOCLJOKH-UHFFFAOYSA-N 1 0 317.368 2.419 10 30 DEEERO C[N@@H+]1CCO[C@@H]2CCN(c3cc(C#N)c4ccccc4n3)C[C@H]21 ZINC000329000926 404195601 /nfs/dbraw/zinc/19/56/01/404195601.db2.gz VVOKPCOTSYQMGH-IAGOWNOFSA-N 1 0 308.385 2.016 10 30 DEEERO C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(C2CC2)CC1 ZINC000329028782 404207948 /nfs/dbraw/zinc/20/79/48/404207948.db2.gz KRGCMADZFUQGPC-CYBMUJFWSA-N 1 0 307.438 2.218 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000344770299 404359053 /nfs/dbraw/zinc/35/90/53/404359053.db2.gz NINDTHTWACZAMY-UHFFFAOYSA-N 1 0 315.461 2.229 10 30 DEEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000329631065 404402097 /nfs/dbraw/zinc/40/20/97/404402097.db2.gz ICPMBUJAJCTFDL-FRFSOERESA-N 1 0 304.438 2.194 10 30 DEEERO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330155394 404569238 /nfs/dbraw/zinc/56/92/38/404569238.db2.gz YGSKDGSFLLOHAK-HGTKMLMNSA-N 1 0 318.421 2.081 10 30 DEEERO Cn1cc(C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc1C#N ZINC000365347743 404626158 /nfs/dbraw/zinc/62/61/58/404626158.db2.gz UGNBGPVLMRNPTQ-IBGZPJMESA-N 1 0 309.413 2.466 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000414869887 404753409 /nfs/dbraw/zinc/75/34/09/404753409.db2.gz RUNRWOMPGFXBCY-UHFFFAOYSA-N 1 0 303.406 2.159 10 30 DEEERO C=C(C)Cn1c(CC2CC2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359248398 404788199 /nfs/dbraw/zinc/78/81/99/404788199.db2.gz BYOXFDWHXWBCJQ-INIZCTEOSA-N 1 0 315.465 2.480 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000415510651 404874326 /nfs/dbraw/zinc/87/43/26/404874326.db2.gz KOGZADWYGBOKPC-ZDUSSCGKSA-N 1 0 317.433 2.188 10 30 DEEERO CCOC(=O)[C@H]1C[N@H+](CCCCC(C)(C)C#N)CC12COC2 ZINC000451131235 404874419 /nfs/dbraw/zinc/87/44/19/404874419.db2.gz GXKAETKLHBCRKL-CQSZACIVSA-N 1 0 308.422 2.218 10 30 DEEERO C=CCOc1ccc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000451223459 404907749 /nfs/dbraw/zinc/90/77/49/404907749.db2.gz STSSZINATNGZFR-HDICACEKSA-N 1 0 302.418 2.204 10 30 DEEERO Cc1nsc(N2CC[NH+](C[C@H]3CCO[C@@H](C)C3)CC2)c1C#N ZINC000408212411 405141160 /nfs/dbraw/zinc/14/11/60/405141160.db2.gz WLWLFRFNVRFFMC-JSGCOSHPSA-N 1 0 320.462 2.260 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529307009 405755108 /nfs/dbraw/zinc/75/51/08/405755108.db2.gz OPTZVSLDAIAPIO-MRXNPFEDSA-N 1 0 315.417 2.335 10 30 DEEERO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1c1cccnc1 ZINC000583620160 405778365 /nfs/dbraw/zinc/77/83/65/405778365.db2.gz JOKUYTSNUNRJJL-AEFFLSMTSA-N 1 0 324.359 2.154 10 30 DEEERO C=CCNC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC000563368135 406060215 /nfs/dbraw/zinc/06/02/15/406060215.db2.gz LFDQPLQUKZZAIW-ZDUSSCGKSA-N 1 0 316.405 2.274 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CC(Cc3ccco3)C2)CC1 ZINC000636738915 406068155 /nfs/dbraw/zinc/06/81/55/406068155.db2.gz GICMQDLDMFNHPU-UHFFFAOYSA-N 1 0 303.406 2.114 10 30 DEEERO C=C1CC(C)(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000632375287 406112273 /nfs/dbraw/zinc/11/22/73/406112273.db2.gz PRYRHASBNJDPMO-KRWDZBQOSA-N 1 0 314.429 2.226 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000632627954 406206148 /nfs/dbraw/zinc/20/61/48/406206148.db2.gz QBDSBCHKILDKFX-UHFFFAOYSA-N 1 0 323.481 2.038 10 30 DEEERO C=CCCCCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000568193610 406209162 /nfs/dbraw/zinc/20/91/62/406209162.db2.gz OEUPEWSFORNQCV-SJORKVTESA-N 1 0 323.481 2.410 10 30 DEEERO C=CCOc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000632875725 406302628 /nfs/dbraw/zinc/30/26/28/406302628.db2.gz NCKQDMOKQFWMTL-DOTOQJQBSA-N 1 0 300.402 2.466 10 30 DEEERO C=C1CC(C)(C(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000633108282 406382425 /nfs/dbraw/zinc/38/24/25/406382425.db2.gz DTYGFEIJKLMWAO-UHFFFAOYSA-N 1 0 317.433 2.385 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000637620828 406368525 /nfs/dbraw/zinc/36/85/25/406368525.db2.gz IHWCPEYKFKHIDN-UHFFFAOYSA-N 1 0 323.481 2.485 10 30 DEEERO C#CCNC(=O)C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000491203629 406543504 /nfs/dbraw/zinc/54/35/04/406543504.db2.gz YDNDTDWWPRXHOT-UHFFFAOYSA-N 1 0 307.397 2.196 10 30 DEEERO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+](C2CC2)CC1 ZINC000574102367 406780031 /nfs/dbraw/zinc/78/00/31/406780031.db2.gz SINIKSAFJFIXSH-UHFFFAOYSA-N 1 0 324.432 2.119 10 30 DEEERO C[C@@H]([NH3+])c1cc(Br)ccc1N1CCO[C@H](C#N)C1 ZINC000129025693 196012976 /nfs/dbraw/zinc/01/29/76/196012976.db2.gz HBPDRBLRIMMDEB-MWLCHTKSSA-N 1 0 310.195 2.198 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000132448836 196256652 /nfs/dbraw/zinc/25/66/52/196256652.db2.gz VKMZYEPOJURDGE-GHMZBOCLSA-N 1 0 308.179 2.387 10 30 DEEERO [NH2+]=C(NCc1cc(Br)cs1)NC[C@@H]1CCCO1 ZINC000195522559 225206961 /nfs/dbraw/zinc/20/69/61/225206961.db2.gz GQERUGDXHFEMLC-VIFPVBQESA-N 1 0 318.240 2.094 10 30 DEEERO [NH2+]=C(NCc1c(F)cccc1N1CCCC1)NC[C@@H]1CCCO1 ZINC000262174764 225265823 /nfs/dbraw/zinc/26/58/23/225265823.db2.gz VUVPDPKOMNSBQY-ZDUSSCGKSA-N 1 0 320.412 2.009 10 30 DEEERO [NH2+]=C(NC[C@H]1CC12CC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000263133836 225292749 /nfs/dbraw/zinc/29/27/49/225292749.db2.gz NLLOWLBARKLKOD-CYBMUJFWSA-N 1 0 302.397 2.063 10 30 DEEERO [NH2+]=C(NCCc1cccs1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261613116 225252687 /nfs/dbraw/zinc/25/26/87/225252687.db2.gz GDMWCZUTLBNUOL-BFHYXJOUSA-N 1 0 305.447 2.153 10 30 DEEERO N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000333245704 226104235 /nfs/dbraw/zinc/10/42/35/226104235.db2.gz BRMYOGXKOWIUAA-GXFFZTMASA-N 1 0 302.353 2.285 10 30 DEEERO N#Cc1cc(Br)cnc1NCCC[NH+]1CCCC1 ZINC000336793671 424925965 /nfs/dbraw/zinc/92/59/65/424925965.db2.gz XXLUSHIATATIKG-UHFFFAOYSA-N 1 0 309.211 2.614 10 30 DEEERO C#CCOc1ccccc1C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000375076246 424891515 /nfs/dbraw/zinc/89/15/15/424891515.db2.gz XQVDDGJKXUYUIH-OAHLLOKOSA-N 1 0 322.412 2.450 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000297780375 275387710 /nfs/dbraw/zinc/38/77/10/275387710.db2.gz WVDZOJMUCCAVEI-CRAIPNDOSA-N 1 0 311.429 2.436 10 30 DEEERO CC(=O)c1ccc(C#N)cc1NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000302076760 275502292 /nfs/dbraw/zinc/50/22/92/275502292.db2.gz ADMBGDGZNTWIHG-MRXNPFEDSA-N 1 0 315.417 2.266 10 30 DEEERO C[C@@H]1c2ccccc2O[C@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000117767720 279139528 /nfs/dbraw/zinc/13/95/28/279139528.db2.gz RMKDAPAVXWILPM-RHSMWYFYSA-N 1 0 315.417 2.245 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000448951637 289125371 /nfs/dbraw/zinc/12/53/71/289125371.db2.gz CPXYKVJVZWMNMB-UHFFFAOYSA-N 1 0 302.422 2.233 10 30 DEEERO O=C(CN1CCC[C@@H]1c1ncc[nH]1)NC1CC[NH+](C2CC2)CC1 ZINC000329238031 295389543 /nfs/dbraw/zinc/38/95/43/295389543.db2.gz KUAPVRTVTMKQOV-OAHLLOKOSA-N 1 0 317.437 2.130 10 30 DEEERO C#CCCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1 ZINC000363414452 331901298 /nfs/dbraw/zinc/90/12/98/331901298.db2.gz NLCXBULVGCEFHY-LESCRADOSA-N 1 0 312.413 2.188 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@H](c2cccnc2)C2CC2)CC1 ZINC000536155864 335824909 /nfs/dbraw/zinc/82/49/09/335824909.db2.gz QMARMQRIWXCNEK-KRWDZBQOSA-N 1 0 314.433 2.482 10 30 DEEERO C=CCCCCCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000582794239 337171279 /nfs/dbraw/zinc/17/12/79/337171279.db2.gz GRIJZWSQRXMNTD-QGZVFWFLSA-N 1 0 323.481 2.487 10 30 DEEERO C[C@H]1C[C@@H]([NH2+]C2COC2)CN(c2ccc(C#N)c3ncccc23)C1 ZINC000584640768 337379918 /nfs/dbraw/zinc/37/99/18/337379918.db2.gz ULLJMMWMNOCMIB-DZGCQCFKSA-N 1 0 322.412 2.310 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000566673967 341564844 /nfs/dbraw/zinc/56/48/44/341564844.db2.gz JUNNVVQSRLPWDQ-GUTXKFCHSA-N 1 0 311.809 2.260 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCCc2nc(C(C)(C)C)cs2)CCO1 ZINC000262453445 533788930 /nfs/dbraw/zinc/78/89/30/533788930.db2.gz KJPPLNNGZINKNB-NSHDSACASA-N 1 0 310.467 2.019 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCc2csc(-c3ccccc3)n2)CCO1 ZINC000262306830 534271637 /nfs/dbraw/zinc/27/16/37/534271637.db2.gz ATKQJZGJIAIAQN-GFCCVEGCSA-N 1 0 316.430 2.346 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246306092 521718300 /nfs/dbraw/zinc/71/83/00/521718300.db2.gz AWEXUKLTLPXGEB-YOEHRIQHSA-N 1 0 314.433 2.430 10 30 DEEERO [NH2+]=C(NC[C@@H](O)c1cc2ccccc2s1)NC[C@@H]1CCCO1 ZINC000262397762 534834075 /nfs/dbraw/zinc/83/40/75/534834075.db2.gz NFCOLAUKNDKWBN-QWHCGFSZSA-N 1 0 319.430 2.018 10 30 DEEERO [NH2+]=C(NC[C@@H]1C[C@H]1C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000263135940 534834392 /nfs/dbraw/zinc/83/43/92/534834392.db2.gz NQADPHLTZDOUAW-YOEHRIQHSA-N 1 0 316.424 2.309 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](CC)[NH+](C)C ZINC000413259891 526347967 /nfs/dbraw/zinc/34/79/67/526347967.db2.gz GZRCJFYJTMKBNM-OAHLLOKOSA-N 1 0 305.378 2.450 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418392834 526348061 /nfs/dbraw/zinc/34/80/61/526348061.db2.gz ZXYNIYMBAHEJEC-CQSZACIVSA-N 1 0 318.377 2.044 10 30 DEEERO C[NH+]=C(NC[C@@H]1CCC[C@H]1O)NC1CCC(C(F)(F)F)CC1 ZINC000262792619 526372129 /nfs/dbraw/zinc/37/21/29/526372129.db2.gz OLHAMNBSUJMMNB-YWPUVAFDSA-N 1 0 321.387 2.434 10 30 DEEERO C[NH+]=C(NCc1ccnc(C)n1)N[C@H]1CCc2ccccc2C1 ZINC000262293901 526386494 /nfs/dbraw/zinc/38/64/94/526386494.db2.gz ZDNPWWNCPHFMRK-INIZCTEOSA-N 1 0 309.417 2.008 10 30 DEEERO C=CCNC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441248520 526527625 /nfs/dbraw/zinc/52/76/25/526527625.db2.gz VDVQCUZMMNSRDN-UONOGXRCSA-N 1 0 324.852 2.256 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000247699817 526632326 /nfs/dbraw/zinc/63/23/26/526632326.db2.gz XORIHKVIOMBSMS-XIRDDKMYSA-N 1 0 302.418 2.265 10 30 DEEERO C=C(C)Cn1c(CC2CC2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000338801160 526728674 /nfs/dbraw/zinc/72/86/74/526728674.db2.gz UEYMHZSZSCORDY-MRXNPFEDSA-N 1 0 315.465 2.481 10 30 DEEERO C=CCOCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000376840162 526780631 /nfs/dbraw/zinc/78/06/31/526780631.db2.gz BZFBYYYVICZMNO-MRXNPFEDSA-N 1 0 320.408 2.357 10 30 DEEERO C#CC[N@@H+](C)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000294514164 526829868 /nfs/dbraw/zinc/82/98/68/526829868.db2.gz IXJVVEZUVRPJJZ-CYBMUJFWSA-N 1 0 300.171 2.361 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)NCCN1CCc2ccccc21 ZINC000076736459 527192976 /nfs/dbraw/zinc/19/29/76/527192976.db2.gz MNXNJCSEXRKKEY-UHFFFAOYSA-N 1 0 301.434 2.063 10 30 DEEERO C=CCCOCCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000368580174 527345397 /nfs/dbraw/zinc/34/53/97/527345397.db2.gz LSJRMCWCUVPCPK-UHFFFAOYSA-N 1 0 317.433 2.315 10 30 DEEERO CC1(C)[C@H](NC(=[NH2+])NCCc2cccs2)[C@@H]2CCCO[C@H]21 ZINC000262532223 527851167 /nfs/dbraw/zinc/85/11/67/527851167.db2.gz NXMOZXLYAHDCIR-BFHYXJOUSA-N 1 0 307.463 2.399 10 30 DEEERO CC[NH+]=C(NCC1CCC(C(C)C)CC1)N[C@H]1CCC(=O)NC1 ZINC000261812357 528803558 /nfs/dbraw/zinc/80/35/58/528803558.db2.gz MTIFYZKRLPLRSQ-GPANFISMSA-N 1 0 322.497 2.283 10 30 DEEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)C[C@H]1CCOC1 ZINC000176101376 624625407 /nfs/dbraw/zinc/62/54/07/624625407.db2.gz CLZUIBUUDXARDW-OAHLLOKOSA-N 1 0 311.389 2.051 10 30 DEEERO COc1cccc(Oc2ccc(CNC(=[NH2+])NC3CC3)cn2)c1 ZINC000161519009 625108579 /nfs/dbraw/zinc/10/85/79/625108579.db2.gz KOBMGTMYFFXASM-UHFFFAOYSA-N 1 0 312.373 2.449 10 30 DEEERO C#CCOc1ccccc1CNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000734214199 633342158 /nfs/dbraw/zinc/34/21/58/633342158.db2.gz SXLDIGSSQAAMOG-OAHLLOKOSA-N 1 0 317.433 2.228 10 30 DEEERO CCC(=O)N1CCCC[C@H]1C(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC000121454412 650117311 /nfs/dbraw/zinc/11/73/11/650117311.db2.gz PRUJZSCDKIGACP-CVEARBPZSA-N 1 0 322.449 2.054 10 30 DEEERO COC(=O)CCC[NH+]1CCC(N=Nc2ccc(C)cn2)CC1 ZINC000727259768 637797699 /nfs/dbraw/zinc/79/76/99/637797699.db2.gz MFMQBFAPOZSPJH-UHFFFAOYSA-N 1 0 304.394 2.207 10 30 DEEERO COc1ccc(C[NH2+]Cc2cnc3c(c2)c(C)nn3C)cc1C#N ZINC000742368924 638064360 /nfs/dbraw/zinc/06/43/60/638064360.db2.gz RPLHOSQHLAIDTO-UHFFFAOYSA-N 1 0 321.384 2.447 10 30 DEEERO C=C(C)CNC(=[NH2+])NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000087002003 641273524 /nfs/dbraw/zinc/27/35/24/641273524.db2.gz WEEKXALIHIGMHS-HNNXBMFYSA-N 1 0 317.433 2.391 10 30 DEEERO C[NH+]=C(NCc1ccc(C)cc1OC[C@@H]1CCOC1)NC1CC1 ZINC000151195193 646289290 /nfs/dbraw/zinc/28/92/90/646289290.db2.gz PQBUYIXWSMLLHC-CQSZACIVSA-N 1 0 317.433 2.238 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc2c(c1)OCO2 ZINC000121390493 649420956 /nfs/dbraw/zinc/42/09/56/649420956.db2.gz ALHNUXUXUFSHPN-ZDUSSCGKSA-N 1 0 303.358 2.306 10 30 DEEERO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCC2(C)CCC2)CC1 ZINC000304785707 685261147 /nfs/dbraw/zinc/26/11/47/685261147.db2.gz IBBXPAKAGYVKNX-UHFFFAOYSA-N 1 0 310.442 2.044 10 30 DEEERO CCNC(NCc1cc2c(cc1OC(F)F)OCO2)=[NH+]CC ZINC000305020093 685264576 /nfs/dbraw/zinc/26/45/76/685264576.db2.gz NOBIHCPPLUQTLJ-UHFFFAOYSA-N 1 0 315.320 2.092 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NCCc1ccc(Cl)nc1 ZINC000305091171 685272853 /nfs/dbraw/zinc/27/28/53/685272853.db2.gz PSKAPSLLJKZKOC-UHFFFAOYSA-N 1 0 308.838 2.486 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1sc(COC)nc1C ZINC000134030292 684225193 /nfs/dbraw/zinc/22/51/93/684225193.db2.gz PKERXCXDVORSIY-GFCCVEGCSA-N 1 0 324.446 2.488 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000135264303 684233580 /nfs/dbraw/zinc/23/35/80/684233580.db2.gz WLAUEILDLQDXAF-ZDUSSCGKSA-N 1 0 320.368 2.334 10 30 DEEERO C#CC[N@@H+](CC(=O)NCCc1ccc(F)cc1)C1CCCC1 ZINC000155723691 684279079 /nfs/dbraw/zinc/27/90/79/684279079.db2.gz AXSFKSVUAPHERY-UHFFFAOYSA-N 1 0 302.393 2.362 10 30 DEEERO C[C@@H](OCCCNC(=[NH2+])NC[C@@H]1CCCO1)c1ccccc1 ZINC000195522034 685101356 /nfs/dbraw/zinc/10/13/56/685101356.db2.gz REUNOFUSVWYTES-ZBFHGGJFSA-N 1 0 305.422 2.238 10 30 DEEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000245543867 685114225 /nfs/dbraw/zinc/11/42/25/685114225.db2.gz RMDBXCSFUSUTLD-UMVBOHGHSA-N 1 0 301.390 2.063 10 30 DEEERO COc1cc(CNC(=[NH2+])NC2CCCCC2)cc(OC)c1O ZINC000303899491 685238628 /nfs/dbraw/zinc/23/86/28/685238628.db2.gz WEFLDFWXVKAUQW-UHFFFAOYSA-N 1 0 307.394 2.146 10 30 DEEERO COCCOc1cccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)c1 ZINC000303903435 685240357 /nfs/dbraw/zinc/24/03/57/685240357.db2.gz UKWQPKWBMZUPGN-CQSZACIVSA-N 1 0 305.422 2.258 10 30 DEEERO C#CCC[C@H](O)C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000717886734 1091355428 /nfs/dbraw/zinc/35/54/28/1091355428.db2.gz JLAIKENPQZSFPI-BFHYXJOUSA-N 1 0 310.438 2.042 10 30 DEEERO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H](C)c1cccc(Cl)c1 ZINC000074652042 185006471 /nfs/dbraw/zinc/00/64/71/185006471.db2.gz XJQIPWVTNNNETF-LBPRGKRZSA-N 1 0 324.856 2.433 10 30 DEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000076735956 185036991 /nfs/dbraw/zinc/03/69/91/185036991.db2.gz OIKVCMVSQPCXQY-CYBMUJFWSA-N 1 0 303.406 2.271 10 30 DEEERO CC(C)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC1CC1 ZINC000147447635 282103172 /nfs/dbraw/zinc/10/31/72/282103172.db2.gz OBZCFVYQTOMWBJ-UHFFFAOYSA-N 1 0 306.431 2.452 10 30 DEEERO COc1ccc(C#CC[NH3+])cc1CN(C)CCC(F)(F)F ZINC000088433447 185249779 /nfs/dbraw/zinc/24/97/79/185249779.db2.gz ZRIOVBGNTZBCKY-UHFFFAOYSA-N 1 0 300.324 2.390 10 30 DEEERO C[N@H+](CC#Cc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000191998361 529823039 /nfs/dbraw/zinc/82/30/39/529823039.db2.gz CLFOKWDVFQMIDL-GOSISDBHSA-N 1 0 306.413 2.429 10 30 DEEERO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCCO2)NC1CC1 ZINC000262182705 530039168 /nfs/dbraw/zinc/03/91/68/530039168.db2.gz WXASJFFTHYZTJG-UHFFFAOYSA-N 1 0 309.797 2.329 10 30 DEEERO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800515 365909430 /nfs/dbraw/zinc/90/94/30/365909430.db2.gz JSFXTZLIBRXHLN-MAUKXSAKSA-N 1 0 301.386 2.423 10 30 DEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000133667147 186005123 /nfs/dbraw/zinc/00/51/23/186005123.db2.gz UVNIVIZVSQDQCO-UONOGXRCSA-N 1 0 302.443 2.271 10 30 DEEERO Cc1ccc(C(=O)N2CCS[C@H](C)[C@@H]2C)cc1C#CC[NH3+] ZINC000133672053 186005544 /nfs/dbraw/zinc/00/55/44/186005544.db2.gz YGKXKXZIZLMPLV-UONOGXRCSA-N 1 0 302.443 2.271 10 30 DEEERO C[C@H]1SCC[N@H+](CCOc2ccc(C#CCO)cc2)[C@@H]1C ZINC000133783469 186012116 /nfs/dbraw/zinc/01/21/16/186012116.db2.gz VCCWVQREQYVYAR-HUUCEWRRSA-N 1 0 305.443 2.235 10 30 DEEERO [NH3+]CC#Cc1ccsc1CNC(=O)c1cccc(F)c1F ZINC000148634308 186045350 /nfs/dbraw/zinc/04/53/50/186045350.db2.gz VINFWBKHBZEAAB-UHFFFAOYSA-N 1 0 306.337 2.267 10 30 DEEERO [NH3+]CC#Cc1cc(NS(=O)(=O)C2CCCCC2)ccc1F ZINC000164413726 186158343 /nfs/dbraw/zinc/15/83/43/186158343.db2.gz BWGWZAUPKSTORI-UHFFFAOYSA-N 1 0 310.394 2.210 10 30 DEEERO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329161725 539914809 /nfs/dbraw/zinc/91/48/09/539914809.db2.gz ZESXWHRWCQTZFJ-ZFWWWQNUSA-N 1 0 307.438 2.218 10 30 DEEERO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000092188702 355619847 /nfs/dbraw/zinc/61/98/47/355619847.db2.gz YKSGEALYNZRRPG-MRXNPFEDSA-N 1 0 315.417 2.241 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@H](CC(C)C)C(=O)OC ZINC000595605078 358498804 /nfs/dbraw/zinc/49/88/04/358498804.db2.gz UYWGQFWOCJVGRE-OWCLPIDISA-N 1 0 324.465 2.415 10 30 DEEERO COC(=O)c1ccc(C[NH2+]CCOc2ccc(C#N)cc2)o1 ZINC000182481079 356128332 /nfs/dbraw/zinc/12/83/32/356128332.db2.gz BAIKQRXLMKOGCP-UHFFFAOYSA-N 1 0 300.314 2.106 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000182811672 356146737 /nfs/dbraw/zinc/14/67/37/356146737.db2.gz OGODLSPMRLPNLM-KRWDZBQOSA-N 1 0 317.433 2.019 10 30 DEEERO Cc1cc(N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)c(C#N)c(C)n1 ZINC000328651954 356466246 /nfs/dbraw/zinc/46/62/46/356466246.db2.gz WFEDVSAZBQEPBT-INIZCTEOSA-N 1 0 314.433 2.117 10 30 DEEERO C=CCOCCCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618525148 363515950 /nfs/dbraw/zinc/51/59/50/363515950.db2.gz BPXIUJSDYOBNRH-KRWDZBQOSA-N 1 0 302.418 2.217 10 30 DEEERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593373094 358063675 /nfs/dbraw/zinc/06/36/75/358063675.db2.gz AFLPCDBDPKBQGZ-SJCJKPOMSA-N 1 0 310.401 2.066 10 30 DEEERO C=CCCn1cc(C[NH2+]C2(CC(=O)OCC)CCCC2)nn1 ZINC000593981242 358183848 /nfs/dbraw/zinc/18/38/48/358183848.db2.gz ZYOKNBPBTPRFEP-UHFFFAOYSA-N 1 0 306.410 2.210 10 30 DEEERO N#C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000618792851 363604441 /nfs/dbraw/zinc/60/44/41/363604441.db2.gz KFNVOJCAAPCMMI-MRXNPFEDSA-N 1 0 301.365 2.381 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)[C@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000597169761 358842614 /nfs/dbraw/zinc/84/26/14/358842614.db2.gz XPEIZHURJSWXMH-OAHLLOKOSA-N 1 0 322.449 2.121 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@H]21 ZINC000599653440 359559508 /nfs/dbraw/zinc/55/95/08/359559508.db2.gz NYLGWIDAELKIBU-HRCADAONSA-N 1 0 322.449 2.075 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cccc(Br)c1OC ZINC000187360239 200101215 /nfs/dbraw/zinc/10/12/15/200101215.db2.gz LRTOCBFBNXNFEX-LLVKDONJSA-N 1 0 300.196 2.484 10 30 DEEERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2sccc2C#N)C1 ZINC000187897013 200173310 /nfs/dbraw/zinc/17/33/10/200173310.db2.gz IVDMPHSGFVSBCE-IAQYHMDHSA-N 1 0 307.419 2.041 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000189259779 200371296 /nfs/dbraw/zinc/37/12/96/200371296.db2.gz WJFGXSVZLWTAJX-GUYCJALGSA-N 1 0 304.390 2.302 10 30 DEEERO C=CCOCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602710455 360511413 /nfs/dbraw/zinc/51/14/13/360511413.db2.gz LWTKSYVMJDQWGG-UHFFFAOYSA-N 1 0 320.393 2.141 10 30 DEEERO N#C[C@@H]1CCCC[C@@H]1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602887008 360610342 /nfs/dbraw/zinc/61/03/42/360610342.db2.gz TZKDIMLJQNCNEW-FHWLQOOXSA-N 1 0 313.445 2.295 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610248024 361373128 /nfs/dbraw/zinc/37/31/28/361373128.db2.gz DLPZGIBWCCXFBN-BBRMVZONSA-N 1 0 323.400 2.277 10 30 DEEERO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000610197385 361366696 /nfs/dbraw/zinc/36/66/96/361366696.db2.gz GMJBFAPCVFQTLN-TZMCWYRMSA-N 1 0 319.355 2.172 10 30 DEEERO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1C ZINC000611225526 361554000 /nfs/dbraw/zinc/55/40/00/361554000.db2.gz UZYPGBOVEDQNBL-QWHCGFSZSA-N 1 0 318.396 2.321 10 30 DEEERO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC1CCC(C#N)CC1 ZINC000619669483 363850769 /nfs/dbraw/zinc/85/07/69/363850769.db2.gz JWISKAXLAXFBAG-GPANFISMSA-N 1 0 306.454 2.490 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000624469916 365433294 /nfs/dbraw/zinc/43/32/94/365433294.db2.gz FFQLAXMTJSQFAM-OAHLLOKOSA-N 1 0 311.470 2.245 10 30 DEEERO C=CC[C@H](Cc1ccccc1)n1cc(C[C@H]([NH3+])COC)nn1 ZINC000630591699 367745203 /nfs/dbraw/zinc/74/52/03/367745203.db2.gz FILIVWTWANWJOR-DOTOQJQBSA-N 1 0 300.406 2.154 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(C[C@@H](c2cccs2)[NH+](C)C)C1=O ZINC000630962676 367937575 /nfs/dbraw/zinc/93/75/75/367937575.db2.gz FNMRVPPXBXAFOV-RYUDHWBXSA-N 1 0 307.419 2.237 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000630966390 367940263 /nfs/dbraw/zinc/94/02/63/367940263.db2.gz XDINFIJPTJNOKI-CVEARBPZSA-N 1 0 313.401 2.148 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N([C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000630966395 367940529 /nfs/dbraw/zinc/94/05/29/367940529.db2.gz XDINFIJPTJNOKI-JKSUJKDBSA-N 1 0 313.401 2.148 10 30 DEEERO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000093523194 193262672 /nfs/dbraw/zinc/26/26/72/193262672.db2.gz QPOLDGYSMARTIB-LBPRGKRZSA-N 1 0 310.419 2.063 10 30 DEEERO Cc1cc(C(=O)N(C)Cc2cscn2)sc1C#CC[NH3+] ZINC000094536601 193378476 /nfs/dbraw/zinc/37/84/76/193378476.db2.gz KTSQAWDXMGZHOE-UHFFFAOYSA-N 1 0 305.428 2.095 10 30 DEEERO C=CCNC(=O)c1ccc(NCC[N@H+]2CCCC[C@H]2C)nc1 ZINC000264861906 204218205 /nfs/dbraw/zinc/21/82/05/204218205.db2.gz MGJJKNJKLBRCJX-CQSZACIVSA-N 1 0 302.422 2.284 10 30 DEEERO C#CC[C@H]([NH3+])C(=O)Nc1scc(C2CC2)c1C(=O)OCC ZINC000160181680 197391269 /nfs/dbraw/zinc/39/12/69/197391269.db2.gz KKHSRUIQMJKGRI-NSHDSACASA-N 1 0 306.387 2.091 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000454708120 246088144 /nfs/dbraw/zinc/08/81/44/246088144.db2.gz MFUGCOOVLOVVRN-FJBKBRRZSA-N 1 0 309.454 2.140 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000457369807 247766438 /nfs/dbraw/zinc/76/64/38/247766438.db2.gz NHHIDJRUTNPONH-DCGLDWPTSA-N 1 0 318.417 2.458 10 30 DEEERO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C#N)o2)cc1F ZINC000458285355 248250484 /nfs/dbraw/zinc/25/04/84/248250484.db2.gz ZZDISFAGZDODQZ-UHFFFAOYSA-N 1 0 317.320 2.483 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cc(O)c(OC)cc1Br ZINC000273534570 210849445 /nfs/dbraw/zinc/84/94/45/210849445.db2.gz VYAXJEQIVOKTLN-JTQLQIEISA-N 1 0 316.195 2.190 10 30 DEEERO CCCN(CC(=O)Nc1sccc1C#N)[C@H]1CCC[NH2+]C1 ZINC000110946458 194373379 /nfs/dbraw/zinc/37/33/79/194373379.db2.gz QPGRFRMGYLDGFA-ZDUSSCGKSA-N 1 0 306.435 2.022 10 30 DEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000120221859 195122003 /nfs/dbraw/zinc/12/20/03/195122003.db2.gz RESAVWDUYZPPHT-GDBMZVCRSA-N 1 0 317.433 2.418 10 30 DEEERO Cc1cc(C(=O)NC[C@@H]2CCCCS2)sc1C#CC[NH3+] ZINC000156567193 197124018 /nfs/dbraw/zinc/12/40/18/197124018.db2.gz KBGNVHQWNHQFEF-LBPRGKRZSA-N 1 0 308.472 2.382 10 30 DEEERO C[C@@H]([NH3+])c1ccc(Br)cc1-n1cnc(C#N)c1C#N ZINC000156220933 197096501 /nfs/dbraw/zinc/09/65/01/197096501.db2.gz CBJIXFDRBVVQNR-MRVPVSSYSA-N 1 0 316.162 2.398 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2c2ccnn2C)C1 ZINC000329398270 285262074 /nfs/dbraw/zinc/26/20/74/285262074.db2.gz YCOBAHKMWAPAJK-HOCLYGCPSA-N 1 0 319.453 2.345 10 30 DEEERO N#Cc1cccc2c1CN(C(=O)c1cn[nH]c1[C@@H]1CCCC[NH2+]1)C2 ZINC000685942587 542769098 /nfs/dbraw/zinc/76/90/98/542769098.db2.gz PIGGSUZKFJHOHX-INIZCTEOSA-N 1 0 321.384 2.252 10 30 DEEERO CC[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC[N@@H+]1CCOC ZINC000192001745 145069162 /nfs/dbraw/zinc/06/91/62/145069162.db2.gz SCONEITUPBMHEU-MRXNPFEDSA-N 1 0 305.397 2.240 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247382752 145135515 /nfs/dbraw/zinc/13/55/15/145135515.db2.gz LOXNJVLDYRRDOR-OFQRWUPVSA-N 1 0 315.417 2.267 10 30 DEEERO N#Cc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000374724207 148283136 /nfs/dbraw/zinc/28/31/36/148283136.db2.gz VBLIKGHQTFGZJD-SJORKVTESA-N 1 0 300.402 2.216 10 30 DEEERO Cc1ccncc1C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000375680387 148398819 /nfs/dbraw/zinc/39/88/19/148398819.db2.gz SBYGFEZKJHMWJS-UHFFFAOYSA-N 1 0 307.401 2.415 10 30 DEEERO C=CCCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000112255674 401734451 /nfs/dbraw/zinc/73/44/51/401734451.db2.gz LCLLIGGIQUNXAX-UHFFFAOYSA-N 1 0 315.417 2.417 10 30 DEEERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)c1 ZINC000127478688 401737238 /nfs/dbraw/zinc/73/72/38/401737238.db2.gz WYEWOHQOVPKMPT-MSOLQXFVSA-N 1 0 310.401 2.434 10 30 DEEERO C=CCC[C@@H](C[N@@H+]1CCCOCC1)Oc1cc(C#N)ccn1 ZINC000072421336 401709713 /nfs/dbraw/zinc/70/97/13/401709713.db2.gz BOAITMZBDVRQNZ-INIZCTEOSA-N 1 0 301.390 2.389 10 30 DEEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128226357 401767817 /nfs/dbraw/zinc/76/78/17/401767817.db2.gz LZIHAUFGJPJNCH-ZOBUZTSGSA-N 1 0 317.437 2.011 10 30 DEEERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000046279533 401968403 /nfs/dbraw/zinc/96/84/03/401968403.db2.gz NJDOWBCUVMXDAS-AWEZNQCLSA-N 1 0 302.422 2.430 10 30 DEEERO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1CCCO ZINC000052762886 402046121 /nfs/dbraw/zinc/04/61/21/402046121.db2.gz ISRCTRUONLJDOU-ZDUSSCGKSA-N 1 0 307.419 2.185 10 30 DEEERO CN(C)C(=O)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000151812284 402058176 /nfs/dbraw/zinc/05/81/76/402058176.db2.gz FYVPNGPHFIQCJU-UHFFFAOYSA-N 1 0 304.821 2.492 10 30 DEEERO CN(c1ncccc1C#N)C1CC[NH+](CCc2ccncc2)CC1 ZINC000069565973 402230790 /nfs/dbraw/zinc/23/07/90/402230790.db2.gz UOAHBEFIJHLWFR-UHFFFAOYSA-N 1 0 321.428 2.492 10 30 DEEERO CC[C@H]1CN(Cc2ccc(C#N)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000186207741 402410701 /nfs/dbraw/zinc/41/07/01/402410701.db2.gz ZYDULGCNQIWYOI-QAPCUYQASA-N 1 0 301.434 2.144 10 30 DEEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCCS2)c1 ZINC000163110708 402441584 /nfs/dbraw/zinc/44/15/84/402441584.db2.gz WMLCFAHRHCPHQJ-AWEZNQCLSA-N 1 0 324.471 2.207 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000246107881 402510685 /nfs/dbraw/zinc/51/06/85/402510685.db2.gz PIYTYVPLEJPKEW-SJORKVTESA-N 1 0 312.417 2.055 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1ccc(C#N)cc1 ZINC000247514434 402570859 /nfs/dbraw/zinc/57/08/59/402570859.db2.gz WCTHQZGANHKPRU-HIFRSBDPSA-N 1 0 315.442 2.345 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246385837 402528367 /nfs/dbraw/zinc/52/83/67/402528367.db2.gz JKZNSGKPAZMFIX-IPYPFGDCSA-N 1 0 313.401 2.067 10 30 DEEERO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193209018 402768812 /nfs/dbraw/zinc/76/88/12/402768812.db2.gz ZCBPIVQSVXMMJE-MRXNPFEDSA-N 1 0 306.369 2.086 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000184236973 402829656 /nfs/dbraw/zinc/82/96/56/402829656.db2.gz HRIOZLOHXYGUMQ-DLBZAZTESA-N 1 0 307.482 2.217 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000175824384 402835735 /nfs/dbraw/zinc/83/57/35/402835735.db2.gz MBVDMMUPUYDMKL-MRXNPFEDSA-N 1 0 314.364 2.069 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000175824364 402835939 /nfs/dbraw/zinc/83/59/39/402835939.db2.gz MBVDMMUPUYDMKL-INIZCTEOSA-N 1 0 314.364 2.069 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000273433665 403004437 /nfs/dbraw/zinc/00/44/37/403004437.db2.gz LOZQNNOXHQOHSP-ZBFHGGJFSA-N 1 0 320.433 2.131 10 30 DEEERO Cc1cc(C)c2ncc(C#N)c(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1 ZINC000301657483 403659670 /nfs/dbraw/zinc/65/96/70/403659670.db2.gz LKNJTLLFLLCBLW-IRXDYDNUSA-N 1 0 322.412 2.243 10 30 DEEERO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)C1=O ZINC000337167241 403969053 /nfs/dbraw/zinc/96/90/53/403969053.db2.gz ASNCVVRMDAOXCC-UKPHBRMFSA-N 1 0 300.402 2.097 10 30 DEEERO CSCCCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328615340 404115675 /nfs/dbraw/zinc/11/56/75/404115675.db2.gz ATPGIXVTRNTHHI-GJZGRUSLSA-N 1 0 322.478 2.331 10 30 DEEERO Cn1cncc1[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCS2)CCO1 ZINC000328615320 404115699 /nfs/dbraw/zinc/11/56/99/404115699.db2.gz ATIBRNDNAYJPNB-BZPMIXESSA-N 1 0 324.450 2.039 10 30 DEEERO CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@@H]1CCNC1=O ZINC000328818811 404156075 /nfs/dbraw/zinc/15/60/75/404156075.db2.gz HWGSNZOKRVDMFO-RRFJBIMHSA-N 1 0 316.405 2.006 10 30 DEEERO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@H]1c1ccccc1 ZINC000328881884 404166710 /nfs/dbraw/zinc/16/67/10/404166710.db2.gz LLFWDUWVHHKVBD-HYVNUMGLSA-N 1 0 317.433 2.050 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](Cc2cc(C)c(C)cc2C)CC1 ZINC000349750088 404186770 /nfs/dbraw/zinc/18/67/70/404186770.db2.gz UABXZAQSTFMJOI-UHFFFAOYSA-N 1 0 315.461 2.032 10 30 DEEERO C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000352251794 404246202 /nfs/dbraw/zinc/24/62/02/404246202.db2.gz RAECWLUHJCTFTR-PMPSAXMXSA-N 1 0 323.481 2.036 10 30 DEEERO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCCOC1 ZINC000329406636 404328483 /nfs/dbraw/zinc/32/84/83/404328483.db2.gz ZLWJKYORKVDFSG-BLNMRFBMSA-N 1 0 309.454 2.320 10 30 DEEERO C=CCOc1ccccc1C[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000355419471 404331410 /nfs/dbraw/zinc/33/14/10/404331410.db2.gz KPTBHIVDJZQGOE-UHFFFAOYSA-N 1 0 309.431 2.308 10 30 DEEERO O=C(N[C@@H]1CCCCC[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000329333583 404305725 /nfs/dbraw/zinc/30/57/25/404305725.db2.gz NOMLWGZADROXIK-OWCLPIDISA-N 1 0 310.438 2.280 10 30 DEEERO CC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC1=O ZINC000329656819 404410818 /nfs/dbraw/zinc/41/08/18/404410818.db2.gz MQRLNSZLMYXUIS-DZGCQCFKSA-N 1 0 307.438 2.361 10 30 DEEERO C=CCn1c(CC2CC2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000351072347 404510934 /nfs/dbraw/zinc/51/09/34/404510934.db2.gz GUBCDBUEIIKOMQ-HIFRSBDPSA-N 1 0 301.438 2.090 10 30 DEEERO C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)C1=CC[N@H+](C)CC1 ZINC000330204706 404586075 /nfs/dbraw/zinc/58/60/75/404586075.db2.gz CWZDZYRRQWJYES-XNRPHZJLSA-N 1 0 318.421 2.105 10 30 DEEERO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330205740 404586336 /nfs/dbraw/zinc/58/63/36/404586336.db2.gz DSJYFDJTYHGFQV-SQWLQELKSA-N 1 0 320.437 2.329 10 30 DEEERO C[C@H]1OCC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000330188142 404578691 /nfs/dbraw/zinc/57/86/91/404578691.db2.gz KWZWMDPYBWVCJA-FVQBIDKESA-N 1 0 309.454 2.465 10 30 DEEERO C#CCCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000366832418 404855002 /nfs/dbraw/zinc/85/50/02/404855002.db2.gz WZKUKYXJDWPVMP-UHFFFAOYSA-N 1 0 317.355 2.114 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]([NH3+])CC ZINC000415778011 404940217 /nfs/dbraw/zinc/94/02/17/404940217.db2.gz DYZVOTAJEDHYGD-AWEZNQCLSA-N 1 0 317.433 2.331 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000424173493 405030031 /nfs/dbraw/zinc/03/00/31/405030031.db2.gz QAIWLSBLKOJDAW-YJBOKZPZSA-N 1 0 301.434 2.227 10 30 DEEERO C=CCCC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397646932 405058609 /nfs/dbraw/zinc/05/86/09/405058609.db2.gz VMDFYOBFOWLDBV-UHFFFAOYSA-N 1 0 302.418 2.096 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000424934255 405215156 /nfs/dbraw/zinc/21/51/56/405215156.db2.gz UHORFQBUNWBTBT-BZSNNMDCSA-N 1 0 314.429 2.358 10 30 DEEERO C=C(CC)CNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000455529061 405422323 /nfs/dbraw/zinc/42/23/23/405422323.db2.gz XTLJBWBWBCRWEY-UHFFFAOYSA-N 1 0 322.497 2.202 10 30 DEEERO C=CCOc1ccc(C[N@@H+](CCOC)[C@H]2CCOC2)cc1OC ZINC000426513355 405366237 /nfs/dbraw/zinc/36/62/37/405366237.db2.gz HXGNVEZBKICASD-INIZCTEOSA-N 1 0 321.417 2.497 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527983550 405468990 /nfs/dbraw/zinc/46/89/90/405468990.db2.gz APQWKJRICDPLAY-BBWFWOEESA-N 1 0 321.465 2.426 10 30 DEEERO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527987053 405470046 /nfs/dbraw/zinc/47/00/46/405470046.db2.gz YTUXMDOSJVGPLL-OAGGEKHMSA-N 1 0 307.438 2.036 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000449549455 405608449 /nfs/dbraw/zinc/60/84/49/405608449.db2.gz YCNVUJAHZPXCKB-OCCSQVGLSA-N 1 0 304.415 2.423 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638644384 405589856 /nfs/dbraw/zinc/58/98/56/405589856.db2.gz PZYWLYPFDYPFCF-OLZOCXBDSA-N 1 0 304.390 2.130 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](CO)c1sccc1C ZINC000494629447 405730813 /nfs/dbraw/zinc/73/08/13/405730813.db2.gz GYNASALJBOEFAH-KBPBESRZSA-N 1 0 310.463 2.493 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000636539815 406003550 /nfs/dbraw/zinc/00/35/50/406003550.db2.gz BVOKLUADNAMFGC-HNNXBMFYSA-N 1 0 323.481 2.086 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000636785235 406081359 /nfs/dbraw/zinc/08/13/59/406081359.db2.gz GNWWXYYLEVBTBO-HNNXBMFYSA-N 1 0 323.481 2.086 10 30 DEEERO C=C1CC(C)(C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000632818891 406276166 /nfs/dbraw/zinc/27/61/66/406276166.db2.gz QQAUVCKKOAJZQR-UHFFFAOYSA-N 1 0 301.390 2.095 10 30 DEEERO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000633026017 406355906 /nfs/dbraw/zinc/35/59/06/406355906.db2.gz AAIOTANBDZBLNC-DLBZAZTESA-N 1 0 320.433 2.407 10 30 DEEERO C=CCCCS(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000489293717 406389098 /nfs/dbraw/zinc/38/90/98/406389098.db2.gz OGIAGAGVQRIABQ-HNNXBMFYSA-N 1 0 300.468 2.233 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000637621112 406368647 /nfs/dbraw/zinc/36/86/47/406368647.db2.gz JRFAEZXKSXYIJH-MRXNPFEDSA-N 1 0 323.481 2.219 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000572422501 406666414 /nfs/dbraw/zinc/66/64/14/406666414.db2.gz AMQBVKLBILZPCG-HZPDHXFCSA-N 1 0 323.481 2.180 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000572422502 406666746 /nfs/dbraw/zinc/66/67/46/406666746.db2.gz AMQBVKLBILZPCG-JKSUJKDBSA-N 1 0 323.481 2.180 10 30 DEEERO C=CCCCCCNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000572972971 406768448 /nfs/dbraw/zinc/76/84/48/406768448.db2.gz IVCGIVLEGZEDGD-UHFFFAOYSA-N 1 0 310.486 2.012 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NCCC(F)(F)F)cc1Cl ZINC000129144378 196022426 /nfs/dbraw/zinc/02/24/26/196022426.db2.gz DZIHUXBKOSYGIY-UHFFFAOYSA-N 1 0 304.699 2.332 10 30 DEEERO CC(C)CS(=O)(=O)Nc1ccc(Cl)cc1C#CC[NH3+] ZINC000132016330 196218672 /nfs/dbraw/zinc/21/86/72/196218672.db2.gz SJRSCKHVKQGGEY-UHFFFAOYSA-N 1 0 300.811 2.048 10 30 DEEERO [NH3+]CC#Cc1csc(Cn2c(=O)cccc2C(F)(F)F)c1 ZINC000132805350 196285260 /nfs/dbraw/zinc/28/52/60/196285260.db2.gz YQYDOAXSLYLUPX-UHFFFAOYSA-N 1 0 312.316 2.287 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NC[C@]1(O)CCc2ccccc21 ZINC000130933600 224636403 /nfs/dbraw/zinc/63/64/03/224636403.db2.gz YZVYFHVHJVTEBT-QGZVFWFLSA-N 1 0 315.442 2.029 10 30 DEEERO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCCO1 ZINC000193125283 225153509 /nfs/dbraw/zinc/15/35/09/225153509.db2.gz IKGZPTPDXPYKON-HOCLYGCPSA-N 1 0 301.390 2.090 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262340685 225268987 /nfs/dbraw/zinc/26/89/87/225268987.db2.gz CKRGDLYPOYVOQQ-OUJBWJOFSA-N 1 0 311.788 2.418 10 30 DEEERO Cc1c2ccccc2n(C)c1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262491630 225275390 /nfs/dbraw/zinc/27/53/90/225275390.db2.gz VDUOQKLJKHLUGM-GFCCVEGCSA-N 1 0 300.406 2.022 10 30 DEEERO CN(C(=[NH2+])NCc1cc(Br)cc2c1OCC2)C1CC1 ZINC000262695011 225282366 /nfs/dbraw/zinc/28/23/66/225282366.db2.gz XBPQBXJSMJUZBA-UHFFFAOYSA-N 1 0 324.222 2.293 10 30 DEEERO CCn1cc([C@@H]2OCC[C@H]2CNC(=[NH2+])N2CCC[C@H](C)C2)cn1 ZINC000263064890 225290540 /nfs/dbraw/zinc/29/05/40/225290540.db2.gz FZKODQBIJJCRPG-OFQRWUPVSA-N 1 0 319.453 2.027 10 30 DEEERO Cc1csc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000249857551 225245157 /nfs/dbraw/zinc/24/51/57/225245157.db2.gz DRAJZEMVNGYSAD-ZIAGYGMSSA-N 1 0 320.462 2.392 10 30 DEEERO O=C(C[C@@H]1CCOC1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000328845325 225804855 /nfs/dbraw/zinc/80/48/55/225804855.db2.gz ROFSLVNQDRJPQA-YESZJQIVSA-N 1 0 318.417 2.005 10 30 DEEERO O=C(CN1CCCCCC1=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330039039 225959994 /nfs/dbraw/zinc/95/99/94/225959994.db2.gz BPHSXOFWXGJKOJ-UHFFFAOYSA-N 1 0 307.438 2.362 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000333328380 226104979 /nfs/dbraw/zinc/10/49/79/226104979.db2.gz NWWJUVCTBOMZFU-YUTCNCBUSA-N 1 0 313.405 2.101 10 30 DEEERO C[NH+](C)C[C@H]1CCCN1c1ncc(Br)cc1C#N ZINC000297338208 227028203 /nfs/dbraw/zinc/02/82/03/227028203.db2.gz AQRDREOTNPGKIG-GFCCVEGCSA-N 1 0 309.211 2.246 10 30 DEEERO N#Cc1cccc(CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000530669948 421611641 /nfs/dbraw/zinc/61/16/41/421611641.db2.gz NNBNRMSUFKIBBV-UHFFFAOYSA-N 1 0 303.325 2.320 10 30 DEEERO Cc1cc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ncc1C#N ZINC000333793544 267319960 /nfs/dbraw/zinc/31/99/60/267319960.db2.gz YFIYFYQILIRUQU-INIZCTEOSA-N 1 0 312.417 2.352 10 30 DEEERO C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262780133 275732724 /nfs/dbraw/zinc/73/27/24/275732724.db2.gz KRDBOPSRNOCBBA-WDEREUQCSA-N 1 0 307.360 2.188 10 30 DEEERO C[NH+]=C(NCc1cn2c(n1)CCCC2)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261666802 275733998 /nfs/dbraw/zinc/73/39/98/275733998.db2.gz GLBMIUXGGBNRCT-GASCZTMLSA-N 1 0 315.465 2.417 10 30 DEEERO CC[NH+]1C[C@@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000408468197 279439886 /nfs/dbraw/zinc/43/98/86/279439886.db2.gz PTZQZJSYTXPFBP-HZPDHXFCSA-N 1 0 320.481 2.086 10 30 DEEERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330069622 295381367 /nfs/dbraw/zinc/38/13/67/295381367.db2.gz HJFSKKOLBHZYRE-BVIKNXMNSA-N 1 0 321.465 2.154 10 30 DEEERO COc1cc(CNC2=[NH+]CCN2C)ccc1OC1CCCC1 ZINC000262672466 533711845 /nfs/dbraw/zinc/71/18/45/533711845.db2.gz RTKMNLYGKHPZTE-UHFFFAOYSA-N 1 0 303.406 2.408 10 30 DEEERO C=CCNC(=O)[C@@H](C)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000159476494 332139746 /nfs/dbraw/zinc/13/97/46/332139746.db2.gz VPHSHSUVBVXIDS-HUUCEWRRSA-N 1 0 319.424 2.195 10 30 DEEERO C=CCNC(=O)[C@H](C)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000159476204 332139871 /nfs/dbraw/zinc/13/98/71/332139871.db2.gz VPHSHSUVBVXIDS-CABCVRRESA-N 1 0 319.424 2.195 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000569597408 332190893 /nfs/dbraw/zinc/19/08/93/332190893.db2.gz ZAISCEZKKVCRBM-JYJNAYRXSA-N 1 0 323.481 2.387 10 30 DEEERO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000560321535 332330735 /nfs/dbraw/zinc/33/07/35/332330735.db2.gz ZBYOHONLAKXINE-UAGQMJEPSA-N 1 0 305.418 2.483 10 30 DEEERO C=CCCC[C@@H](C)[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000521426594 333381161 /nfs/dbraw/zinc/38/11/61/333381161.db2.gz IVMMXKGVEDJSPN-KGLIPLIRSA-N 1 0 307.390 2.489 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000194037676 340588428 /nfs/dbraw/zinc/58/84/28/340588428.db2.gz LMIYWOMGHJMJHG-CYBMUJFWSA-N 1 0 302.340 2.133 10 30 DEEERO C=C[C@@](C)(CC)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000135149181 341232283 /nfs/dbraw/zinc/23/22/83/341232283.db2.gz HGPZMABAKIPVHZ-RZRMAFQFSA-N 1 0 319.493 2.358 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000566096296 341547496 /nfs/dbraw/zinc/54/74/96/341547496.db2.gz GYZSXKAJRZBAED-NOLJZWGESA-N 1 0 324.446 2.300 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418584932 526343884 /nfs/dbraw/zinc/34/38/84/526343884.db2.gz CUFBRLPVBYGYKR-YOEHRIQHSA-N 1 0 312.417 2.254 10 30 DEEERO C[NH+]=C(NCCC1CCOCC1)N(C)Cc1csc(C)n1 ZINC000261784612 526354419 /nfs/dbraw/zinc/35/44/19/526354419.db2.gz QJNHMFVFMBVCBB-UHFFFAOYSA-N 1 0 310.467 2.275 10 30 DEEERO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261868738 526379502 /nfs/dbraw/zinc/37/95/02/526379502.db2.gz ZLBUUHNVUNOTAM-HLLBOEOZSA-N 1 0 324.538 2.121 10 30 DEEERO C[NH+]=C(NCc1cc(F)cc(F)c1)N1CC[C@@]2(CCOC2)C1 ZINC000261661118 526381141 /nfs/dbraw/zinc/38/11/41/526381141.db2.gz ARJRVVZZTDLROV-MRXNPFEDSA-N 1 0 309.360 2.153 10 30 DEEERO C[NH+]=C(NCc1cccs1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261983560 526384834 /nfs/dbraw/zinc/38/48/34/526384834.db2.gz RPVZPKRMEVOXPA-UHFFFAOYSA-N 1 0 322.478 2.155 10 30 DEEERO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)C1=O ZINC000337139833 526508370 /nfs/dbraw/zinc/50/83/70/526508370.db2.gz QNBQNZPGHODIMD-GJZGRUSLSA-N 1 0 314.385 2.339 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504894 526542228 /nfs/dbraw/zinc/54/22/28/526542228.db2.gz NHIWTDAIKSEPLN-HNNXBMFYSA-N 1 0 318.465 2.413 10 30 DEEERO C=CCOCC[N@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000339006008 526770897 /nfs/dbraw/zinc/77/08/97/526770897.db2.gz MUSUNHJTDQNGGN-ZDUSSCGKSA-N 1 0 322.371 2.312 10 30 DEEERO C=CCOc1ccc(C[N@@H+](CCC)[C@@H]2CC(=O)N(C)C2=O)cc1 ZINC000338960972 526864360 /nfs/dbraw/zinc/86/43/60/526864360.db2.gz CUKXIGZDUNRBGZ-MRXNPFEDSA-N 1 0 316.401 2.221 10 30 DEEERO C=CCOc1cccc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000245753399 526902214 /nfs/dbraw/zinc/90/22/14/526902214.db2.gz OEBIOTCBFLGFHX-QFBILLFUSA-N 1 0 316.445 2.404 10 30 DEEERO C=CCc1cc(CN2CCC3(CC[NH2+]3)CC2)cc(OC)c1O ZINC000422562403 527236410 /nfs/dbraw/zinc/23/64/10/527236410.db2.gz PWRKYOWSBNDQDP-UHFFFAOYSA-N 1 0 302.418 2.457 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195508010 527632023 /nfs/dbraw/zinc/63/20/23/527632023.db2.gz GTXVMMYMTHXZJD-AWEZNQCLSA-N 1 0 302.422 2.178 10 30 DEEERO C=C[C@](C)(O)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000431610969 527634896 /nfs/dbraw/zinc/63/48/96/527634896.db2.gz SSKIARSMBBQFBP-SFHVURJKSA-N 1 0 302.418 2.226 10 30 DEEERO CCC[C@@H]1C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330172263 527816807 /nfs/dbraw/zinc/81/68/07/527816807.db2.gz GGVFJNVDUXXXPS-BVUBDWEXSA-N 1 0 309.454 2.056 10 30 DEEERO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1CCCCO1 ZINC000246318819 527892360 /nfs/dbraw/zinc/89/23/60/527892360.db2.gz HRDYITHFKUSUSL-NVXWUHKLSA-N 1 0 309.454 2.322 10 30 DEEERO CC[N@@H+]1C[C@H](C)N(C(=O)NCC2CCC(C#N)CC2)C[C@H]1C ZINC000441000871 527967160 /nfs/dbraw/zinc/96/71/60/527967160.db2.gz RBMNGNRMDDBIGQ-QVOMUQBLSA-N 1 0 306.454 2.440 10 30 DEEERO C=C(Br)C[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186321044 634135155 /nfs/dbraw/zinc/13/51/55/634135155.db2.gz UFFVIGDKAHEREP-NEPJUHHUSA-N 1 0 304.228 2.459 10 30 DEEERO COc1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1C#N ZINC000747443427 638437828 /nfs/dbraw/zinc/43/78/28/638437828.db2.gz HDPLLEWHXAMSTR-CHWSQXEVSA-N 1 0 301.390 2.056 10 30 DEEERO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000173794393 646779883 /nfs/dbraw/zinc/77/98/83/646779883.db2.gz GROMGOHYTYFRRL-CQSZACIVSA-N 1 0 319.380 2.444 10 30 DEEERO C#CC[NH+](CC#C)CCCCCn1nnc(-c2ccccc2)n1 ZINC000174524314 646813569 /nfs/dbraw/zinc/81/35/69/646813569.db2.gz RYJVGHKCCAEPEB-UHFFFAOYSA-N 1 0 307.401 2.079 10 30 DEEERO CN(C)C(NCc1ccccc1)=[NH+]CCC(=O)OC(C)(C)C ZINC000304762234 685260787 /nfs/dbraw/zinc/26/07/87/685260787.db2.gz VKSCQKSTFDGZCL-UHFFFAOYSA-N 1 0 305.422 2.426 10 30 DEEERO CC(C)c1cccc(NC(=[NH2+])NC[C@@]2(CCO)CCOC2)c1 ZINC000126140615 684151705 /nfs/dbraw/zinc/15/17/05/684151705.db2.gz MRMANPZSNXJVHU-QGZVFWFLSA-N 1 0 305.422 2.326 10 30 DEEERO [NH2+]=C(NC[C@@]1(CCO)CCOC1)Nc1cccc2c1CCCC2 ZINC000126141237 684151807 /nfs/dbraw/zinc/15/18/07/684151807.db2.gz RAFCTOLCXGEGNF-GOSISDBHSA-N 1 0 317.433 2.081 10 30 DEEERO [NH2+]=C(NCc1cccc(-c2ccccn2)c1)NC[C@H]1CCCO1 ZINC000158582679 684301242 /nfs/dbraw/zinc/30/12/42/684301242.db2.gz IDFGPFHQNXYAAO-MRXNPFEDSA-N 1 0 310.401 2.332 10 30 DEEERO C#CCN(CC(O)C[N@H+](CC#C)C1CCCC1)C1CCCC1 ZINC000194635498 685072933 /nfs/dbraw/zinc/07/29/33/685072933.db2.gz XYBXGQQHBHUNJA-UHFFFAOYSA-N 1 0 302.462 2.103 10 30 DEEERO CCC(CC)[C@@H](CNC(=[NH2+])NC1CCCCC1)N1CCOCC1 ZINC000303771956 685232887 /nfs/dbraw/zinc/23/28/87/685232887.db2.gz DCOCZDBJZHITRL-QGZVFWFLSA-N 1 0 324.513 2.360 10 30 DEEERO CC(=O)Nc1cccc(CNC(=[NH2+])NCCc2cccs2)c1 ZINC000303771792 685233223 /nfs/dbraw/zinc/23/32/23/685233223.db2.gz CXWCAMWDMYEAFG-UHFFFAOYSA-N 1 0 316.430 2.354 10 30 DEEERO COC(=O)c1ccc(CNC(=[NH2+])Nc2cccc(OC)c2)cc1 ZINC000303713458 685233524 /nfs/dbraw/zinc/23/35/24/685233524.db2.gz QSCPUCUIDPZRDT-UHFFFAOYSA-N 1 0 313.357 2.409 10 30 DEEERO CN(C)[C@@H](CNC(=[NH2+])NC1CCCCC1)Cc1ccccc1 ZINC000303779375 685234071 /nfs/dbraw/zinc/23/40/71/685234071.db2.gz KLSQLWWIYMSFFB-QGZVFWFLSA-N 1 0 302.466 2.396 10 30 DEEERO CC(C)c1noc(CCCNC(=[NH2+])NCCc2ccccc2)n1 ZINC000303863966 685235528 /nfs/dbraw/zinc/23/55/28/685235528.db2.gz ATDPTYZWUUPSIP-UHFFFAOYSA-N 1 0 315.421 2.273 10 30 DEEERO CCOC(=O)N[C@H](CNC(=[NH2+])NC1CCCCC1)CC(C)C ZINC000303888418 685237315 /nfs/dbraw/zinc/23/73/15/685237315.db2.gz OYFINYJGWXDYLF-AWEZNQCLSA-N 1 0 312.458 2.384 10 30 DEEERO COc1cccc(CNC(=[NH2+])NCCc2cccs2)c1O ZINC000303973152 685241173 /nfs/dbraw/zinc/24/11/73/685241173.db2.gz GRZGHNIAQKLXAQ-UHFFFAOYSA-N 1 0 305.403 2.109 10 30 DEEERO CO[C@@H]1CCN([C@H]2CCC[C@H]2[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC000886082473 691999835 /nfs/dbraw/zinc/99/98/35/691999835.db2.gz DIPHBNBKEWOPSF-NXHRZFHOSA-N 1 0 317.408 2.429 10 30 DEEERO N#Cc1sc(N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)nc1Cl ZINC000716990767 798346845 /nfs/dbraw/zinc/34/68/45/798346845.db2.gz WYQTVJSTYJAATB-PHDIDXHHSA-N 1 0 310.732 2.384 10 30 DEEERO C=CCOc1ccc(C[NH2+]CCC(=O)NC(C)C)cc1OC ZINC000078892984 1080720151 /nfs/dbraw/zinc/72/01/51/1080720151.db2.gz SZBGRTMGAVDGMZ-UHFFFAOYSA-N 1 0 306.406 2.264 10 30 DEEERO C=CC[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000074767902 185016653 /nfs/dbraw/zinc/01/66/53/185016653.db2.gz PPZRMGIOIGZMHW-INIZCTEOSA-N 1 0 322.497 2.201 10 30 DEEERO C=CC[C@@H]([NH3+])C(=O)NCc1cc(Br)ccc1F ZINC000162591137 197576763 /nfs/dbraw/zinc/57/67/63/197576763.db2.gz NAXUCGWFNGUJAV-LLVKDONJSA-N 1 0 301.159 2.108 10 30 DEEERO C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)C[NH+]1CCCC1 ZINC000078965077 185136251 /nfs/dbraw/zinc/13/62/51/185136251.db2.gz HCZKVLQHFKCYHL-HUUCEWRRSA-N 1 0 315.417 2.174 10 30 DEEERO COc1ccc(C#CCO)c(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1 ZINC000087787319 185231879 /nfs/dbraw/zinc/23/18/79/185231879.db2.gz KDUNHOUMFYHIFJ-ZIAGYGMSSA-N 1 0 305.443 2.365 10 30 DEEERO C=C(C)CN(CC)S(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088543390 185256111 /nfs/dbraw/zinc/25/61/11/185256111.db2.gz MXBDLINBOCNNQN-UHFFFAOYSA-N 1 0 300.424 2.364 10 30 DEEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000615479700 362617959 /nfs/dbraw/zinc/61/79/59/362617959.db2.gz HWFYBIQDTQBMSZ-DLBZAZTESA-N 1 0 323.481 2.084 10 30 DEEERO CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1CC#CCOC ZINC000616797425 362935689 /nfs/dbraw/zinc/93/56/89/362935689.db2.gz WMIDDOIXOMOGTP-IBGZPJMESA-N 1 0 315.413 2.277 10 30 DEEERO C[C@@H](Cc1cccs1)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000071273696 190951693 /nfs/dbraw/zinc/95/16/93/190951693.db2.gz DTUONNCNZDSEAW-NSHDSACASA-N 1 0 304.440 2.481 10 30 DEEERO C=CCC[C@@H](C[N@@H+]1CCCOCC1)Oc1ncc(CC)cn1 ZINC000072423784 191158187 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N#Cc1nc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)ccc1Cl ZINC000085689379 355495206 /nfs/dbraw/zinc/49/52/06/355495206.db2.gz BOYKYJHSFQNUCI-QWHCGFSZSA-N 1 0 320.824 2.032 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000092188287 355619892 /nfs/dbraw/zinc/61/98/92/355619892.db2.gz AJDUECOMFYKTQJ-MRXNPFEDSA-N 1 0 315.417 2.241 10 30 DEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000595602019 358497885 /nfs/dbraw/zinc/49/78/85/358497885.db2.gz FROIDMLZRNIWBE-UKRRQHHQSA-N 1 0 307.438 2.479 10 30 DEEERO N#C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CC1 ZINC000108829154 355738505 /nfs/dbraw/zinc/73/85/05/355738505.db2.gz CVJNABGFEFORRI-WBVHZDCISA-N 1 0 315.392 2.456 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCCC12CCCCC2 ZINC000595604929 358498405 /nfs/dbraw/zinc/49/84/05/358498405.db2.gz OYRJXPCAKMMISS-KGLIPLIRSA-N 1 0 307.438 2.479 10 30 DEEERO C=CCNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000182126791 356110570 /nfs/dbraw/zinc/11/05/70/356110570.db2.gz AXYNUOMTZWXDTQ-DLBZAZTESA-N 1 0 315.417 2.458 10 30 DEEERO C[C@H](CC[NH2+]Cc1nc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000386167822 356694009 /nfs/dbraw/zinc/69/40/09/356694009.db2.gz XYXQJXZKFTXVLG-SNVBAGLBSA-N 1 0 310.423 2.408 10 30 DEEERO C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000626844034 366344731 /nfs/dbraw/zinc/34/47/31/366344731.db2.gz FJUUZRDIGJAFSV-OLZOCXBDSA-N 1 0 301.390 2.069 10 30 DEEERO C=C[C@@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000397890205 356719247 /nfs/dbraw/zinc/71/92/47/356719247.db2.gz FWEKQIMGAHXLKM-SJLPKXTDSA-N 1 0 302.418 2.358 10 30 DEEERO Cn1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)c2cc(F)ccc21 ZINC000581645433 357220717 /nfs/dbraw/zinc/22/07/17/357220717.db2.gz AXBZHTRUKSIKIZ-UHFFFAOYSA-N 1 0 314.364 2.035 10 30 DEEERO COc1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)CC2)cc1C#N ZINC000585789577 357356915 /nfs/dbraw/zinc/35/69/15/357356915.db2.gz UIXNXRYGLREROU-ZDUSSCGKSA-N 1 0 301.390 2.044 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626974830 366386339 /nfs/dbraw/zinc/38/63/39/366386339.db2.gz LQMVLDVETDIHJP-DZGCQCFKSA-N 1 0 303.406 2.191 10 30 DEEERO C=CC[C@]1(C(=O)NCc2ccc(C(=O)OCC)cc2)CCC[NH2+]1 ZINC000595930000 358582523 /nfs/dbraw/zinc/58/25/23/358582523.db2.gz WTTNQPPYEXHGEV-GOSISDBHSA-N 1 0 316.401 2.178 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000627413203 366519552 /nfs/dbraw/zinc/51/95/52/366519552.db2.gz DAWPZZDXNRGLDC-UHFFFAOYSA-N 1 0 323.481 2.134 10 30 DEEERO C=CC[N@@H+](CCc1ccco1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599366446 359479367 /nfs/dbraw/zinc/47/93/67/359479367.db2.gz QLYUUWLYFILSHC-INIZCTEOSA-N 1 0 318.417 2.381 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1 ZINC000599526749 359516497 /nfs/dbraw/zinc/51/64/97/359516497.db2.gz RFVMTIWOCRXXJZ-ZDUSSCGKSA-N 1 0 304.390 2.499 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)C1 ZINC000599526824 359517902 /nfs/dbraw/zinc/51/79/02/359517902.db2.gz UNKYKNSAWWICSZ-CYBMUJFWSA-N 1 0 317.389 2.241 10 30 DEEERO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609252746 361291306 /nfs/dbraw/zinc/29/13/06/361291306.db2.gz JOSCEJCCHUVXOQ-AWEZNQCLSA-N 1 0 318.396 2.228 10 30 DEEERO C[NH+]1CCC(C#N)(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000610197383 361367312 /nfs/dbraw/zinc/36/73/12/361367312.db2.gz GMJBFAPCVFQTLN-JSGCOSHPSA-N 1 0 319.355 2.172 10 30 DEEERO CO[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000619426049 363789447 /nfs/dbraw/zinc/78/94/47/363789447.db2.gz PSDUVESHZIGQDY-DLBZAZTESA-N 1 0 314.433 2.469 10 30 DEEERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(C#N)s2)cn1 ZINC000275441026 212334855 /nfs/dbraw/zinc/33/48/55/212334855.db2.gz FWRNUPMRSCSKFZ-LSDHHAIUSA-N 1 0 302.403 2.363 10 30 DEEERO C=CC[C@H]1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000623403905 365017188 /nfs/dbraw/zinc/01/71/88/365017188.db2.gz KXYVOQZOIWLIGQ-XHSDSOJGSA-N 1 0 309.454 2.093 10 30 DEEERO C=CCC[C@H](CC)[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624115306 365293720 /nfs/dbraw/zinc/29/37/20/365293720.db2.gz SACBKMNLQOYXJK-UONOGXRCSA-N 1 0 300.410 2.037 10 30 DEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)N1CCCCCC1 ZINC000091971836 193133727 /nfs/dbraw/zinc/13/37/27/193133727.db2.gz CPDQRPFWQLTFMJ-UHFFFAOYSA-N 1 0 305.447 2.486 10 30 DEEERO C=CCN(C)C(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1 ZINC000624587539 365481546 /nfs/dbraw/zinc/48/15/46/365481546.db2.gz NKHURVYTGIZCAW-OAHLLOKOSA-N 1 0 303.406 2.097 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000450740330 242171153 /nfs/dbraw/zinc/17/11/53/242171153.db2.gz UUIHQKYGLOHMCY-CVEARBPZSA-N 1 0 306.450 2.372 10 30 DEEERO C=C1CC(C)(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000630723343 367813422 /nfs/dbraw/zinc/81/34/22/367813422.db2.gz MBWWFLQYLBPJMN-UHFFFAOYSA-N 1 0 315.417 2.273 10 30 DEEERO C=CCOc1ccccc1C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451218206 242721630 /nfs/dbraw/zinc/72/16/30/242721630.db2.gz AODDIZANJQMEBF-CALCHBBNSA-N 1 0 302.418 2.204 10 30 DEEERO C=CCCn1cc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)nn1 ZINC000631236498 368095999 /nfs/dbraw/zinc/09/59/99/368095999.db2.gz FHSUFSPTNCOHRM-KRWDZBQOSA-N 1 0 318.396 2.077 10 30 DEEERO C=C1CC(C)(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000631528974 368270156 /nfs/dbraw/zinc/27/01/56/368270156.db2.gz CPKSIQGZFMZWMA-UHFFFAOYSA-N 1 0 319.493 2.409 10 30 DEEERO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@H]1CCCO1 ZINC000193126565 296143154 /nfs/dbraw/zinc/14/31/54/296143154.db2.gz OHVHMGWDWSFYKI-HLLBOEOZSA-N 1 0 315.417 2.479 10 30 DEEERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCO[C@H](C#N)C1 ZINC000093930598 193329721 /nfs/dbraw/zinc/32/97/21/193329721.db2.gz XICOLOVQCBYDAB-ZLKJLUDKSA-N 1 0 324.222 2.062 10 30 DEEERO Cc1cnc(C(=O)Nc2ccc(Cl)c(C#CC[NH3+])c2)cn1 ZINC000094671684 193391216 /nfs/dbraw/zinc/39/12/16/193391216.db2.gz BVJWQLPBCBLXPY-UHFFFAOYSA-N 1 0 300.749 2.001 10 30 DEEERO OCCC#Cc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000094440996 193369487 /nfs/dbraw/zinc/36/94/87/193369487.db2.gz BIRMUJHZTXXHER-OAHLLOKOSA-N 1 0 304.459 2.152 10 30 DEEERO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(C#N)cc1F ZINC000453285952 245056708 /nfs/dbraw/zinc/05/67/08/245056708.db2.gz IFFCSSMZONBNFK-UKRRQHHQSA-N 1 0 305.397 2.195 10 30 DEEERO C#CC[C@H]([NH3+])C(=O)Nc1sc(C)c(CC)c1C(=O)OCC ZINC000160186605 197392189 /nfs/dbraw/zinc/39/21/89/197392189.db2.gz CRZBDLKCTCSFDY-NSHDSACASA-N 1 0 308.403 2.085 10 30 DEEERO C[N@H+](Cc1ccc(C#N)cc1)C1CCN(CCn2cccn2)CC1 ZINC000105863073 194150678 /nfs/dbraw/zinc/15/06/78/194150678.db2.gz DTLQMKNSRAEGGZ-UHFFFAOYSA-N 1 0 323.444 2.351 10 30 DEEERO CC[C@H]1CN(Cc2cc(C#N)ccc2F)CC[N@@H+]1CCOC ZINC000106114739 194187431 /nfs/dbraw/zinc/18/74/31/194187431.db2.gz CMYRMKXMMBARNT-INIZCTEOSA-N 1 0 305.397 2.240 10 30 DEEERO CC[C@H]1CN(Cc2ccc(C#N)cc2F)CC[N@@H+]1CCOC ZINC000106114743 194188290 /nfs/dbraw/zinc/18/82/90/194188290.db2.gz OBXPBHULSBYHFC-INIZCTEOSA-N 1 0 305.397 2.240 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000106110472 194188458 /nfs/dbraw/zinc/18/84/58/194188458.db2.gz UUYKQSZQGZIBJJ-AWEZNQCLSA-N 1 0 305.397 2.240 10 30 DEEERO CC(C)(C)S(=O)(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000111073332 194389159 /nfs/dbraw/zinc/38/91/59/194389159.db2.gz NGZNFDOTPLOILO-UHFFFAOYSA-N 1 0 300.811 2.190 10 30 DEEERO C[C@@H](NS(=O)(=O)c1ccccc1C#CC[NH3+])c1ccsc1 ZINC000061372096 184169711 /nfs/dbraw/zinc/16/97/11/184169711.db2.gz IHCQCXIMZKHUIW-GFCCVEGCSA-N 1 0 320.439 2.098 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)Nc2ccc(Cl)c(F)c2)nc1 ZINC000061872363 184190407 /nfs/dbraw/zinc/19/04/07/184190407.db2.gz DOASZRWKMXEYOV-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO COCC[NH2+]Cc1ccc(O[C@H](C)C#N)c(Br)c1 ZINC000062728475 184250522 /nfs/dbraw/zinc/25/05/22/184250522.db2.gz PERWVVVTXWXUIC-SNVBAGLBSA-N 1 0 313.195 2.476 10 30 DEEERO CCC(C)(C)N(C)S(=O)(=O)c1ccc(C)cc1C#CC[NH3+] ZINC000069462557 184517417 /nfs/dbraw/zinc/51/74/17/184517417.db2.gz BSAHEUWZTFELAX-UHFFFAOYSA-N 1 0 308.447 2.114 10 30 DEEERO N#Cc1ccc(OCC[C@@H]2CO[C@@H]3C[N@@H+](C4CCC4)C[C@H]23)nc1 ZINC000247755768 257118162 /nfs/dbraw/zinc/11/81/62/257118162.db2.gz WCWQZVSUXNOVJD-DJIMGWMZSA-N 1 0 313.401 2.221 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000247810572 145144698 /nfs/dbraw/zinc/14/46/98/145144698.db2.gz UUYKQSZQGZIBJJ-CQSZACIVSA-N 1 0 305.397 2.240 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccccc2C#N)[C@H](C)C1 ZINC000076485473 401796674 /nfs/dbraw/zinc/79/66/74/401796674.db2.gz CDVLQYFXAZLXDU-ZBFHGGJFSA-N 1 0 315.417 2.126 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000050273651 402026713 /nfs/dbraw/zinc/02/67/13/402026713.db2.gz KRVPIHGDIHVSGP-OAHLLOKOSA-N 1 0 321.808 2.393 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152268910 402085870 /nfs/dbraw/zinc/08/58/70/402085870.db2.gz NSLOGSLONDZAIC-RDJZCZTQSA-N 1 0 317.433 2.348 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000153134685 402129085 /nfs/dbraw/zinc/12/90/85/402129085.db2.gz SCFRIKQVGOMDAT-HZPDHXFCSA-N 1 0 316.401 2.447 10 30 DEEERO CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000329904374 404490207 /nfs/dbraw/zinc/49/02/07/404490207.db2.gz QZGZXAFJKYOTOF-CHWSQXEVSA-N 1 0 313.467 2.127 10 30 DEEERO C[C@H]1C[N@@H+](C2CCN(Cc3ccc(F)cc3C#N)CC2)CCO1 ZINC000103226847 402181998 /nfs/dbraw/zinc/18/19/98/402181998.db2.gz PLCATIXUQNIFDN-AWEZNQCLSA-N 1 0 317.408 2.382 10 30 DEEERO CC[C@H](CO)[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000154061094 402189777 /nfs/dbraw/zinc/18/97/77/402189777.db2.gz QYKVPXYJJIBOFF-QGZVFWFLSA-N 1 0 306.837 2.080 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1sccc1C#N ZINC000109015059 402266730 /nfs/dbraw/zinc/26/67/30/402266730.db2.gz SLICTLWDZOPJEO-CQSZACIVSA-N 1 0 320.462 2.364 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000176629067 402324868 /nfs/dbraw/zinc/32/48/68/402324868.db2.gz SUKLEFDRSKGQCO-UHFFFAOYSA-N 1 0 322.412 2.291 10 30 DEEERO CCC[NH+]1CCC(CNC(=O)NCc2cccc(C#N)c2)CC1 ZINC000157738116 402297895 /nfs/dbraw/zinc/29/78/95/402297895.db2.gz AGMOOTVILMNASK-UHFFFAOYSA-N 1 0 314.433 2.479 10 30 DEEERO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185203021 402334380 /nfs/dbraw/zinc/33/43/80/402334380.db2.gz OUMQIEDYNMBTKP-GOSISDBHSA-N 1 0 300.402 2.479 10 30 DEEERO C[C@]1(C(N)=O)CCCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000185935760 402390786 /nfs/dbraw/zinc/39/07/86/402390786.db2.gz VBDISYLGKGAZLT-QGZVFWFLSA-N 1 0 301.390 2.057 10 30 DEEERO C=C(C)COCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245667429 402477903 /nfs/dbraw/zinc/47/79/03/402477903.db2.gz RFKDPEXKQRNEGP-SJORKVTESA-N 1 0 317.433 2.324 10 30 DEEERO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000246057866 402506196 /nfs/dbraw/zinc/50/61/96/402506196.db2.gz QXOADBLEAQMWOT-SJLPKXTDSA-N 1 0 322.412 2.421 10 30 DEEERO COc1ccc(NC(=[NH2+])NCc2cccnc2-n2ccnc2)cc1 ZINC000170912341 402541269 /nfs/dbraw/zinc/54/12/69/402541269.db2.gz CZFUERZLJUSUFC-UHFFFAOYSA-N 1 0 322.372 2.203 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1ccc(C#N)cc1 ZINC000247514448 402570714 /nfs/dbraw/zinc/57/07/14/402570714.db2.gz WCTHQZGANHKPRU-ZFWWWQNUSA-N 1 0 315.442 2.345 10 30 DEEERO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864682 402535131 /nfs/dbraw/zinc/53/51/31/402535131.db2.gz DRIRQSPYEBYISC-RDJZCZTQSA-N 1 0 315.417 2.124 10 30 DEEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182348458 402683017 /nfs/dbraw/zinc/68/30/17/402683017.db2.gz KYULAMBURHSWDM-QEJZJMRPSA-N 1 0 304.438 2.414 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000183011050 402732874 /nfs/dbraw/zinc/73/28/74/402732874.db2.gz ZUFXGFPUZQWEOK-QGZVFWFLSA-N 1 0 319.449 2.263 10 30 DEEERO C=CCN1CC[C@H](N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)C1=O ZINC000281946716 403107081 /nfs/dbraw/zinc/10/70/81/403107081.db2.gz JITDJUMZHMAPON-JQFCIGGWSA-N 1 0 318.392 2.374 10 30 DEEERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cc(C#N)c[nH]3)C1)CCCC2 ZINC000275627015 403110649 /nfs/dbraw/zinc/11/06/49/403110649.db2.gz LZKHVWWOUUIHFB-AWEZNQCLSA-N 1 0 323.400 2.357 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)c1cn[nH]c1)C(C)C ZINC000270348165 403182643 /nfs/dbraw/zinc/18/26/43/403182643.db2.gz VTJLERFNENIETK-GDBMZVCRSA-N 1 0 319.453 2.469 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](CC)CC1 ZINC000288249685 403742869 /nfs/dbraw/zinc/74/28/69/403742869.db2.gz SSSJCTWLOGDSJL-GOSISDBHSA-N 1 0 313.445 2.358 10 30 DEEERO C#CCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000362365151 403948019 /nfs/dbraw/zinc/94/80/19/403948019.db2.gz QMSGXUGZXQBLBZ-SJLPKXTDSA-N 1 0 301.386 2.126 10 30 DEEERO C#Cc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)cc1 ZINC000289824710 404002355 /nfs/dbraw/zinc/00/23/55/404002355.db2.gz UEKWPIOHBJHUJY-SFHVURJKSA-N 1 0 308.429 2.468 10 30 DEEERO CCc1nn(C)cc1C[N@@H+]1CC[C@H](n2ccc(NC(C)=O)n2)C1 ZINC000328620390 404117545 /nfs/dbraw/zinc/11/75/45/404117545.db2.gz GYPGNFWQMKRJSU-AWEZNQCLSA-N 1 0 316.409 2.234 10 30 DEEERO CC(=O)Nc1ccn([C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)n1 ZINC000328626161 404117630 /nfs/dbraw/zinc/11/76/30/404117630.db2.gz LKVRMAGNXILXNT-JKSUJKDBSA-N 1 0 314.389 2.471 10 30 DEEERO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc[nH]c2=O)[C@@H]1c1cccnc1 ZINC000328628302 404120348 /nfs/dbraw/zinc/12/03/48/404120348.db2.gz NNHIBLHGDDXJPY-ZFWWWQNUSA-N 1 0 312.373 2.180 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328758473 404146271 /nfs/dbraw/zinc/14/62/71/404146271.db2.gz VWIJUGJUCOJJAL-HZSPNIEDSA-N 1 0 322.453 2.260 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1 ZINC000344546123 404218691 /nfs/dbraw/zinc/21/86/91/404218691.db2.gz KNGHKQZETCFUJJ-FRFSOERESA-N 1 0 300.402 2.350 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000363772867 404221071 /nfs/dbraw/zinc/22/10/71/404221071.db2.gz AFJCVSVUHONBDY-QGZVFWFLSA-N 1 0 323.481 2.267 10 30 DEEERO CC(=O)NC1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000329124178 404237355 /nfs/dbraw/zinc/23/73/55/404237355.db2.gz SEPLKPPOWZPPJR-UYSNPLJNSA-N 1 0 322.453 2.358 10 30 DEEERO CCC[C@@H]1C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329270319 404285892 /nfs/dbraw/zinc/28/58/92/404285892.db2.gz HINXMUQONVFYLE-XLNGHYISSA-N 1 0 323.481 2.447 10 30 DEEERO Cc1nn(C)c(C)c1NC(=O)CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000329508075 404359857 /nfs/dbraw/zinc/35/98/57/404359857.db2.gz AWQAXIRJAFFJCZ-IUODEOHRSA-N 1 0 319.453 2.184 10 30 DEEERO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)CC[N@@H+]1C ZINC000329706982 404428662 /nfs/dbraw/zinc/42/86/62/404428662.db2.gz KHMZKRLMXJCTOM-VGWMRTNUSA-N 1 0 324.465 2.241 10 30 DEEERO CC[NH+]1CCN([C@H](C)CNC(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000329826692 404463582 /nfs/dbraw/zinc/46/35/82/404463582.db2.gz ITCWJLKEFXEJJI-CABCVRRESA-N 1 0 324.469 2.258 10 30 DEEERO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000330214120 404587778 /nfs/dbraw/zinc/58/77/78/404587778.db2.gz LLPVDXYHIZQCCW-GDBMZVCRSA-N 1 0 318.421 2.081 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351474841 404590057 /nfs/dbraw/zinc/59/00/57/404590057.db2.gz HJLQKGLNELNPTO-KRWDZBQOSA-N 1 0 319.405 2.038 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000297498911 404560121 /nfs/dbraw/zinc/56/01/21/404560121.db2.gz GCXWGERSXCSYMZ-SFHVURJKSA-N 1 0 311.429 2.438 10 30 DEEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCC[N@H+](CC)C2)cn1 ZINC000330355514 404635670 /nfs/dbraw/zinc/63/56/70/404635670.db2.gz QQYJHCCGWNGGIT-HRCADAONSA-N 1 0 320.437 2.421 10 30 DEEERO CC(C)(C#N)c1ccc(C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000359276554 404789046 /nfs/dbraw/zinc/78/90/46/404789046.db2.gz WGPJXECLSXMQIG-UHFFFAOYSA-N 1 0 308.385 2.147 10 30 DEEERO C=CCCS(=O)(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000366794773 404849227 /nfs/dbraw/zinc/84/92/27/404849227.db2.gz MNPUETGQNASWJS-HUUCEWRRSA-N 1 0 312.410 2.066 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000424136472 405018518 /nfs/dbraw/zinc/01/85/18/405018518.db2.gz KQMRQBWAXDFOMG-XIRDDKMYSA-N 1 0 300.402 2.187 10 30 DEEERO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000408041532 405096516 /nfs/dbraw/zinc/09/65/16/405096516.db2.gz CVLGZLAUFOPZNE-KSZLIROESA-N 1 0 318.392 2.449 10 30 DEEERO N#Cc1nccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000391039079 405048648 /nfs/dbraw/zinc/04/86/48/405048648.db2.gz AYDHZQTWEPPMAB-ALOPSCKCSA-N 1 0 319.412 2.378 10 30 DEEERO C=CCC1(C(=O)N2c3ccccc3C[C@H]2C[NH3+])CCOCC1 ZINC000425254816 405264283 /nfs/dbraw/zinc/26/42/83/405264283.db2.gz MOLRBHKHXPAUBN-HNNXBMFYSA-N 1 0 300.402 2.276 10 30 DEEERO C=CCC1(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])CCOCC1 ZINC000425254818 405264423 /nfs/dbraw/zinc/26/44/23/405264423.db2.gz MOLRBHKHXPAUBN-OAHLLOKOSA-N 1 0 300.402 2.276 10 30 DEEERO C=CCCC[C@@H](C)NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419157670 405226196 /nfs/dbraw/zinc/22/61/96/405226196.db2.gz VSAJOIIAKMZKGH-CQSZACIVSA-N 1 0 309.454 2.015 10 30 DEEERO C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(C#N)n1C ZINC000448959168 405471732 /nfs/dbraw/zinc/47/17/32/405471732.db2.gz DCJIHLMOQNPFFN-OAHLLOKOSA-N 1 0 322.412 2.243 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000633411326 405629549 /nfs/dbraw/zinc/62/95/49/405629549.db2.gz OETFXJNKVNWWCV-UHFFFAOYSA-N 1 0 323.481 2.485 10 30 DEEERO C=CCc1ccc(OCC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(OC)c1 ZINC000638658891 405599561 /nfs/dbraw/zinc/59/95/61/405599561.db2.gz UXMRFDMNSGFZNS-UKRRQHHQSA-N 1 0 318.417 2.059 10 30 DEEERO C=CC[C@@]1(C(=O)N2CCOc3cc(F)ccc3C2)CCC[NH2+]1 ZINC000638794026 405674263 /nfs/dbraw/zinc/67/42/63/405674263.db2.gz MQURIQXPHXVPMY-KRWDZBQOSA-N 1 0 304.365 2.245 10 30 DEEERO C=CCOCC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434145072 406026456 /nfs/dbraw/zinc/02/64/56/406026456.db2.gz OWWQRQXJFPWZST-UHFFFAOYSA-N 1 0 318.417 2.327 10 30 DEEERO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000565758226 406083206 /nfs/dbraw/zinc/08/32/06/406083206.db2.gz GQVCYWVSMLKFJE-WCXIOVBPSA-N 1 0 315.417 2.075 10 30 DEEERO C=CCCOCCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633139764 406392709 /nfs/dbraw/zinc/39/27/09/406392709.db2.gz NNGDETJHNDYHTC-UHFFFAOYSA-N 1 0 309.454 2.239 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000637620335 406368216 /nfs/dbraw/zinc/36/82/16/406368216.db2.gz BONQLIJIESXUSC-HNNXBMFYSA-N 1 0 311.470 2.125 10 30 DEEERO C=CCC[C@H](O)C[NH+]1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000527578473 406679475 /nfs/dbraw/zinc/67/94/75/406679475.db2.gz VPOCNXANVMSKIG-INIZCTEOSA-N 1 0 320.433 2.418 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527896049 406782837 /nfs/dbraw/zinc/78/28/37/406782837.db2.gz BUMPQKLBDGNJHJ-OIISXLGYSA-N 1 0 321.465 2.284 10 30 DEEERO C=CCC[C@@H](CO)NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000575333777 406806926 /nfs/dbraw/zinc/80/69/26/406806926.db2.gz WHPYCTARIUZLCM-INIZCTEOSA-N 1 0 317.433 2.050 10 30 DEEERO C#CC[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1Br ZINC000129068206 196016921 /nfs/dbraw/zinc/01/69/21/196016921.db2.gz PGXVPBAFUQNIEK-VIFPVBQESA-N 1 0 301.571 2.392 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NCCc2ccco2)cc1Cl ZINC000129077324 196017648 /nfs/dbraw/zinc/01/76/48/196017648.db2.gz RJPISLIUSPJQDX-UHFFFAOYSA-N 1 0 302.761 2.216 10 30 DEEERO Cc1ncc(CNC(=O)c2ccc(C#CC[NH3+])c(Cl)c2)s1 ZINC000129080141 196017869 /nfs/dbraw/zinc/01/78/69/196017869.db2.gz QYXBKCPKWGTAME-UHFFFAOYSA-N 1 0 319.817 2.345 10 30 DEEERO C=CCNc1ncc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000129214687 196029692 /nfs/dbraw/zinc/02/96/92/196029692.db2.gz VMGKYCHMFHUQAG-RYUDHWBXSA-N 1 0 308.451 2.296 10 30 DEEERO Cc1cc(C#CC[NH3+])cc(C(=O)N2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000131808781 196201077 /nfs/dbraw/zinc/20/10/77/196201077.db2.gz LKPIGACLXGPRHB-OKILXGFUSA-N 1 0 302.443 2.271 10 30 DEEERO C#CCN(CCC)S(=O)(=O)c1ccc(C[NH2+]CCC)s1 ZINC000132270453 196240763 /nfs/dbraw/zinc/24/07/63/196240763.db2.gz GFXUJKDWWXCBGV-UHFFFAOYSA-N 1 0 314.476 2.282 10 30 DEEERO N#Cc1cc(Br)ccc1Nc1nc(NN)[nH+]cc1F ZINC000133060033 196308044 /nfs/dbraw/zinc/30/80/44/196308044.db2.gz MPBXBHXMLZGWGX-UHFFFAOYSA-N 1 0 323.129 2.279 10 30 DEEERO C[C@H]1CCCN(C(=[NH2+])NCc2ncc(C(F)(F)F)cn2)C1 ZINC000263195392 225293663 /nfs/dbraw/zinc/29/36/63/225293663.db2.gz WIKSBKVHMHVILU-VIFPVBQESA-N 1 0 301.316 2.042 10 30 DEEERO COc1ccc([C@H]2C[C@H](NC(=[NH2+])N3CCO[C@H](C)C3)C2)cc1F ZINC000261702899 225254464 /nfs/dbraw/zinc/25/44/64/225254464.db2.gz LRODKLYPGAUFJS-MRVWCRGKSA-N 1 0 321.396 2.116 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000333807146 226110618 /nfs/dbraw/zinc/11/06/18/226110618.db2.gz OZVKFRHUIGISSC-JONQDZQNSA-N 1 0 304.438 2.100 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000334067745 226113803 /nfs/dbraw/zinc/11/38/03/226113803.db2.gz DYQDBWUPMCNMLL-HRCADAONSA-N 1 0 304.438 2.339 10 30 DEEERO C=CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)cc1OC ZINC000194642652 424877507 /nfs/dbraw/zinc/87/75/07/424877507.db2.gz NZQIOAGLJKWQIX-OAHLLOKOSA-N 1 0 318.417 2.474 10 30 DEEERO Cc1cc(C#N)nc(NC[C@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000439131595 425036363 /nfs/dbraw/zinc/03/63/63/425036363.db2.gz NGHXYNNAGWZWFH-OAHLLOKOSA-N 1 0 311.389 2.889 10 30 DEEERO C=CC[C@H](CO)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000182920157 275749130 /nfs/dbraw/zinc/74/91/30/275749130.db2.gz MIZHNCHWAMIMQC-SJORKVTESA-N 1 0 317.433 2.060 10 30 DEEERO C[C@@H]1CN(c2ncc(Br)cc2C#N)C[C@@H]1[NH+](C)C ZINC000297635468 278813403 /nfs/dbraw/zinc/81/34/03/278813403.db2.gz XJVGHAWBCYMORV-SKDRFNHKSA-N 1 0 309.211 2.102 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@H]2CCCO2)C12CCCCC2 ZINC000262415199 279831526 /nfs/dbraw/zinc/83/15/26/279831526.db2.gz MAUDZKFFRKVCSF-QLFBSQMISA-N 1 0 309.454 2.198 10 30 DEEERO CC(C)[NH+]1CCC(C(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000074029333 281548272 /nfs/dbraw/zinc/54/82/72/281548272.db2.gz DBTBEKNXOUBNDC-UHFFFAOYSA-N 1 0 315.417 2.174 10 30 DEEERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000328673446 289323402 /nfs/dbraw/zinc/32/34/02/289323402.db2.gz PCKZTNRMYHTBCF-RRFJBIMHSA-N 1 0 309.454 2.322 10 30 DEEERO Cc1cccc(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)c1C#N ZINC000189136347 302017553 /nfs/dbraw/zinc/01/75/53/302017553.db2.gz FABPQIMYRFGNBJ-CQSZACIVSA-N 1 0 323.462 2.121 10 30 DEEERO C=CCC(C)(C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000343759912 335190992 /nfs/dbraw/zinc/19/09/92/335190992.db2.gz XUEDCDQULFQXRU-SJPCQFCGSA-N 1 0 319.493 2.358 10 30 DEEERO C=CCC[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000357087579 336573329 /nfs/dbraw/zinc/57/33/29/336573329.db2.gz RARRBFNDUITCKB-IRXDYDNUSA-N 1 0 320.477 2.428 10 30 DEEERO CN(C)C=[NH+]c1ccc2[nH]cc(I)c2n1 ZINC000584605482 337371509 /nfs/dbraw/zinc/37/15/09/337371509.db2.gz RJXAEGUXUJQXDH-AWNIVKPZSA-N 1 0 314.130 2.389 10 30 DEEERO N#Cc1cncc(-c2c[nH]c3ncc(OC4CC[NH2+]CC4)nc23)c1 ZINC000584633493 337377438 /nfs/dbraw/zinc/37/74/38/337377438.db2.gz NGAXPMCEPZSHBW-UHFFFAOYSA-N 1 0 320.356 2.022 10 30 DEEERO C=CCN(CC(F)(F)F)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000542786800 341020770 /nfs/dbraw/zinc/02/07/70/341020770.db2.gz JVYCCVYYZJUYGG-UHFFFAOYSA-N 1 0 301.312 2.485 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000567263709 341592132 /nfs/dbraw/zinc/59/21/32/341592132.db2.gz FVWSDGXJEBZGSH-ZFWWWQNUSA-N 1 0 309.454 2.140 10 30 DEEERO C[C@H]1CN(C(=[NH2+])N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CCO1 ZINC000262815825 533787913 /nfs/dbraw/zinc/78/79/13/533787913.db2.gz OYJSKKMODMRWFO-OPQQBVKSSA-N 1 0 311.788 2.370 10 30 DEEERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1CCC(C#N)CC1 ZINC000442734496 533897295 /nfs/dbraw/zinc/89/72/95/533897295.db2.gz DMGOPXGDIAMBMF-LBDPXKHJSA-N 1 0 306.454 2.298 10 30 DEEERO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(C#N)n2C)c1 ZINC000448904298 534704553 /nfs/dbraw/zinc/70/45/53/534704553.db2.gz OVHYXTFQCZJDIS-UHFFFAOYSA-N 1 0 324.428 2.409 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418580845 526343772 /nfs/dbraw/zinc/34/37/72/526343772.db2.gz TZMKOGDOPQABPE-PBHICJAKSA-N 1 0 312.417 2.254 10 30 DEEERO C[NH+]=C(NCC1CCC(C(F)(F)F)CC1)NCC1(O)CCC1 ZINC000262803764 526351484 /nfs/dbraw/zinc/35/14/84/526351484.db2.gz RWSDZMAPCKVMRH-UHFFFAOYSA-N 1 0 321.387 2.435 10 30 DEEERO C[NH+]=C(NCCC1CC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261782635 526353961 /nfs/dbraw/zinc/35/39/61/526353961.db2.gz PMDRXKKEVRUWJU-ZDUSSCGKSA-N 1 0 321.856 2.279 10 30 DEEERO C[NH+]=C(NCc1cnc(C)s1)NCc1nnc(C(C)C)s1 ZINC000261703239 526388597 /nfs/dbraw/zinc/38/85/97/526388597.db2.gz GJYFYBYMFUDINP-UHFFFAOYSA-N 1 0 324.479 2.292 10 30 DEEERO C[NH+]=C(NCc1cn(-c2ccc(F)cc2)nc1C)NCC1CC1 ZINC000262732544 526415358 /nfs/dbraw/zinc/41/53/58/526415358.db2.gz HJFJFTQBSABRKM-UHFFFAOYSA-N 1 0 315.396 2.395 10 30 DEEERO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)C1=O ZINC000337206625 526482680 /nfs/dbraw/zinc/48/26/80/526482680.db2.gz MXOYIVBIPBZNHK-NVXWUHKLSA-N 1 0 310.401 2.070 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247042854 526540979 /nfs/dbraw/zinc/54/09/79/526540979.db2.gz NCEYIJXDDNCKFX-RDJZCZTQSA-N 1 0 318.465 2.469 10 30 DEEERO C=CCNc1ncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000246084452 526681224 /nfs/dbraw/zinc/68/12/24/526681224.db2.gz YXANIWINEXXJMZ-NEPJUHHUSA-N 1 0 306.435 2.050 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000341278963 526890258 /nfs/dbraw/zinc/89/02/58/526890258.db2.gz VFXBFMMCXKOPIS-RDJZCZTQSA-N 1 0 307.434 2.499 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000417596193 526943830 /nfs/dbraw/zinc/94/38/30/526943830.db2.gz KWFQBPREYRBLRS-UKRRQHHQSA-N 1 0 303.406 2.049 10 30 DEEERO C=CCOc1cccnc1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000341420599 526961144 /nfs/dbraw/zinc/96/11/44/526961144.db2.gz NRHQSTBHUKFAGG-CQSZACIVSA-N 1 0 303.406 2.251 10 30 DEEERO C=CC1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000111256317 526978699 /nfs/dbraw/zinc/97/86/99/526978699.db2.gz DAHGNCSLWLDQKE-CQSZACIVSA-N 1 0 305.374 2.053 10 30 DEEERO C=CCC1(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)CCCC1 ZINC000418255455 527064176 /nfs/dbraw/zinc/06/41/76/527064176.db2.gz LNQLMILEIXZNAU-LBPRGKRZSA-N 1 0 301.381 2.419 10 30 DEEERO C#CCSCCNC(N[C@H]1CCc2ccccc2C1)=[NH+]C ZINC000262698320 527135644 /nfs/dbraw/zinc/13/56/44/527135644.db2.gz YEZUUEULRGCRTM-INIZCTEOSA-N 1 0 301.459 2.075 10 30 DEEERO C=CCCOCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245701722 527352049 /nfs/dbraw/zinc/35/20/49/527352049.db2.gz XURGOOMSWCJLDS-CVEARBPZSA-N 1 0 309.454 2.236 10 30 DEEERO C#C[C@H](C)OC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000180779679 625225044 /nfs/dbraw/zinc/22/50/44/625225044.db2.gz NWWBMTGGVOUNOV-HNNXBMFYSA-N 1 0 300.402 2.396 10 30 DEEERO CC[NH+]=C(NCCOC)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000262023227 637027021 /nfs/dbraw/zinc/02/70/21/637027021.db2.gz ZFUIDDPSYLKWBQ-AWEZNQCLSA-N 1 0 305.422 2.490 10 30 DEEERO C#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000743193619 638123837 /nfs/dbraw/zinc/12/38/37/638123837.db2.gz BNMDQACALDBDAD-ZDUSSCGKSA-N 1 0 319.380 2.301 10 30 DEEERO C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000743198196 638124122 /nfs/dbraw/zinc/12/41/22/638124122.db2.gz ASYKPCGEMFGQIL-ZDUSSCGKSA-N 1 0 305.353 2.053 10 30 DEEERO C=CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccncc1 ZINC000745828831 638293085 /nfs/dbraw/zinc/29/30/85/638293085.db2.gz WEIBVYQTFZQRTL-IAGOWNOFSA-N 1 0 312.417 2.355 10 30 DEEERO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000807169059 645918310 /nfs/dbraw/zinc/91/83/10/645918310.db2.gz FNDXXMXHLUUAKP-MSOLQXFVSA-N 1 0 305.381 2.238 10 30 DEEERO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c1O ZINC000164139201 646419508 /nfs/dbraw/zinc/41/95/08/646419508.db2.gz KUSBHQHXZKURNY-INIZCTEOSA-N 1 0 318.417 2.230 10 30 DEEERO C#CCOc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](CC)C2)c1 ZINC000731111181 647448255 /nfs/dbraw/zinc/44/82/55/647448255.db2.gz RKSRBZLKXNFEQT-AWEZNQCLSA-N 1 0 301.390 2.162 10 30 DEEERO CCOCCCNC(=[NH2+])NCc1ccccc1OC1CCC1 ZINC000304619763 685257284 /nfs/dbraw/zinc/25/72/84/685257284.db2.gz LRUQEWDPZOVDQE-UHFFFAOYSA-N 1 0 305.422 2.449 10 30 DEEERO C#CCN(CC#C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000075392216 683936076 /nfs/dbraw/zinc/93/60/76/683936076.db2.gz BJBAGFSZAWSMLT-QGZVFWFLSA-N 1 0 312.388 2.133 10 30 DEEERO C#CCOc1ccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000125570506 684146746 /nfs/dbraw/zinc/14/67/46/684146746.db2.gz NCBFVHMRTJNFOH-YJBOKZPZSA-N 1 0 303.402 2.138 10 30 DEEERO CN(C)[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)c1ccccc1Cl ZINC000195522081 685101087 /nfs/dbraw/zinc/10/10/87/685101087.db2.gz GWLOXOLIXMIJRD-DOMZBBRYSA-N 1 0 324.856 2.026 10 30 DEEERO CCc1cccc(CC)c1NC(=O)[C@H](C)[N+]12CCN(CC1)CC2 ZINC000029226677 717117378 /nfs/dbraw/zinc/11/73/78/717117378.db2.gz IGGRMYMGYBYDAE-HNNXBMFYSA-O 1 0 316.469 2.284 10 30 DEEERO N#Cc1sc(N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)nc1Cl ZINC000716990770 798346793 /nfs/dbraw/zinc/34/67/93/798346793.db2.gz WYQTVJSTYJAATB-RITPCOANSA-N 1 0 310.732 2.384 10 30 DEEERO C[C@H](C#N)OCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702275986 1086420424 /nfs/dbraw/zinc/42/04/24/1086420424.db2.gz JTYVYHRQVFPYHD-QRQLOZEOSA-N 1 0 313.445 2.369 10 30 DEEERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@@](C)(C#N)C2)CC1 ZINC000612137039 361755589 /nfs/dbraw/zinc/75/55/89/361755589.db2.gz ZREZUDLDDIBMCE-KRWDZBQOSA-N 1 0 306.454 2.444 10 30 DEEERO [NH3+]CC#Cc1ccc(F)c(CNC(=O)CCC(F)(F)F)c1 ZINC000088834268 185266969 /nfs/dbraw/zinc/26/69/69/185266969.db2.gz FGUHCPFVGRFXSY-UHFFFAOYSA-N 1 0 302.271 2.095 10 30 DEEERO C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000625355636 365744951 /nfs/dbraw/zinc/74/49/51/365744951.db2.gz TTYKXTDGOXFQPQ-AWEZNQCLSA-N 1 0 308.447 2.335 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)C(C)=O)C1 ZINC000625701105 365874549 /nfs/dbraw/zinc/87/45/49/365874549.db2.gz NAZJAAZWGVBSCM-QZTJIDSGSA-N 1 0 314.429 2.201 10 30 DEEERO C[NH+](C)Cc1ccc2c(c1)C(C#N)N(Cc1ccccn1)C2=O ZINC000071680476 191005999 /nfs/dbraw/zinc/00/59/99/191005999.db2.gz RBSGCLABHAOZEQ-KRWDZBQOSA-N 1 0 306.369 2.364 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159608749 186130567 /nfs/dbraw/zinc/13/05/67/186130567.db2.gz BKAHOIZMTJNPAT-DZGCQCFKSA-N 1 0 318.417 2.346 10 30 DEEERO C=CCCC1(CNC(=O)CN2CC[NH+](CC)CC2)CCCC1 ZINC000617416941 363127787 /nfs/dbraw/zinc/12/77/87/363127787.db2.gz DLIYSTMPPQFEOQ-UHFFFAOYSA-N 1 0 307.482 2.267 10 30 DEEERO C=CCCC1(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CCCC1 ZINC000617417361 363129037 /nfs/dbraw/zinc/12/90/37/363129037.db2.gz VYEDWXFGSCCZHY-MRXNPFEDSA-N 1 0 305.466 2.019 10 30 DEEERO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)NC1CCCC1 ZINC000329372063 539919251 /nfs/dbraw/zinc/91/92/51/539919251.db2.gz MLGNXWDUIZMRCQ-AWEZNQCLSA-N 1 0 307.438 2.220 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)C1CCCCC1 ZINC000329560245 539923007 /nfs/dbraw/zinc/92/30/07/539923007.db2.gz REQJUPMMPQOGCH-HIFRSBDPSA-N 1 0 307.438 2.218 10 30 DEEERO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2OC)cc1C#N ZINC000174296922 198316693 /nfs/dbraw/zinc/31/66/93/198316693.db2.gz KXKBIKHOKLILQC-MRXNPFEDSA-N 1 0 312.369 2.399 10 30 DEEERO N#Cc1ccc(OC[C@H](O)C[NH2+]CCc2ccsc2)cc1 ZINC000044349611 354234160 /nfs/dbraw/zinc/23/41/60/354234160.db2.gz VLCRTQPQYSHDRX-OAHLLOKOSA-N 1 0 302.399 2.192 10 30 DEEERO C#CCC[NH+]1CCN(c2cc(CC)nc(-c3ccccn3)n2)CC1 ZINC000068693569 354827340 /nfs/dbraw/zinc/82/73/40/354827340.db2.gz YZPPDBHTKCRLLB-UHFFFAOYSA-N 1 0 321.428 2.246 10 30 DEEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000595602020 358497984 /nfs/dbraw/zinc/49/79/84/358497984.db2.gz FROIDMLZRNIWBE-ZFWWWQNUSA-N 1 0 307.438 2.479 10 30 DEEERO COc1cccc(F)c1[C@@H](C)[NH2+]CCC(=O)N(C)CCC#N ZINC000179934913 356037333 /nfs/dbraw/zinc/03/73/33/356037333.db2.gz ASLDJBPJUJRIIP-GFCCVEGCSA-N 1 0 307.369 2.247 10 30 DEEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000182004740 356104523 /nfs/dbraw/zinc/10/45/23/356104523.db2.gz KEWFMTUDUFNUEY-CHWSQXEVSA-N 1 0 321.396 2.493 10 30 DEEERO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182276899 356118405 /nfs/dbraw/zinc/11/84/05/356118405.db2.gz LOEOSCPGJWGUSF-YVEFUNNKSA-N 1 0 317.389 2.120 10 30 DEEERO C=C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)OC ZINC000390003456 356708153 /nfs/dbraw/zinc/70/81/53/356708153.db2.gz QQEACHKTDVNWPR-HQSKLWIPSA-N 1 0 314.429 2.499 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[NH2+]C1CC1 ZINC000591359254 357714379 /nfs/dbraw/zinc/71/43/79/357714379.db2.gz YAVXVZMSKHOULX-UHFFFAOYSA-N 1 0 318.377 2.044 10 30 DEEERO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCC[C@@H]1C(=O)OCC ZINC000595840722 358562133 /nfs/dbraw/zinc/56/21/33/358562133.db2.gz DECCIWQTGNPBID-OWCLPIDISA-N 1 0 320.433 2.114 10 30 DEEERO C=CC[C@]1(C(=O)N(C)Cc2ccc(C(=O)OC)cc2)CCC[NH2+]1 ZINC000595953262 358586336 /nfs/dbraw/zinc/58/63/36/358586336.db2.gz YXGAYWBNCJNKAP-GOSISDBHSA-N 1 0 316.401 2.130 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000600153459 359666815 /nfs/dbraw/zinc/66/68/15/359666815.db2.gz MGMYAIFAZRWXRH-CJNGLKHVSA-N 1 0 304.390 2.329 10 30 DEEERO C=CC[C@]1(C(=O)N2CCc3c(CC#N)cccc3C2)CCC[NH2+]1 ZINC000602573399 360439225 /nfs/dbraw/zinc/43/92/25/360439225.db2.gz IMWDIUPSUADRIH-LJQANCHMSA-N 1 0 309.413 2.336 10 30 DEEERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC2CCC(C#N)CC2)C1 ZINC000441021585 238002030 /nfs/dbraw/zinc/00/20/30/238002030.db2.gz KTQZIIYFIHIRBR-CKUJCDMFSA-N 1 0 306.454 2.488 10 30 DEEERO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000602767796 360542158 /nfs/dbraw/zinc/54/21/58/360542158.db2.gz GLFREKJSUXDWJS-MOPGFXCFSA-N 1 0 314.429 2.458 10 30 DEEERO C=CC[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000623586663 365092797 /nfs/dbraw/zinc/09/27/97/365092797.db2.gz FRBSSHCTELEUES-HNNXBMFYSA-N 1 0 323.481 2.483 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000449871648 241188323 /nfs/dbraw/zinc/18/83/23/241188323.db2.gz UDCUHLBXKYMOAZ-ZBFHGGJFSA-N 1 0 306.381 2.095 10 30 DEEERO C=CC[C@H](Cc1ccccc1)n1cc(C[C@@H]([NH3+])COC)nn1 ZINC000630591700 367743835 /nfs/dbraw/zinc/74/38/35/367743835.db2.gz FILIVWTWANWJOR-NVXWUHKLSA-N 1 0 300.406 2.154 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)C1CCN(OC)CC1)C(C)C ZINC000631274803 368116847 /nfs/dbraw/zinc/11/68/47/368116847.db2.gz TVMTVHFWDVYHJV-QGZVFWFLSA-N 1 0 323.481 2.075 10 30 DEEERO N#Cc1ccc2ncc(CN3CC[C@H](C[NH+]4CCCC4)C3)n2c1 ZINC000093597390 193272516 /nfs/dbraw/zinc/27/25/16/193272516.db2.gz FWEPAESTAOZZLT-MRXNPFEDSA-N 1 0 309.417 2.124 10 30 DEEERO CCc1nnsc1C(=O)Nc1ccc(Cl)c(C#CC[NH3+])c1 ZINC000094671711 193391227 /nfs/dbraw/zinc/39/12/27/193391227.db2.gz IMJQNHWZGUHXPV-UHFFFAOYSA-N 1 0 320.805 2.316 10 30 DEEERO C[C@@H](C(=O)Nc1ccc(Cl)c(C#CC[NH3+])c1)n1cccn1 ZINC000094671745 193391462 /nfs/dbraw/zinc/39/14/62/193391462.db2.gz FFOBZSNXQYFXIP-NSHDSACASA-N 1 0 302.765 2.046 10 30 DEEERO Cc1csc(CNC(=O)c2cc(C)c(C#CC[NH3+])s2)n1 ZINC000094536499 193378306 /nfs/dbraw/zinc/37/83/06/193378306.db2.gz VMUMXXMQWOCDSA-UHFFFAOYSA-N 1 0 305.428 2.062 10 30 DEEERO C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(C#N)cc1F ZINC000453285950 245058555 /nfs/dbraw/zinc/05/85/55/245058555.db2.gz IFFCSSMZONBNFK-DZGCQCFKSA-N 1 0 305.397 2.195 10 30 DEEERO C[NH+](C)Cc1ccc([C@@H](NC(=O)CC#N)c2ccncc2)cc1 ZINC000041569343 183204473 /nfs/dbraw/zinc/20/44/73/183204473.db2.gz YISLLPQNDKAMBC-GOSISDBHSA-N 1 0 308.385 2.262 10 30 DEEERO CCC[NH2+]Cc1ccc(OCC(=O)NCCC#N)c(Cl)c1 ZINC000043479187 183365837 /nfs/dbraw/zinc/36/58/37/183365837.db2.gz ODRGNPSYRDTPRC-UHFFFAOYSA-N 1 0 309.797 2.248 10 30 DEEERO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000284581284 218087611 /nfs/dbraw/zinc/08/76/11/218087611.db2.gz IJYQXULLNUOCRF-SQNIBIBYSA-N 1 0 300.402 2.310 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886873 194157443 /nfs/dbraw/zinc/15/74/43/194157443.db2.gz JGJPVGMLDZVVOM-INIZCTEOSA-N 1 0 316.449 2.184 10 30 DEEERO COc1ccc(C#CC[NH3+])cc1NC(=O)Cc1ccsc1 ZINC000049587316 183744736 /nfs/dbraw/zinc/74/47/36/183744736.db2.gz VYSZBEFHVOWHAX-UHFFFAOYSA-N 1 0 300.383 2.248 10 30 DEEERO C[C@H](C(=O)Nc1cc(C#CC[NH3+])ccc1Cl)n1cccn1 ZINC000061691934 184182841 /nfs/dbraw/zinc/18/28/41/184182841.db2.gz UEVQYFIAFWZXOA-LLVKDONJSA-N 1 0 302.765 2.046 10 30 DEEERO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)n1cnc(C#N)n1 ZINC000061842026 184189582 /nfs/dbraw/zinc/18/95/82/184189582.db2.gz FPJJRAPQIJIOEF-DGCLKSJQSA-N 1 0 320.194 2.239 10 30 DEEERO CC[NH+](CC)[C@H]1CCN(Cc2sccc2C#CCCO)C1 ZINC000062967935 184263575 /nfs/dbraw/zinc/26/35/75/184263575.db2.gz ZSEGCXDFMYJTGZ-INIZCTEOSA-N 1 0 306.475 2.398 10 30 DEEERO CC(C)[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000158826232 197304156 /nfs/dbraw/zinc/30/41/56/197304156.db2.gz UWUDTCHYCGHPOY-INIZCTEOSA-N 1 0 306.431 2.452 10 30 DEEERO [NH3+]CC#Cc1ccc(F)cc1C(=O)NC[C@H]1CCCCS1 ZINC000156565487 197123554 /nfs/dbraw/zinc/12/35/54/197123554.db2.gz POOYZPWLPZKFQZ-CQSZACIVSA-N 1 0 306.406 2.151 10 30 DEEERO C[NH2+]Cc1ccc(Br)cc1-n1cnc(C#N)c1C#N ZINC000156227029 197097482 /nfs/dbraw/zinc/09/74/82/197097482.db2.gz AELLQZJVAABCJW-UHFFFAOYSA-N 1 0 316.162 2.098 10 30 DEEERO CC[C@@H](CO)[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000154060987 196935983 /nfs/dbraw/zinc/93/59/83/196935983.db2.gz QYKVPXYJJIBOFF-KRWDZBQOSA-N 1 0 306.837 2.080 10 30 DEEERO N#Cc1cnccc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000373462339 133392021 /nfs/dbraw/zinc/39/20/21/133392021.db2.gz ZTAXIWYIQRAKOJ-QGZVFWFLSA-N 1 0 306.413 2.352 10 30 DEEERO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1F ZINC000192047699 145070428 /nfs/dbraw/zinc/07/04/28/145070428.db2.gz ONFPDMJYDQGOLV-QGZVFWFLSA-N 1 0 317.408 2.384 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000247303381 145132870 /nfs/dbraw/zinc/13/28/70/145132870.db2.gz HBLSATPLBSKVOD-DZKIICNBSA-N 1 0 315.417 2.124 10 30 DEEERO C[NH+](C)[C@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000110702443 401693597 /nfs/dbraw/zinc/69/35/97/401693597.db2.gz JJLICALNJPIIGQ-INIZCTEOSA-N 1 0 315.417 2.270 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000076736870 401799192 /nfs/dbraw/zinc/79/91/92/401799192.db2.gz NRTZRSVPDQOKPI-UHFFFAOYSA-N 1 0 317.433 2.290 10 30 DEEERO C[NH+](C)C1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000127889376 401754195 /nfs/dbraw/zinc/75/41/95/401754195.db2.gz MIENHZIXUKZVES-UHFFFAOYSA-N 1 0 320.824 2.176 10 30 DEEERO C#CCOc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000113338298 401776738 /nfs/dbraw/zinc/77/67/38/401776738.db2.gz HONDTHRQKMSDSW-QGZVFWFLSA-N 1 0 322.412 2.247 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076107217 401782912 /nfs/dbraw/zinc/78/29/12/401782912.db2.gz XORIHKVIOMBSMS-UAGQMJEPSA-N 1 0 302.418 2.265 10 30 DEEERO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000077397235 401813888 /nfs/dbraw/zinc/81/38/88/401813888.db2.gz FZPYQTRLMBZGBV-OAHLLOKOSA-N 1 0 309.454 2.132 10 30 DEEERO C=CCCCSCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000117944520 401888133 /nfs/dbraw/zinc/88/81/33/401888133.db2.gz DRFXIAZJCWTRHR-HNNXBMFYSA-N 1 0 314.495 2.159 10 30 DEEERO C=CCCCSCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000117944518 401888279 /nfs/dbraw/zinc/88/82/79/401888279.db2.gz DRFXIAZJCWTRHR-OAHLLOKOSA-N 1 0 314.495 2.159 10 30 DEEERO CN1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCC1=O ZINC000119963425 401973276 /nfs/dbraw/zinc/97/32/76/401973276.db2.gz PAMNLKWYWBKZFC-HNNXBMFYSA-N 1 0 301.390 2.080 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000093663854 402018392 /nfs/dbraw/zinc/01/83/92/402018392.db2.gz URINLPWFJIUYHC-GOSISDBHSA-N 1 0 316.445 2.406 10 30 DEEERO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cncnc3)CC2)cc1 ZINC000122799875 402094999 /nfs/dbraw/zinc/09/49/99/402094999.db2.gz DCZBCCPGPSBBBF-UHFFFAOYSA-N 1 0 307.401 2.056 10 30 DEEERO C=CCOc1cccc(CN2CC[NH+](C[C@H](O)CC)CC2)c1 ZINC000123516159 402131691 /nfs/dbraw/zinc/13/16/91/402131691.db2.gz GAGVNIMHOPFQSM-QGZVFWFLSA-N 1 0 304.434 2.140 10 30 DEEERO C[C@H]1C[C@@H](N(C)C(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1C ZINC000153038830 402123532 /nfs/dbraw/zinc/12/35/32/402123532.db2.gz BTYBPHLCJGNMRW-JQWIXIFHSA-N 1 0 307.344 2.391 10 30 DEEERO C#CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000124570774 402186236 /nfs/dbraw/zinc/18/62/36/402186236.db2.gz NWWWVMRJWOXZGJ-GOEBONIOSA-N 1 0 300.402 2.253 10 30 DEEERO C=CC[N@@H+](CCc1ccccc1)CCn1nc2ccccn2c1=O ZINC000068334412 402193722 /nfs/dbraw/zinc/19/37/22/402193722.db2.gz NOVGJAIMIOXDOV-UHFFFAOYSA-N 1 0 322.412 2.227 10 30 DEEERO N#Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nc1 ZINC000107539645 402234698 /nfs/dbraw/zinc/23/46/98/402234698.db2.gz ZHTAHIGUNKOVTI-UHFFFAOYSA-N 1 0 320.396 2.479 10 30 DEEERO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157814563 402298445 /nfs/dbraw/zinc/29/84/45/402298445.db2.gz UBXDQNVWDKFMKM-ZDUSSCGKSA-N 1 0 319.453 2.359 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000176484566 402313653 /nfs/dbraw/zinc/31/36/53/402313653.db2.gz BLNDHIJPDMHUSF-AWEZNQCLSA-N 1 0 316.401 2.309 10 30 DEEERO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)cn2C)C[N@@H+]1Cc1ccccc1 ZINC000177450257 402404023 /nfs/dbraw/zinc/40/40/23/402404023.db2.gz AUFAMSIKLKMBDE-PBHICJAKSA-N 1 0 322.412 2.290 10 30 DEEERO CC[C@@H]1CN(Cc2ccc(C#N)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000186207723 402410170 /nfs/dbraw/zinc/41/01/70/402410170.db2.gz ZYDULGCNQIWYOI-CRAIPNDOSA-N 1 0 301.434 2.144 10 30 DEEERO Clc1ccc(C#CC[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000177310617 402389970 /nfs/dbraw/zinc/38/99/70/402389970.db2.gz YIPQFJHEORBTDN-KRWDZBQOSA-N 1 0 304.821 2.098 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000186701812 402456945 /nfs/dbraw/zinc/45/69/45/402456945.db2.gz RVWDZGYBEPEKPJ-AWEZNQCLSA-N 1 0 322.836 2.471 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000186966089 402474197 /nfs/dbraw/zinc/47/41/97/402474197.db2.gz ATGMJBCNNXDEGG-RHSMWYFYSA-N 1 0 309.413 2.285 10 30 DEEERO C=CCNc1ncc(C(=O)N2CCCN(C3CC3)CC2)s1 ZINC000178537679 402509141 /nfs/dbraw/zinc/50/91/41/402509141.db2.gz ZVKPBJIHKDSYEE-UHFFFAOYSA-N 1 0 306.435 2.051 10 30 DEEERO N#C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CC1 ZINC000246218121 402519052 /nfs/dbraw/zinc/51/90/52/402519052.db2.gz CVJNABGFEFORRI-DOTOQJQBSA-N 1 0 315.392 2.456 10 30 DEEERO N#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CC1 ZINC000246218134 402519075 /nfs/dbraw/zinc/51/90/75/402519075.db2.gz CVJNABGFEFORRI-NVXWUHKLSA-N 1 0 315.392 2.456 10 30 DEEERO C[C@H](O)C[N@@H+]1CCN(CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000246387440 402528652 /nfs/dbraw/zinc/52/86/52/402528652.db2.gz IUGOTUYUFUXSGY-CABCVRRESA-N 1 0 306.837 2.078 10 30 DEEERO CC[C@@H]1CN(CC#Cc2ccc(Cl)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246477306 402532549 /nfs/dbraw/zinc/53/25/49/402532549.db2.gz XHHXQWONFXXPOY-MAUKXSAKSA-N 1 0 320.864 2.469 10 30 DEEERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(C#N)s1 ZINC000179382399 402588127 /nfs/dbraw/zinc/58/81/27/402588127.db2.gz RMOPCMVQVLAYGH-NSHDSACASA-N 1 0 310.386 2.446 10 30 DEEERO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190980995 402634711 /nfs/dbraw/zinc/63/47/11/402634711.db2.gz CWUPNFLWEVMYPP-CQSZACIVSA-N 1 0 307.438 2.171 10 30 DEEERO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000181558116 402649595 /nfs/dbraw/zinc/64/95/95/402649595.db2.gz XDRKFZNAFRRJLG-RDJZCZTQSA-N 1 0 315.417 2.211 10 30 DEEERO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000192658375 402742812 /nfs/dbraw/zinc/74/28/12/402742812.db2.gz VVMCXIJHXUJUAN-KRWDZBQOSA-N 1 0 320.396 2.348 10 30 DEEERO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000174499477 402743848 /nfs/dbraw/zinc/74/38/48/402743848.db2.gz BUBOQIJZWNWZEA-HUUCEWRRSA-N 1 0 315.417 2.126 10 30 DEEERO C#CCC(CC#C)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000277689520 403245666 /nfs/dbraw/zinc/24/56/66/403245666.db2.gz NOCGLNUDRFUOHW-UHFFFAOYSA-N 1 0 314.404 2.379 10 30 DEEERO C#CCNC(=O)CNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000302708465 403714211 /nfs/dbraw/zinc/71/42/11/403714211.db2.gz CZJAJWZVQMKOQL-UHFFFAOYSA-N 1 0 307.275 2.415 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000288259872 403744372 /nfs/dbraw/zinc/74/43/72/403744372.db2.gz FSNXKSVFILNPAK-VQIMIIECSA-N 1 0 308.425 2.428 10 30 DEEERO CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3nc(C)ccc3O)C2)n1 ZINC000328623391 404117834 /nfs/dbraw/zinc/11/78/34/404117834.db2.gz JAWKAXWQWQUYHA-ZDUSSCGKSA-N 1 0 315.377 2.347 10 30 DEEERO CCn1cc(C[N@@H+]2CC[C@@H](n3ccc(NC(C)=O)n3)C2)cn1 ZINC000328634588 404119350 /nfs/dbraw/zinc/11/93/50/404119350.db2.gz UFRCXBHEEOEBCG-CQSZACIVSA-N 1 0 302.382 2.154 10 30 DEEERO CC(=O)Nc1ccn([C@@H]2CC[N@H+](Cc3ccc(CO)o3)C2)n1 ZINC000328633669 404120421 /nfs/dbraw/zinc/12/04/21/404120421.db2.gz STDYMJVFOLHQKG-GFCCVEGCSA-N 1 0 304.350 2.023 10 30 DEEERO Cn1ncc2c1C[C@H](C(=O)N[C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC000328680162 404131142 /nfs/dbraw/zinc/13/11/42/404131142.db2.gz UKLAFWKWRYNGHA-UKRRQHHQSA-N 1 0 316.449 2.498 10 30 DEEERO Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)CCCN1C ZINC000329018254 404203875 /nfs/dbraw/zinc/20/38/75/404203875.db2.gz KWZGDQBZPLQPHL-QBYUYEEZSA-N 1 0 301.438 2.085 10 30 DEEERO C[C@H](CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)NC(=O)C1CCCC1 ZINC000329513766 404361074 /nfs/dbraw/zinc/36/10/74/404361074.db2.gz YCKCCFQTBDYEEM-CZUORRHYSA-N 1 0 321.465 2.464 10 30 DEEERO Cc1nnc([C@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000329778851 404449318 /nfs/dbraw/zinc/44/93/18/404449318.db2.gz LMNIKFWXJVFIMD-SMHCIBLRSA-N 1 0 323.466 2.426 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000297693277 404591932 /nfs/dbraw/zinc/59/19/32/404591932.db2.gz QQZCWYNYLAKZOU-MSOLQXFVSA-N 1 0 311.429 2.294 10 30 DEEERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330339509 404630333 /nfs/dbraw/zinc/63/03/33/404630333.db2.gz WSEAVZDOMSYAEI-VWPFQQQWSA-N 1 0 320.437 2.327 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000414867495 404752067 /nfs/dbraw/zinc/75/20/67/404752067.db2.gz OJPIKMLCKJJIDR-UHFFFAOYSA-N 1 0 303.406 2.159 10 30 DEEERO N#CC[C@H](CC(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000359260572 404789008 /nfs/dbraw/zinc/78/90/08/404789008.db2.gz DNEYEKOADLNCQM-MRXNPFEDSA-N 1 0 308.385 2.119 10 30 DEEERO C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423984137 404959918 /nfs/dbraw/zinc/95/99/18/404959918.db2.gz NZTYAAKOTBAXEN-FZKQIMNGSA-N 1 0 318.417 2.317 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000424175621 405029988 /nfs/dbraw/zinc/02/99/88/405029988.db2.gz QBRXSGHVLPBLLS-FZMZJTMJSA-N 1 0 322.361 2.293 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1CC[NH+](CCC)CC1 ZINC000438076814 405229999 /nfs/dbraw/zinc/22/99/99/405229999.db2.gz UQYZRCRGZKPIDQ-IRXDYDNUSA-N 1 0 323.481 2.389 10 30 DEEERO Cc1ccc2ncc(C#N)c(N3CCC[N@@H+]([C@H](C)CO)CC3)c2c1 ZINC000368180691 405230999 /nfs/dbraw/zinc/23/09/99/405230999.db2.gz RVKMWJRJNHSZBE-OAHLLOKOSA-N 1 0 324.428 2.308 10 30 DEEERO C=CCC1(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)CCCC1 ZINC000419504738 405253499 /nfs/dbraw/zinc/25/34/99/405253499.db2.gz HJYOZOVYUDCODP-HZPDHXFCSA-N 1 0 323.481 2.219 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000425561880 405303513 /nfs/dbraw/zinc/30/35/13/405303513.db2.gz DHBAYKCCAHKVGP-IKGGRYGDSA-N 1 0 323.481 2.245 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000448697789 405438231 /nfs/dbraw/zinc/43/82/31/405438231.db2.gz NPXFATNEWKIJOA-INIZCTEOSA-N 1 0 302.422 2.137 10 30 DEEERO C=CC[C@H]1CCN(C(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)C1 ZINC000638473597 405494792 /nfs/dbraw/zinc/49/47/92/405494792.db2.gz CRQUBQFYFLPCEI-YQQAZPJKSA-N 1 0 302.418 2.344 10 30 DEEERO C=CC(C)(C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000449963826 405721267 /nfs/dbraw/zinc/72/12/67/405721267.db2.gz CMOSZKUYXCOHDE-UHFFFAOYSA-N 1 0 307.482 2.265 10 30 DEEERO C=CCC[C@@H]1NC(=O)N(C[C@H]2CC[N@@H+]2C2CCCCC2)C1=O ZINC000530200527 405775906 /nfs/dbraw/zinc/77/59/06/405775906.db2.gz GMDQXQSDVYUBNP-CABCVRRESA-N 1 0 305.422 2.280 10 30 DEEERO C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc3[nH]c(=O)oc3c2)CCC[NH2+]1 ZINC000638992386 405805284 /nfs/dbraw/zinc/80/52/84/405805284.db2.gz ATDZMMQOWLOCQR-GTNSWQLSSA-N 1 0 315.373 2.409 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000594044805 405886068 /nfs/dbraw/zinc/88/60/68/405886068.db2.gz RSCPEWGSIZVWOO-QWRGUYRKSA-N 1 0 317.380 2.190 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000636459111 405969110 /nfs/dbraw/zinc/96/91/10/405969110.db2.gz ZJOUYRNDPRIPSU-UHFFFAOYSA-N 1 0 323.481 2.084 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000636716899 406061559 /nfs/dbraw/zinc/06/15/59/406061559.db2.gz UZWJCWRZPXWHMG-HNNXBMFYSA-N 1 0 323.481 2.086 10 30 DEEERO C=CCn1c(CC)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000518798444 406160413 /nfs/dbraw/zinc/16/04/13/406160413.db2.gz QACKCPZJEKJFGA-UHFFFAOYSA-N 1 0 303.454 2.339 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000637194688 406207433 /nfs/dbraw/zinc/20/74/33/406207433.db2.gz LLAKAGXQYCRMMB-AWEZNQCLSA-N 1 0 323.481 2.084 10 30 DEEERO C=C(C)CC[N@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639702789 406211522 /nfs/dbraw/zinc/21/15/22/406211522.db2.gz URGUDCDCRRMDCT-OAHLLOKOSA-N 1 0 303.406 2.251 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000632723444 406240560 /nfs/dbraw/zinc/24/05/60/406240560.db2.gz XQRDIXRXKSQYEH-UHFFFAOYSA-N 1 0 323.481 2.182 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000633040080 406360478 /nfs/dbraw/zinc/36/04/78/406360478.db2.gz GLPPHPOBVUJEHA-IRXDYDNUSA-N 1 0 321.465 2.284 10 30 DEEERO C=CCOc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000632875728 406302690 /nfs/dbraw/zinc/30/26/90/406302690.db2.gz NCKQDMOKQFWMTL-WBVHZDCISA-N 1 0 300.402 2.466 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000637620251 406368331 /nfs/dbraw/zinc/36/83/31/406368331.db2.gz AVKGFPIVUFZZBJ-CABCVRRESA-N 1 0 311.470 2.075 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000637622079 406369625 /nfs/dbraw/zinc/36/96/25/406369625.db2.gz YHENZNAQRJOWDD-CABCVRRESA-N 1 0 311.470 2.075 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000637622066 406369913 /nfs/dbraw/zinc/36/99/13/406369913.db2.gz XZIQGQLKYROXIU-OAHLLOKOSA-N 1 0 311.470 2.125 10 30 DEEERO C=CCn1c(C)cc(C(=O)CN(CCOC)[C@H]2CCOC2)c1C ZINC000490072318 406449291 /nfs/dbraw/zinc/44/92/91/406449291.db2.gz MMOUXJISMLUVJS-INIZCTEOSA-N 1 0 320.433 2.211 10 30 DEEERO C=CCc1cc(CNC(=O)CCC2C[NH2+]C2)cc(OC)c1OC ZINC000637967686 406501066 /nfs/dbraw/zinc/50/10/66/406501066.db2.gz VZBBHHIKSHQYLL-UHFFFAOYSA-N 1 0 318.417 2.048 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000572602085 406701162 /nfs/dbraw/zinc/70/11/62/406701162.db2.gz IFYHRYCVFJKUBA-JKSUJKDBSA-N 1 0 307.434 2.250 10 30 DEEERO C#CC[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1Br ZINC000129069080 196016390 /nfs/dbraw/zinc/01/63/90/196016390.db2.gz DRCNOBLQRIEWLN-VIFPVBQESA-N 1 0 301.571 2.392 10 30 DEEERO Cc1cccc(C(=O)NCc2sccc2C#CC[NH3+])c1F ZINC000132105423 196226889 /nfs/dbraw/zinc/22/68/89/196226889.db2.gz JKYHXKQUOHMJTH-UHFFFAOYSA-N 1 0 302.374 2.436 10 30 DEEERO Cc1ncc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)c(=O)[nH]1 ZINC000262232496 225266860 /nfs/dbraw/zinc/26/68/60/225266860.db2.gz MLEKYTSIFVPZAZ-UHFFFAOYSA-N 1 0 315.377 2.205 10 30 DEEERO [NH2+]=C(NCC1(CO)CC(c2ccccc2)C1)Nc1ccccn1 ZINC000262799070 225285039 /nfs/dbraw/zinc/28/50/39/225285039.db2.gz NUHUZSUUTREQAR-UHFFFAOYSA-N 1 0 310.401 2.365 10 30 DEEERO COCc1ccccc1NC(=[NH2+])NCc1nn(C)cc1Cl ZINC000263037203 225290455 /nfs/dbraw/zinc/29/04/55/225290455.db2.gz BWNSZRCUBBZTMX-UHFFFAOYSA-N 1 0 307.785 2.147 10 30 DEEERO [NH2+]=C(NCCc1c[nH]c2ccc(Br)cc12)N1CCC1 ZINC000263151201 225292620 /nfs/dbraw/zinc/29/26/20/225292620.db2.gz PNHVOQYIDHJJSP-UHFFFAOYSA-N 1 0 321.222 2.493 10 30 DEEERO Cc1csc([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)n1 ZINC000249857546 225245210 /nfs/dbraw/zinc/24/52/10/225245210.db2.gz DRAJZEMVNGYSAD-KGLIPLIRSA-N 1 0 320.462 2.392 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000333199417 226102860 /nfs/dbraw/zinc/10/28/60/226102860.db2.gz QORDAZFOZASJPZ-ZFWWWQNUSA-N 1 0 304.438 2.385 10 30 DEEERO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccn1C ZINC000195120071 424880222 /nfs/dbraw/zinc/88/02/22/424880222.db2.gz WVOMXCOMDWNHNX-UHFFFAOYSA-N 1 0 324.428 2.409 10 30 DEEERO C=CCCCN(C)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376035437 424893664 /nfs/dbraw/zinc/89/36/64/424893664.db2.gz RSLYUMSPTDTVGT-UHFFFAOYSA-N 1 0 305.426 2.580 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c(F)cc(C#N)cc1F ZINC000246124297 288312003 /nfs/dbraw/zinc/31/20/03/288312003.db2.gz BKIRVYGJOKKXNX-PWSUYJOCSA-N 1 0 305.328 2.145 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000448647800 294147165 /nfs/dbraw/zinc/14/71/65/294147165.db2.gz JXLABJCANOFZIZ-KRWDZBQOSA-N 1 0 322.412 2.464 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn2c(n1)CCC2)C(C)C ZINC000567355063 341598186 /nfs/dbraw/zinc/59/81/86/341598186.db2.gz RBJVDJIKKUITPN-INIZCTEOSA-N 1 0 316.449 2.258 10 30 DEEERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(C#N)n2C)C1 ZINC000448775792 533791145 /nfs/dbraw/zinc/79/11/45/533791145.db2.gz TXFRYWOJUTZNNU-OKILXGFUSA-N 1 0 316.449 2.383 10 30 DEEERO CSCc1cc(F)ccc1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262465914 533833379 /nfs/dbraw/zinc/83/33/79/533833379.db2.gz NPOQQCWQJGCGRK-LLVKDONJSA-N 1 0 311.426 2.224 10 30 DEEERO Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCCOC2)CCC[N@@H+]1C ZINC000329166059 534320398 /nfs/dbraw/zinc/32/03/98/534320398.db2.gz HOJICKFSKBQDNR-SQWLQELKSA-N 1 0 320.437 2.186 10 30 DEEERO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418590714 526338486 /nfs/dbraw/zinc/33/84/86/526338486.db2.gz JSYNZCZLYFWESL-RHSMWYFYSA-N 1 0 317.433 2.391 10 30 DEEERO C[NH+]=C(NCC(=O)NC(C)C)N[C@H](C)c1cc2ccccc2o1 ZINC000115381285 526347485 /nfs/dbraw/zinc/34/74/85/526347485.db2.gz XYJXXHNDULCCEZ-GFCCVEGCSA-N 1 0 316.405 2.183 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[NH3+] ZINC000418413055 526347888 /nfs/dbraw/zinc/34/78/88/526347888.db2.gz IWZFEALIGDUSHO-UHFFFAOYSA-N 1 0 306.366 2.030 10 30 DEEERO C[NH+]=C(NCCC1=CCCCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261864504 526353410 /nfs/dbraw/zinc/35/34/10/526353410.db2.gz ZRYPGFRAFNVRPI-SFHVURJKSA-N 1 0 318.465 2.054 10 30 DEEERO C[NH+]=C(NCCN1CCC1)NCc1ccc(Cl)cc1Cl ZINC000261757521 526355811 /nfs/dbraw/zinc/35/58/11/526355811.db2.gz QUUFOOOMPJXZRL-UHFFFAOYSA-N 1 0 315.248 2.364 10 30 DEEERO C[NH+]=C(NCCc1c[nH]c2ncccc12)NC[C@H]1CCCS1 ZINC000261939135 526364617 /nfs/dbraw/zinc/36/46/17/526364617.db2.gz DDRODXCFVSGSCS-CYBMUJFWSA-N 1 0 317.462 2.166 10 30 DEEERO C[NH+]=C(NCCn1cccn1)N1CC[C@](C)(c2ccccc2)C1 ZINC000261799350 526368321 /nfs/dbraw/zinc/36/83/21/526368321.db2.gz RGYBHQFFEOGVJX-SFHVURJKSA-N 1 0 311.433 2.122 10 30 DEEERO C[NH+]=C(NCc1nccs1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000262923407 526391365 /nfs/dbraw/zinc/39/13/65/526391365.db2.gz ZMSXLEFWVXCULL-CYBMUJFWSA-N 1 0 315.446 2.087 10 30 DEEERO C[NH+]=C(N[C@H]1CC1(C)C)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262797447 526416464 /nfs/dbraw/zinc/41/64/64/526416464.db2.gz OMWFPQRUJFVEJC-CJNGLKHVSA-N 1 0 316.449 2.237 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000246246983 526525557 /nfs/dbraw/zinc/52/55/57/526525557.db2.gz ISHVTHMPQVPYPD-HOTGVXAUSA-N 1 0 304.438 2.191 10 30 DEEERO C=C(C)COc1cc(C[NH2+][C@H]2CCCNC2=O)ccc1OC ZINC000294937782 526662444 /nfs/dbraw/zinc/66/24/44/526662444.db2.gz BZCATHBPGYPLGM-AWEZNQCLSA-N 1 0 304.390 2.018 10 30 DEEERO C=CCOCC[N@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000339006007 526770856 /nfs/dbraw/zinc/77/08/56/526770856.db2.gz MUSUNHJTDQNGGN-CYBMUJFWSA-N 1 0 322.371 2.312 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000368161154 526780306 /nfs/dbraw/zinc/78/03/06/526780306.db2.gz RVPSBYDRITWIBW-KEYYUXOJSA-N 1 0 312.429 2.296 10 30 DEEERO C=CCOCC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000294521462 526781742 /nfs/dbraw/zinc/78/17/42/526781742.db2.gz JEEPYXGFLNIJMZ-ZDUSSCGKSA-N 1 0 300.196 2.275 10 30 DEEERO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373883316 526831101 /nfs/dbraw/zinc/83/11/01/526831101.db2.gz WOBDRUGYZLSINI-RDHHWEPZSA-N 1 0 321.465 2.284 10 30 DEEERO C=CCOc1ccc(CC(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000294447418 526855749 /nfs/dbraw/zinc/85/57/49/526855749.db2.gz CVRSNMZIVBZNTF-MRXNPFEDSA-N 1 0 302.418 2.347 10 30 DEEERO C=CCOc1ccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1 ZINC000418115875 526873756 /nfs/dbraw/zinc/87/37/56/526873756.db2.gz QADXKOAXFXTMLA-CVEARBPZSA-N 1 0 304.434 2.138 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000185223375 527089668 /nfs/dbraw/zinc/08/96/68/527089668.db2.gz PKSCYDGEGJGXSZ-INIZCTEOSA-N 1 0 323.481 2.411 10 30 DEEERO C=CCCCN(C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000156390640 527183190 /nfs/dbraw/zinc/18/31/90/527183190.db2.gz DBOQFLJVTBTSSS-DLBZAZTESA-N 1 0 323.481 2.362 10 30 DEEERO C=CCCCS(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000292757612 527237156 /nfs/dbraw/zinc/23/71/56/527237156.db2.gz WPQAOSDEDYUNKE-QGZVFWFLSA-N 1 0 322.474 2.489 10 30 DEEERO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000337806920 527279963 /nfs/dbraw/zinc/27/99/63/527279963.db2.gz IDFLBWOGVBKVHB-UHFFFAOYSA-N 1 0 313.405 2.399 10 30 DEEERO C=CCCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245674495 527358509 /nfs/dbraw/zinc/35/85/09/527358509.db2.gz STFFFQBQUFITHG-DLBZAZTESA-N 1 0 317.433 2.324 10 30 DEEERO C=CCCOCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415962963 527359449 /nfs/dbraw/zinc/35/94/49/527359449.db2.gz UQYQHSWEDSEEIP-UHFFFAOYSA-N 1 0 307.369 2.186 10 30 DEEERO CC(C)[NH+]=C(NCCc1ccco1)N[C@H]1CCC2(C1)OCCO2 ZINC000262665118 527383161 /nfs/dbraw/zinc/38/31/61/527383161.db2.gz NAEGNRQCNSWNQB-AWEZNQCLSA-N 1 0 321.421 2.061 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000425857799 527494558 /nfs/dbraw/zinc/49/45/58/527494558.db2.gz PVCOHYZQCVGAFJ-VGWMRTNUSA-N 1 0 309.454 2.092 10 30 DEEERO C=CCN(CC=C)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246515934 527612599 /nfs/dbraw/zinc/61/25/99/527612599.db2.gz IMTSUPOTDXSFNU-FUHWJXTLSA-N 1 0 317.477 2.136 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246545161 527629869 /nfs/dbraw/zinc/62/98/69/527629869.db2.gz GPGXHEHYRNBTEP-NVXWUHKLSA-N 1 0 315.417 2.124 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504879 527632646 /nfs/dbraw/zinc/63/26/46/527632646.db2.gz SDGWABRAGPDKER-HNNXBMFYSA-N 1 0 316.449 2.189 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373935701 527633365 /nfs/dbraw/zinc/63/33/65/527633365.db2.gz FAUSOZUJRURHTO-JKSUJKDBSA-N 1 0 314.433 2.245 10 30 DEEERO CC[NH+]=C(NCCC1CCCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261838645 528805539 /nfs/dbraw/zinc/80/55/39/528805539.db2.gz WJEBXOGWUBUSTE-GOSISDBHSA-N 1 0 320.481 2.134 10 30 DEEERO CC[NH+]=C(NCc1cc(F)cc2c1OCOC2)NCC(C)C ZINC000262604413 528828676 /nfs/dbraw/zinc/82/86/76/528828676.db2.gz ZKNBHYMXEAVMHA-UHFFFAOYSA-N 1 0 309.385 2.403 10 30 DEEERO CC1(C)CC[C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)O1 ZINC000262430608 529019333 /nfs/dbraw/zinc/01/93/33/529019333.db2.gz JIBUQYGRXVYIIZ-JSGCOSHPSA-N 1 0 303.406 2.372 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C#N)cc1 ZINC000246441794 536166812 /nfs/dbraw/zinc/16/68/12/536166812.db2.gz UEJWCGQZSJDVDQ-IRXDYDNUSA-N 1 0 312.417 2.326 10 30 DEEERO C#CC[N@@H+](CCCCS(C)(=O)=O)[C@H]1CCc2ccccc21 ZINC000161460820 637457414 /nfs/dbraw/zinc/45/74/14/637457414.db2.gz DCSOSOFTIWFUHK-KRWDZBQOSA-N 1 0 305.443 2.434 10 30 DEEERO C#CCNC(=O)CC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000746049845 638306222 /nfs/dbraw/zinc/30/62/22/638306222.db2.gz UXZOQKHTWALKEY-NSHDSACASA-N 1 0 309.207 2.239 10 30 DEEERO COC(=O)/C(C)=C/C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000746500534 638350458 /nfs/dbraw/zinc/35/04/58/638350458.db2.gz DNMBZVIDIZQKQE-OVCLIPMQSA-N 1 0 313.401 2.190 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000805187626 640123822 /nfs/dbraw/zinc/12/38/22/640123822.db2.gz RMYZWAVULCEQTC-CGTJXYLNSA-N 1 0 313.445 2.403 10 30 DEEERO C#CC[N@H+]1CCC[C@H]1COC(=O)COc1ccccc1CC ZINC000729809774 640843283 /nfs/dbraw/zinc/84/32/83/640843283.db2.gz PFWANWYGXINJEZ-INIZCTEOSA-N 1 0 301.386 2.269 10 30 DEEERO C#CC[N@H+]1CCC[C@@H]1COC(=O)COc1ccccc1CC ZINC000729809776 640843332 /nfs/dbraw/zinc/84/33/32/640843332.db2.gz PFWANWYGXINJEZ-MRXNPFEDSA-N 1 0 301.386 2.269 10 30 DEEERO COC(=O)C(C)(C)[C@H]([NH2+]CCO[C@H](C)C#N)c1ccccc1 ZINC000801938307 645466068 /nfs/dbraw/zinc/46/60/68/645466068.db2.gz DIJUCQMXHVUDAP-UKRRQHHQSA-N 1 0 304.390 2.445 10 30 DEEERO C=C(Br)CNC(=O)NCC1CC[NH+](CCC)CC1 ZINC000171199250 646690093 /nfs/dbraw/zinc/69/00/93/646690093.db2.gz NOANVOKZHWWGRQ-UHFFFAOYSA-N 1 0 318.259 2.316 10 30 DEEERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181674761 648723414 /nfs/dbraw/zinc/72/34/14/648723414.db2.gz RUPVWVHUBZFXAZ-DOTOQJQBSA-N 1 0 317.433 2.350 10 30 DEEERO COc1cc(CNC(=[NH2+])N2CCCCCC2)cc(OC)c1O ZINC000305075278 685270263 /nfs/dbraw/zinc/27/02/63/685270263.db2.gz QFBSENJVFVSAAZ-UHFFFAOYSA-N 1 0 307.394 2.100 10 30 DEEERO C#CCCOc1ccc(C[NH+]2CCC(OCCCO)CC2)cc1 ZINC000093694619 684050491 /nfs/dbraw/zinc/05/04/91/684050491.db2.gz BXYQLYYJFVSZQO-UHFFFAOYSA-N 1 0 317.429 2.452 10 30 DEEERO C[NH+]=C(NCC(=O)N1CCCc2ccccc21)N[C@@H](C)C(C)C ZINC000103907802 684058006 /nfs/dbraw/zinc/05/80/06/684058006.db2.gz GTIKKLHDGCFFKD-AWEZNQCLSA-N 1 0 316.449 2.175 10 30 DEEERO COCC[N@@H+]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C[C@H]1C ZINC000120803940 684100663 /nfs/dbraw/zinc/10/06/63/684100663.db2.gz JTNHKCQTUIZDNC-CVEARBPZSA-N 1 0 317.433 2.130 10 30 DEEERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000159634555 684317522 /nfs/dbraw/zinc/31/75/22/684317522.db2.gz CTERKBZMLGSYRO-ZBFHGGJFSA-N 1 0 314.433 2.122 10 30 DEEERO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245507007 685113567 /nfs/dbraw/zinc/11/35/67/685113567.db2.gz PACIGCKHJZLYQG-UKRRQHHQSA-N 1 0 302.374 2.362 10 30 DEEERO COc1cccc(CNC(=[NH2+])NCCc2cccs2)c1OC ZINC000303786755 685235103 /nfs/dbraw/zinc/23/51/03/685235103.db2.gz RPCIEMREDDBWLL-UHFFFAOYSA-N 1 0 319.430 2.412 10 30 DEEERO CN(CCCNC(=[NH2+])NCCc1cccs1)CC(F)(F)F ZINC000303887409 685237777 /nfs/dbraw/zinc/23/77/77/685237777.db2.gz KVOJINUWXYCTEL-UHFFFAOYSA-N 1 0 322.400 2.079 10 30 DEEERO CCc1cccc(C)c1NC(=O)[C@H](C)[N+]12CCN(CC1)CC2 ZINC000029226281 717117502 /nfs/dbraw/zinc/11/75/02/717117502.db2.gz QIFOTXDSTRJOJT-HNNXBMFYSA-O 1 0 302.442 2.030 10 30 DEEERO C[C@@H](NC(=O)[C@@H](C)[N+]12CCN(CC1)CC2)c1ccc(Cl)cc1 ZINC000029227862 717117928 /nfs/dbraw/zinc/11/79/28/717117928.db2.gz CCRKVFYYQCUVDL-ZIAGYGMSSA-O 1 0 322.860 2.052 10 30 DEEERO C#CCC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000717886737 1091356347 /nfs/dbraw/zinc/35/63/47/1091356347.db2.gz JLAIKENPQZSFPI-MELADBBJSA-N 1 0 310.438 2.042 10 30 DEEERO CC[C@@]1(C)CCN(C(NCC(=O)Nc2ccc(F)cc2)=[NH+]C)C1 ZINC000261818765 529524488 /nfs/dbraw/zinc/52/44/88/529524488.db2.gz UETMRBGQFIHWNS-KRWDZBQOSA-N 1 0 320.412 2.462 10 30 DEEERO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000090068819 185280677 /nfs/dbraw/zinc/28/06/77/185280677.db2.gz BSZZKCJPPVKWMH-WFASDCNBSA-N 1 0 318.377 2.396 10 30 DEEERO CCc1ncc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)o1 ZINC000263195943 529752068 /nfs/dbraw/zinc/75/20/68/529752068.db2.gz WMMDCDZNBMGRRL-UHFFFAOYSA-N 1 0 316.361 2.325 10 30 DEEERO C=CC[C@H]1CC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000625704048 365877262 /nfs/dbraw/zinc/87/72/62/365877262.db2.gz RNNXYPZKFOOEDC-AWEZNQCLSA-N 1 0 308.447 2.335 10 30 DEEERO C=CC[C@@H]1CC[N@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000625704621 365877734 /nfs/dbraw/zinc/87/77/34/365877734.db2.gz YZOPRGSZIQRYFW-OAHLLOKOSA-N 1 0 300.402 2.274 10 30 DEEERO C#CCN[C@@H](C[NH3+])c1cc(Br)c(Br)o1 ZINC000083758727 192381592 /nfs/dbraw/zinc/38/15/92/192381592.db2.gz JEUHXYDSDBXXPG-ZETCQYMHSA-N 1 0 322.000 2.027 10 30 DEEERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CC(=O)NC(=O)NC2CC2)C1 ZINC000328739186 539910070 /nfs/dbraw/zinc/91/00/70/539910070.db2.gz MOAUSISBSMZMKU-BEAPCOKYSA-N 1 0 323.437 2.281 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)CC1CCCC1 ZINC000329364242 539919396 /nfs/dbraw/zinc/91/93/96/539919396.db2.gz FWXYLLZDMXIDMD-HIFRSBDPSA-N 1 0 307.438 2.218 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173652872 198236038 /nfs/dbraw/zinc/23/60/38/198236038.db2.gz BUXCLJAADFBLNG-XJKSGUPXSA-N 1 0 323.400 2.277 10 30 DEEERO C[NH+](C)Cc1cc(CNC(=O)c2c[nH]c(C#N)c2)ccc1F ZINC000181298940 356077509 /nfs/dbraw/zinc/07/75/09/356077509.db2.gz WJISXIYHRHMSPE-UHFFFAOYSA-N 1 0 300.337 2.017 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C)c1ccncc1C#N ZINC000585790413 357356248 /nfs/dbraw/zinc/35/62/48/357356248.db2.gz OOKPEKUVECIFMG-KBXCAEBGSA-N 1 0 324.432 2.206 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CC)c1csc(C)c1 ZINC000592188383 357848136 /nfs/dbraw/zinc/84/81/36/357848136.db2.gz OKZRMRVZYTTXHS-AAEUAGOBSA-N 1 0 309.435 2.498 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000185224242 199827039 /nfs/dbraw/zinc/82/70/39/199827039.db2.gz RFLUSTHWDURCNI-LSDHHAIUSA-N 1 0 321.421 2.043 10 30 DEEERO C=C(C)[C@H](CO)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000594017847 358190074 /nfs/dbraw/zinc/19/00/74/358190074.db2.gz MUBZDAQIQAAMMU-XHSDSOJGSA-N 1 0 323.820 2.465 10 30 DEEERO CC(=O)N(C)c1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594442919 358273411 /nfs/dbraw/zinc/27/34/11/358273411.db2.gz CXHPFOYVDHDPDY-HNNXBMFYSA-N 1 0 302.378 2.019 10 30 DEEERO C=CC[C@H]1CC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000599526681 359516528 /nfs/dbraw/zinc/51/65/28/359516528.db2.gz PIQWCZQBNJBVTO-INIZCTEOSA-N 1 0 315.417 2.301 10 30 DEEERO C=C(Br)CSc1nnnn1CC[NH2+]C(C)(C)C ZINC000089690809 192843616 /nfs/dbraw/zinc/84/36/16/192843616.db2.gz KTBNOGZLSZDXSZ-UHFFFAOYSA-N 1 0 320.260 2.062 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599940388 359623539 /nfs/dbraw/zinc/62/35/39/359623539.db2.gz ONHWJOAIIFZRQB-RHSMWYFYSA-N 1 0 312.417 2.396 10 30 DEEERO C#CCOc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000188106136 200195256 /nfs/dbraw/zinc/19/52/56/200195256.db2.gz XAFUDNPAHOTZHD-OAHLLOKOSA-N 1 0 313.401 2.401 10 30 DEEERO C=C(C)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)OC ZINC000601781938 360145797 /nfs/dbraw/zinc/14/57/97/360145797.db2.gz MNXJTYZIGZNMIS-GOEBONIOSA-N 1 0 322.449 2.265 10 30 DEEERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1C ZINC000189309370 200379869 /nfs/dbraw/zinc/37/98/69/200379869.db2.gz QWMVERKQGMWDRJ-CJNGLKHVSA-N 1 0 301.390 2.244 10 30 DEEERO C[NH+](C)CC1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000442741710 238069366 /nfs/dbraw/zinc/06/93/66/238069366.db2.gz VZJHRWZUTWOZEQ-UHFFFAOYSA-N 1 0 306.454 2.300 10 30 DEEERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3n2CC#N)C1 ZINC000609357435 361305614 /nfs/dbraw/zinc/30/56/14/361305614.db2.gz IOUXNXSDQWWYOM-AWEZNQCLSA-N 1 0 310.401 2.236 10 30 DEEERO C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000193694551 201104907 /nfs/dbraw/zinc/10/49/07/201104907.db2.gz QIIREPMTIDNWJA-IRXDYDNUSA-N 1 0 306.369 2.128 10 30 DEEERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccnc(C#N)c1 ZINC000193826900 201129387 /nfs/dbraw/zinc/12/93/87/201129387.db2.gz YAJCNPIZGYSICH-KDOFPFPSSA-N 1 0 320.396 2.204 10 30 DEEERO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)C1=O ZINC000619620821 363842682 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C[C@@H](NS(=O)(=O)c1ccc(C#CC[NH3+])cc1)c1ccsc1 ZINC000061372083 184169681 /nfs/dbraw/zinc/16/96/81/184169681.db2.gz PZLKMNHVMIKGBI-GFCCVEGCSA-N 1 0 320.439 2.098 10 30 DEEERO CC1(C)CC(=O)N(c2cc(C#CC[NH3+])ccc2Cl)C(=O)C1 ZINC000061826048 184188682 /nfs/dbraw/zinc/18/86/82/184188682.db2.gz KYEUNVXSDPBNKX-UHFFFAOYSA-N 1 0 304.777 2.330 10 30 DEEERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)n1cnc(C#N)n1 ZINC000061842028 184189610 /nfs/dbraw/zinc/18/96/10/184189610.db2.gz FPJJRAPQIJIOEF-YPMHNXCESA-N 1 0 320.194 2.239 10 30 DEEERO OCCC#Cc1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000062941480 184261609 /nfs/dbraw/zinc/26/16/09/184261609.db2.gz MHEBHXYKMQZDAF-OAHLLOKOSA-N 1 0 304.459 2.152 10 30 DEEERO OCC#Cc1ccsc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062982338 184264035 /nfs/dbraw/zinc/26/40/35/184264035.db2.gz RPFZDHPLAXVNJJ-INIZCTEOSA-N 1 0 304.459 2.152 10 30 DEEERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)[C@@H](C)CC#N)cc1 ZINC000063096521 184270894 /nfs/dbraw/zinc/27/08/94/184270894.db2.gz OOECDYNNZACNNP-STQMWFEESA-N 1 0 309.435 2.280 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1sccc1C#N ZINC000247559045 145140966 /nfs/dbraw/zinc/14/09/66/145140966.db2.gz ZWRHHEHAXYHGMS-JSGCOSHPSA-N 1 0 318.446 2.117 10 30 DEEERO CC1=CC[N@H+](CCNC(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000358448392 147136064 /nfs/dbraw/zinc/13/60/64/147136064.db2.gz FCXJNIRMECTMIN-UHFFFAOYSA-N 1 0 302.353 2.471 10 30 DEEERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000371766029 148138698 /nfs/dbraw/zinc/13/86/98/148138698.db2.gz ODIGTHPKCKIRFL-IAGOWNOFSA-N 1 0 300.402 2.310 10 30 DEEERO C=CCOc1ccc(CN2CC[NH+](CCOCC)CC2)cc1 ZINC000127420189 401734207 /nfs/dbraw/zinc/73/42/07/401734207.db2.gz IEDAOKHHZQYTHJ-UHFFFAOYSA-N 1 0 304.434 2.406 10 30 DEEERO C=CC1CC[NH+](CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000111258965 401704932 /nfs/dbraw/zinc/70/49/32/401704932.db2.gz SHQRUAFIWPVLQT-UHFFFAOYSA-N 1 0 313.445 2.063 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128530647 401781603 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C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(n2ccnc2)CC1 ZINC000101862904 402156847 /nfs/dbraw/zinc/15/68/47/402156847.db2.gz BDBZQUNKWSJBDL-CQSZACIVSA-N 1 0 324.384 2.386 10 30 DEEERO C=CCN1CCC([NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)CC1 ZINC000186325411 402421698 /nfs/dbraw/zinc/42/16/98/402421698.db2.gz AVMXIFUOEFTLDS-DLBZAZTESA-N 1 0 308.466 2.201 10 30 DEEERO CCN(CCC#N)C(=O)CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245406517 402456879 /nfs/dbraw/zinc/45/68/79/402456879.db2.gz XPDAZFITEXFMGB-WBVHZDCISA-N 1 0 315.417 2.211 10 30 DEEERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C#N)c1C ZINC000178573063 402513279 /nfs/dbraw/zinc/51/32/79/402513279.db2.gz KZISHXVLRVSKEO-HNNXBMFYSA-N 1 0 316.405 2.099 10 30 DEEERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCOc3ccc(C#N)cc3)[C@H]2C1 ZINC000246034683 402504772 /nfs/dbraw/zinc/50/47/72/402504772.db2.gz ACFFGPIUWLXLAY-FGTMMUONSA-N 1 0 316.401 2.205 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246977971 402551628 /nfs/dbraw/zinc/55/16/28/402551628.db2.gz 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CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000330308006 404621888 /nfs/dbraw/zinc/62/18/88/404621888.db2.gz SNJYRKDXEFKWMO-HRCADAONSA-N 1 0 320.437 2.421 10 30 DEEERO C=CCCS(=O)(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000366794775 404849198 /nfs/dbraw/zinc/84/91/98/404849198.db2.gz MNPUETGQNASWJS-LSDHHAIUSA-N 1 0 312.410 2.066 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000424298072 405060631 /nfs/dbraw/zinc/06/06/31/405060631.db2.gz RXJKQFKHFSZKST-DZKIICNBSA-N 1 0 309.431 2.030 10 30 DEEERO C=C(C)C(C)(C)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000424660153 405142102 /nfs/dbraw/zinc/14/21/02/405142102.db2.gz IVTRCVWLUQTPEC-MRXNPFEDSA-N 1 0 307.482 2.217 10 30 DEEERO CC[NH+]1C[C@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000408468079 405213245 /nfs/dbraw/zinc/21/32/45/405213245.db2.gz PTZQZJSYTXPFBP-HOTGVXAUSA-N 1 0 320.481 2.086 10 30 DEEERO C=C(C)C(C)(C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000424757005 405168965 /nfs/dbraw/zinc/16/89/65/405168965.db2.gz SVWITISAPUZXFU-SJPCQFCGSA-N 1 0 319.493 2.358 10 30 DEEERO C=CCC1(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CCCC1 ZINC000419504736 405253472 /nfs/dbraw/zinc/25/34/72/405253472.db2.gz HJYOZOVYUDCODP-CVEARBPZSA-N 1 0 323.481 2.219 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000425847926 405323941 /nfs/dbraw/zinc/32/39/41/405323941.db2.gz DHHPOKUKKXFTLE-HOCLYGCPSA-N 1 0 309.454 2.093 10 30 DEEERO C=CCC1(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CCOCC1 ZINC000638671133 405609380 /nfs/dbraw/zinc/60/93/80/405609380.db2.gz MGHBQZVAVWXFFW-UHFFFAOYSA-N 1 0 316.401 2.480 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633321276 405571419 /nfs/dbraw/zinc/57/14/19/405571419.db2.gz ZQAOGGGAYFFXDF-HOTGVXAUSA-N 1 0 321.465 2.237 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@]12CCOC2)C(C)C ZINC000422171998 405661678 /nfs/dbraw/zinc/66/16/78/405661678.db2.gz NSVKCLAMVQFIKB-FUHWJXTLSA-N 1 0 321.465 2.259 10 30 DEEERO C=CCOc1ccccc1C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000529668334 405763293 /nfs/dbraw/zinc/76/32/93/405763293.db2.gz JOPYBQZHDQADLE-HDICACEKSA-N 1 0 305.418 2.064 10 30 DEEERO C=CCC1(C(=O)N2CCC([N@H+](C)CCO)CC2)CCCCC1 ZINC000450412297 405884485 /nfs/dbraw/zinc/88/44/85/405884485.db2.gz PXGMBYAZVAWSJZ-UHFFFAOYSA-N 1 0 308.466 2.428 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N(CCC)[C@@H]1CC[N@H+](C)C1 ZINC000632651499 406215424 /nfs/dbraw/zinc/21/54/24/406215424.db2.gz SLGNFKHKUYUMQB-OAHLLOKOSA-N 1 0 323.481 2.038 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634721085 406245771 /nfs/dbraw/zinc/24/57/71/406245771.db2.gz UDPLZGLSKHCKNP-QWHCGFSZSA-N 1 0 320.216 2.260 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000637325285 406259987 /nfs/dbraw/zinc/25/99/87/406259987.db2.gz SBLINDMOGYNUKB-HNNXBMFYSA-N 1 0 311.470 2.341 10 30 DEEERO C=CCOc1ccccc1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634748044 406262517 /nfs/dbraw/zinc/26/25/17/406262517.db2.gz KMHAKXHTMSZQDL-HDICACEKSA-N 1 0 300.402 2.323 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000633015897 406354302 /nfs/dbraw/zinc/35/43/02/406354302.db2.gz IBDYXONJNTXMMB-UHFFFAOYSA-N 1 0 317.433 2.453 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000632898195 406311839 /nfs/dbraw/zinc/31/18/39/406311839.db2.gz QZCSLHKLTQPEFJ-UHFFFAOYSA-N 1 0 311.470 2.390 10 30 DEEERO C=CCOc1ccccc1CNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000637993903 406513948 /nfs/dbraw/zinc/51/39/48/406513948.db2.gz OQLMPTNSXLJNRR-GOSISDBHSA-N 1 0 318.417 2.026 10 30 DEEERO C=CCC1(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000638419281 406762061 /nfs/dbraw/zinc/76/20/61/406762061.db2.gz GGTQOTNEFJJASD-KRWDZBQOSA-N 1 0 315.461 2.451 10 30 DEEERO C=C(C)CN1CCC([NH2+]C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000573437463 406773438 /nfs/dbraw/zinc/77/34/38/406773438.db2.gz BQHRUJHZWABSOI-GOSISDBHSA-N 1 0 318.461 2.365 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000132432893 196255489 /nfs/dbraw/zinc/25/54/89/196255489.db2.gz UHEWMPCQHKSMSH-GZMMTYOYSA-N 1 0 306.163 2.163 10 30 DEEERO CC[NH2+][C@@H]1CCN(c2ccc(Br)cc2C#N)C1=O ZINC000133026841 196306353 /nfs/dbraw/zinc/30/63/53/196306353.db2.gz KPDSVJRTLZZUFS-LLVKDONJSA-N 1 0 308.179 2.036 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(c2cccc(Cl)c2)CC1 ZINC000172549911 224758183 /nfs/dbraw/zinc/75/81/83/224758183.db2.gz KNKFJKXRCBITPJ-AWEZNQCLSA-N 1 0 307.825 2.455 10 30 DEEERO Cc1nnc(CNC(N[C@H](C)C(C)C)=[NH+]C2CCCC2)n1C ZINC000261993049 225261737 /nfs/dbraw/zinc/26/17/37/225261737.db2.gz RUWUFFILYGJSJU-GFCCVEGCSA-N 1 0 306.458 2.146 10 30 DEEERO [NH2+]=C(NCCc1cccc2cccnc21)N1CCSCC1 ZINC000262330157 225269519 /nfs/dbraw/zinc/26/95/19/225269519.db2.gz ROBYJHYRMACRIL-UHFFFAOYSA-N 1 0 300.431 2.141 10 30 DEEERO [NH2+]=C(NCC1CCC1)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000262490488 225276017 /nfs/dbraw/zinc/27/60/17/225276017.db2.gz USCYVSQOHOXDCT-DLBZAZTESA-N 1 0 309.417 2.433 10 30 DEEERO Cc1[nH]c2ccc(CNC(=[NH2+])NC[C@@H]3CCCO3)cc2c1C ZINC000261718247 225254546 /nfs/dbraw/zinc/25/45/46/225254546.db2.gz FKKCDDVAVPWWKR-AWEZNQCLSA-N 1 0 300.406 2.368 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000333261849 226104307 /nfs/dbraw/zinc/10/43/07/226104307.db2.gz UPYLCQCKFWBCEN-OFQRWUPVSA-N 1 0 304.438 2.385 10 30 DEEERO N#CCCn1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c(-c2ccccc2)n1 ZINC000368800997 227020199 /nfs/dbraw/zinc/02/01/99/227020199.db2.gz UXCPWAFBKDPBII-QGZVFWFLSA-N 1 0 322.412 2.420 10 30 DEEERO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000285001660 424891652 /nfs/dbraw/zinc/89/16/52/424891652.db2.gz YHCLNVIZYPSXMI-KSZLIROESA-N 1 0 318.392 2.449 10 30 DEEERO CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333160266 268894398 /nfs/dbraw/zinc/89/43/98/268894398.db2.gz NUJYXZKMZFIIMJ-KBPBESRZSA-N 1 0 314.389 2.030 10 30 DEEERO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCn2cncc2C1 ZINC000330068541 279712922 /nfs/dbraw/zinc/71/29/22/279712922.db2.gz VLIJKHOFHHGNFT-WLYUNCDWSA-N 1 0 302.422 2.419 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000572602083 332657874 /nfs/dbraw/zinc/65/78/74/332657874.db2.gz IFYHRYCVFJKUBA-HOTGVXAUSA-N 1 0 307.434 2.250 10 30 DEEERO C=CCCS(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000119423202 333352085 /nfs/dbraw/zinc/35/20/85/333352085.db2.gz IKTZNKZTXMBQNS-UHFFFAOYSA-N 1 0 308.447 2.278 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000184806297 337200357 /nfs/dbraw/zinc/20/03/57/337200357.db2.gz YSHZQZQJSPGKOP-AWEZNQCLSA-N 1 0 318.417 2.474 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000185501373 337248657 /nfs/dbraw/zinc/24/86/57/337248657.db2.gz JASTWQBRVVQNTA-IRXDYDNUSA-N 1 0 307.482 2.217 10 30 DEEERO C[NH+]=C(NCc1cc(F)ccc1SC)NC[C@@H]1CCOC1 ZINC000261611757 337607823 /nfs/dbraw/zinc/60/78/23/337607823.db2.gz ATTZNXSOGKVYLZ-NSHDSACASA-N 1 0 311.426 2.249 10 30 DEEERO C=CCSCCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000565479028 341528550 /nfs/dbraw/zinc/52/85/50/341528550.db2.gz DMGSAHPEPYRERP-HNNXBMFYSA-N 1 0 305.447 2.173 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418692388 526348196 /nfs/dbraw/zinc/34/81/96/526348196.db2.gz FRTNKAHBSTVYJM-VXGBXAGGSA-N 1 0 306.366 2.028 10 30 DEEERO C[NH+]=C(NCc1nnc(C)n1C)N[C@H](C)[C@H](C)C1CCCCC1 ZINC000261982056 526392132 /nfs/dbraw/zinc/39/21/32/526392132.db2.gz PCHWLRSVOUUWFG-QWHCGFSZSA-N 1 0 320.485 2.393 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000368750946 526632471 /nfs/dbraw/zinc/63/24/71/526632471.db2.gz PUOMMYDMMPZWFB-INIZCTEOSA-N 1 0 301.434 2.198 10 30 DEEERO C#CCC(CC#C)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000376664099 526672861 /nfs/dbraw/zinc/67/28/61/526672861.db2.gz BINUJZSVMHVQCF-VQTJNVASSA-N 1 0 320.436 2.382 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000437766016 526774300 /nfs/dbraw/zinc/77/43/00/526774300.db2.gz UNMBWYPYTDJSCA-SJORKVTESA-N 1 0 323.481 2.389 10 30 DEEERO C=CCOc1ccc(CC(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000294447415 526856295 /nfs/dbraw/zinc/85/62/95/526856295.db2.gz CVRSNMZIVBZNTF-INIZCTEOSA-N 1 0 302.418 2.347 10 30 DEEERO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)cc1 ZINC000340747591 526860867 /nfs/dbraw/zinc/86/08/67/526860867.db2.gz WRAOVHPXRKSIJR-INIZCTEOSA-N 1 0 304.434 2.404 10 30 DEEERO C=C(Cl)CNC(NC[C@H](O)c1ccc(Cl)s1)=[NH+]C ZINC000262775394 526884932 /nfs/dbraw/zinc/88/49/32/526884932.db2.gz JBPVNEJTWILTIN-QMMMGPOBSA-N 1 0 308.234 2.352 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000341278965 526889923 /nfs/dbraw/zinc/88/99/23/526889923.db2.gz VFXBFMMCXKOPIS-WBVHZDCISA-N 1 0 307.434 2.499 10 30 DEEERO C#CCOc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)cc1 ZINC000246879473 527096413 /nfs/dbraw/zinc/09/64/13/527096413.db2.gz FUJORKISGAIOFR-SJORKVTESA-N 1 0 312.413 2.397 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000296686437 527161579 /nfs/dbraw/zinc/16/15/79/527161579.db2.gz SVRXSKSBROHQTF-JZXOWHBKSA-N 1 0 313.445 2.355 10 30 DEEERO C=CC[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000368815215 527203994 /nfs/dbraw/zinc/20/39/94/527203994.db2.gz AMOATRAPTLLAGC-MSOLQXFVSA-N 1 0 316.445 2.403 10 30 DEEERO C=CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000292572425 527244489 /nfs/dbraw/zinc/24/44/89/527244489.db2.gz LHAAVAJBKWWDQP-HZPDHXFCSA-N 1 0 308.447 2.317 10 30 DEEERO C=CCCC[C@H](C)[N@@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000340945069 527273691 /nfs/dbraw/zinc/27/36/91/527273691.db2.gz CBDHLIGUUGVMNC-JKSUJKDBSA-N 1 0 324.465 2.465 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000247027918 527626482 /nfs/dbraw/zinc/62/64/82/527626482.db2.gz MEVBYFREHVARIH-NVXWUHKLSA-N 1 0 316.449 2.245 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374209196 527627903 /nfs/dbraw/zinc/62/79/03/527627903.db2.gz ARGOPGBDTUBWER-CQSZACIVSA-N 1 0 302.422 2.178 10 30 DEEERO CCOCC[N@@H+]1CCN(CC#Cc2ccccc2)C[C@@H]1CC ZINC000192001843 528747968 /nfs/dbraw/zinc/74/79/68/528747968.db2.gz TYOHVGTZVNJORS-IBGZPJMESA-N 1 0 300.446 2.471 10 30 DEEERO CC[NH+]=C(NC1CCC1)N[C@@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000262826307 528802636 /nfs/dbraw/zinc/80/26/36/528802636.db2.gz ZULFONKYFCOOFB-UKRRQHHQSA-N 1 0 308.470 2.177 10 30 DEEERO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)NC1CCCCC1 ZINC000262444651 528811533 /nfs/dbraw/zinc/81/15/33/528811533.db2.gz VGWOVXUMTUEXDM-AWEZNQCLSA-N 1 0 318.469 2.037 10 30 DEEERO CC[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)N[C@@H]1C[C@H]1C ZINC000262427441 528813890 /nfs/dbraw/zinc/81/38/90/528813890.db2.gz DCFFJNYGALGBQM-BBBLOLIVSA-N 1 0 301.843 2.398 10 30 DEEERO CC[NH+]=C(NC[C@]1(C)CCOC1)N[C@H]1CCOc2ccccc21 ZINC000262801334 528815769 /nfs/dbraw/zinc/81/57/69/528815769.db2.gz QVKZGSXAHPEALZ-YJBOKZPZSA-N 1 0 317.433 2.492 10 30 DEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261962318 528820413 /nfs/dbraw/zinc/82/04/13/528820413.db2.gz KOCAZAMYUNBQQS-NWANDNLSSA-N 1 0 303.454 2.285 10 30 DEEERO CC(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000261817740 528832655 /nfs/dbraw/zinc/83/26/55/528832655.db2.gz KAQIFFZOHDRDBG-KMFMINBZSA-N 1 0 317.433 2.476 10 30 DEEERO CN(CC[NH2+]Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000123425070 536387675 /nfs/dbraw/zinc/38/76/75/536387675.db2.gz QSHHDTUHDNLWBP-UHFFFAOYSA-N 1 0 319.412 2.428 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc([S@](C)=O)cc1 ZINC000121463333 650129172 /nfs/dbraw/zinc/12/91/72/650129172.db2.gz WGCXHJPMPFQTIA-JLCFBVMHSA-N 1 0 321.442 2.315 10 30 DEEERO CC[N@H+](CCNC(=O)NCc1ccc(C#N)cc1F)C(C)C ZINC000729857563 640847456 /nfs/dbraw/zinc/84/74/56/640847456.db2.gz AUJUQQGSCIDTSI-UHFFFAOYSA-N 1 0 306.385 2.227 10 30 DEEERO C=CCn1c(C2CC2)nn(CN2CC[C@H]([NH+](C)C)C2)c1=S ZINC000170843653 648354224 /nfs/dbraw/zinc/35/42/24/648354224.db2.gz ABRZICRGMBKMTJ-ZDUSSCGKSA-N 1 0 307.467 2.071 10 30 DEEERO N#CCSCC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183198511 649046089 /nfs/dbraw/zinc/04/60/89/649046089.db2.gz HAMOZQQSIDMOOX-OAHLLOKOSA-N 1 0 304.415 2.451 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1COc2ccccc21 ZINC000121393882 649476245 /nfs/dbraw/zinc/47/62/45/649476245.db2.gz GKZAWEXBUPKAJF-ZBFHGGJFSA-N 1 0 301.386 2.440 10 30 DEEERO CC[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)Oc1ccccc1F ZINC000304671654 685257796 /nfs/dbraw/zinc/25/77/96/685257796.db2.gz CGEPTZRVDKQRIR-OLZOCXBDSA-N 1 0 309.385 2.066 10 30 DEEERO COC(=O)c1cccc(CNC(=[NH2+])NCCc2cccs2)c1 ZINC000305003919 685264378 /nfs/dbraw/zinc/26/43/78/685264378.db2.gz OPBYXIKBAZYQKF-UHFFFAOYSA-N 1 0 317.414 2.182 10 30 DEEERO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119036216 684076189 /nfs/dbraw/zinc/07/61/89/684076189.db2.gz RVENQJDYFUWQBN-SWLSCSKDSA-N 1 0 312.435 2.036 10 30 DEEERO CCCC(=O)N1CCC[C@H]1C(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC000119424307 684081852 /nfs/dbraw/zinc/08/18/52/684081852.db2.gz YVBDXCRARNUXJL-CVEARBPZSA-N 1 0 322.449 2.054 10 30 DEEERO COc1cccc(NC(=[NH2+])NC[C@H]2COc3ccccc3O2)c1 ZINC000303711421 685232975 /nfs/dbraw/zinc/23/29/75/685232975.db2.gz PKODZZUCQZYBRF-AWEZNQCLSA-N 1 0 313.357 2.262 10 30 DEEERO Cc1cccc(NC(=[NH2+])N[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000303894280 685239233 /nfs/dbraw/zinc/23/92/33/685239233.db2.gz SKDXIOBKVPTJTQ-LBPRGKRZSA-N 1 0 300.328 2.358 10 30 DEEERO CC(C)c1ccccc1NC(=O)[C@@H](C)[N+]12CCN(CC1)CC2 ZINC000015454116 717111973 /nfs/dbraw/zinc/11/19/73/717111973.db2.gz IQDMYFXINYELKW-OAHLLOKOSA-O 1 0 302.442 2.283 10 30 DEEERO C[C@@H](NC(=O)C[N+]12CCN(CC1)CC2)c1ccc2ccccc2c1 ZINC000029221647 717116981 /nfs/dbraw/zinc/11/69/81/717116981.db2.gz VSYNLYAKZPQOHH-MRXNPFEDSA-O 1 0 324.448 2.163 10 30 DEEERO Cc1ccc(NC(=O)[C@H](C)[N+]23CCN(CC2)CC3)c(Cl)c1 ZINC000029225967 717117246 /nfs/dbraw/zinc/11/72/46/717117246.db2.gz WYZRNERJYKWNIQ-ZDUSSCGKSA-O 1 0 308.833 2.121 10 30 DEEERO Cc1ccccc1[C@@H](O)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123740540 799143717 /nfs/dbraw/zinc/14/37/17/799143717.db2.gz DHOWEAPQCVQBOG-KRWDZBQOSA-N 1 0 306.369 2.338 10 30 DEEERO C=CC[C@@H](CO)[NH2+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000720783912 1086132040 /nfs/dbraw/zinc/13/20/40/1086132040.db2.gz SUEGCDCTYXSMJT-SJORKVTESA-N 1 0 318.417 2.314 10 30 DEEERO C#CCC[C@H](O)C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000717848985 1091324391 /nfs/dbraw/zinc/32/43/91/1091324391.db2.gz DWJPZNGUGTUAHH-CABCVRRESA-N 1 0 312.454 2.147 10 30 DEEERO C=C(C)CN(CC)S(=O)(=O)c1ccc(C[NH2+]CCC)o1 ZINC000088543382 185256141 /nfs/dbraw/zinc/25/61/41/185256141.db2.gz BZYZVZIMENURMF-UHFFFAOYSA-N 1 0 300.424 2.366 10 30 DEEERO C=CCN(C)S(=O)(=O)c1cc(Cl)cc(C[NH3+])c1Cl ZINC000166045618 197686471 /nfs/dbraw/zinc/68/64/71/197686471.db2.gz KANNBZDRWHXUQL-UHFFFAOYSA-N 1 0 309.218 2.259 10 30 DEEERO CC[C@H]([NH3+])Cc1cccc(Cl)c1OCC(=O)NCCC#N ZINC000166264570 197689936 /nfs/dbraw/zinc/68/99/36/197689936.db2.gz POEVMWGWKWOPDV-LBPRGKRZSA-N 1 0 309.797 2.028 10 30 DEEERO N#Cc1ccc(NC(=O)CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000108864923 185537486 /nfs/dbraw/zinc/53/74/86/185537486.db2.gz PUAOOWMSQWCEDF-UHFFFAOYSA-N 1 0 312.417 2.057 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@H](O)COc2c(OC)cccc2OC)C1 ZINC000625700561 365875120 /nfs/dbraw/zinc/87/51/20/365875120.db2.gz KGQKLPSUXJKCTK-GJZGRUSLSA-N 1 0 321.417 2.342 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000625702121 365875348 /nfs/dbraw/zinc/87/53/48/365875348.db2.gz DFDXSPWINJAJIW-NVXWUHKLSA-N 1 0 305.418 2.471 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000625705149 365876766 /nfs/dbraw/zinc/87/67/66/365876766.db2.gz XNDCHPLPWCPZLO-CQSZACIVSA-N 1 0 318.417 2.218 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)C1 ZINC000625701107 365874770 /nfs/dbraw/zinc/87/47/70/365874770.db2.gz NAZJAAZWGVBSCM-ROUUACIJSA-N 1 0 314.429 2.201 10 30 DEEERO [NH3+]CC#Cc1ccc(Cn2cc(C(F)(F)F)ccc2=O)s1 ZINC000071212051 190942689 /nfs/dbraw/zinc/94/26/89/190942689.db2.gz FZDHJAZHEFUVAD-UHFFFAOYSA-N 1 0 312.316 2.287 10 30 DEEERO C[C@H]1SCCN(C(=O)c2ccc(C#CC[NH3+])c(F)c2)[C@H]1C ZINC000133675955 186005726 /nfs/dbraw/zinc/00/57/26/186005726.db2.gz KMVSEAYUSANOAB-NWDGAFQWSA-N 1 0 306.406 2.102 10 30 DEEERO [NH3+]CC#Cc1ccsc1CNC(=O)Cc1ccc(F)cc1 ZINC000148646337 186045342 /nfs/dbraw/zinc/04/53/42/186045342.db2.gz BMISUQPPCQXAGS-UHFFFAOYSA-N 1 0 302.374 2.056 10 30 DEEERO C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000617044939 363008090 /nfs/dbraw/zinc/00/80/90/363008090.db2.gz VPAGBLWSLSHBKY-GJZGRUSLSA-N 1 0 304.438 2.309 10 30 DEEERO N#C[C@@H]1CCC[C@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000332887708 539943059 /nfs/dbraw/zinc/94/30/59/539943059.db2.gz HFJQIXHEQHWAEX-ARFHVFGLSA-N 1 0 304.438 2.339 10 30 DEEERO C=CCCC[C@H](C)[NH+]1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000091514277 355600077 /nfs/dbraw/zinc/60/00/77/355600077.db2.gz MYTFSAQADSFGPX-AWEZNQCLSA-N 1 0 302.484 2.477 10 30 DEEERO Cc1ccsc1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000158826536 355960061 /nfs/dbraw/zinc/96/00/61/355960061.db2.gz JAQNLKKMLJDFAZ-UHFFFAOYSA-N 1 0 320.439 2.492 10 30 DEEERO N#Cc1csc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)c1 ZINC000184252161 356188323 /nfs/dbraw/zinc/18/83/23/356188323.db2.gz IGONNBODZPGZRE-OAHLLOKOSA-N 1 0 312.398 2.300 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000081011552 192213506 /nfs/dbraw/zinc/21/35/06/192213506.db2.gz GYLHHGHIXQQWSV-UHFFFAOYSA-N 1 0 322.412 2.075 10 30 DEEERO CC(C)[C@H](CNC(=O)c1cc(C#N)cn1C)[NH+]1CCC(C)CC1 ZINC000081012669 192214555 /nfs/dbraw/zinc/21/45/55/192214555.db2.gz RLKPMAFQOCJNDW-KRWDZBQOSA-N 1 0 316.449 2.383 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000626843533 366343517 /nfs/dbraw/zinc/34/35/17/366343517.db2.gz QXXJTSNHZANNPO-UHFFFAOYSA-N 1 0 303.406 2.063 10 30 DEEERO [NH2+]=C(NC[C@H]1CCCO1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262340681 283261027 /nfs/dbraw/zinc/26/10/27/283261027.db2.gz CKRGDLYPOYVOQQ-GIPNMCIBSA-N 1 0 311.788 2.418 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000593903994 358168691 /nfs/dbraw/zinc/16/86/91/358168691.db2.gz OPOLGURQEZWGJT-HNNXBMFYSA-N 1 0 317.389 2.499 10 30 DEEERO C=C(C)[C@@H](CO)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000594017846 358189939 /nfs/dbraw/zinc/18/99/39/358189939.db2.gz MUBZDAQIQAAMMU-ARFHVFGLSA-N 1 0 323.820 2.465 10 30 DEEERO C=CC[C@]1(C(=O)Nc2ccc(C)c(C(=O)OC)c2)CCC[NH2+]1 ZINC000595937926 358584157 /nfs/dbraw/zinc/58/41/57/358584157.db2.gz KWUFRMMVUKPZHE-QGZVFWFLSA-N 1 0 302.374 2.418 10 30 DEEERO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2cccnc2C#N)C1 ZINC000596552162 358711229 /nfs/dbraw/zinc/71/12/29/358711229.db2.gz RVHCPACQHPQWKP-QGZVFWFLSA-N 1 0 321.428 2.181 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000599526885 359517911 /nfs/dbraw/zinc/51/79/11/359517911.db2.gz VVZKBKWRKJJISF-SJORKVTESA-N 1 0 300.402 2.390 10 30 DEEERO C=C(C)C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C(=O)OC ZINC000601788102 360150526 /nfs/dbraw/zinc/15/05/26/360150526.db2.gz QMLZRQOHVDZSCS-HOTGVXAUSA-N 1 0 318.417 2.303 10 30 DEEERO C=CC[C@H]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000628489615 366864966 /nfs/dbraw/zinc/86/49/66/366864966.db2.gz BJQBOSVTBAKCOV-AWEZNQCLSA-N 1 0 303.406 2.060 10 30 DEEERO C=CCC[C@@H](CCC)[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624115208 365294271 /nfs/dbraw/zinc/29/42/71/365294271.db2.gz QGRRYFOXWPBGAN-CABCVRRESA-N 1 0 314.437 2.428 10 30 DEEERO C=CCC[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)C1CC1 ZINC000624116165 365295370 /nfs/dbraw/zinc/29/53/70/365295370.db2.gz JWXBFRYLSKNKFI-HUUCEWRRSA-N 1 0 312.421 2.037 10 30 DEEERO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000624138641 365303900 /nfs/dbraw/zinc/30/39/00/365303900.db2.gz UVQPNZZKJYSQPJ-GBJTYRQASA-N 1 0 300.468 2.181 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000624463365 365430287 /nfs/dbraw/zinc/43/02/87/365430287.db2.gz GLLAFADLKYYRBX-MRXNPFEDSA-N 1 0 323.481 2.343 10 30 DEEERO C=C1CC(C)(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)C1 ZINC000631782540 368385531 /nfs/dbraw/zinc/38/55/31/368385531.db2.gz PYSYSDBXPQTTLI-MRXNPFEDSA-N 1 0 306.450 2.446 10 30 DEEERO CC[C@H](C)CN(CC)S(=O)(=O)c1cccc(C#CC[NH3+])c1 ZINC000093265096 193223080 /nfs/dbraw/zinc/22/30/80/193223080.db2.gz FDFVWTCOMKLAAU-AWEZNQCLSA-N 1 0 308.447 2.054 10 30 DEEERO C=CCN1C(=[NH2+])NC[C@@H]1c1cc(Br)ccc1OC ZINC000093375463 193240458 /nfs/dbraw/zinc/24/04/58/193240458.db2.gz HCGWLSPMJNNOOZ-LLVKDONJSA-N 1 0 310.195 2.315 10 30 DEEERO [NH3+]CC#Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 ZINC000093975884 193332586 /nfs/dbraw/zinc/33/25/86/193332586.db2.gz FKMBWFKLXLNKNF-UHFFFAOYSA-N 1 0 301.327 2.219 10 30 DEEERO [NH3+]CC#Cc1cc(C(=O)NCc2cc(F)ccc2F)cs1 ZINC000093976504 193332840 /nfs/dbraw/zinc/33/28/40/193332840.db2.gz CEBMWECIEBWJHF-UHFFFAOYSA-N 1 0 306.337 2.267 10 30 DEEERO CN(Cc1cc(C#CC[NH3+])cs1)C(=O)c1ccc(F)cc1 ZINC000042400405 183264553 /nfs/dbraw/zinc/26/45/53/183264553.db2.gz IUHZFPJKQZXYAX-UHFFFAOYSA-N 1 0 302.374 2.470 10 30 DEEERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CCC#N)cc1 ZINC000042451300 183272077 /nfs/dbraw/zinc/27/20/77/183272077.db2.gz WVFQCZRQAHSRDM-ZDUSSCGKSA-N 1 0 309.435 2.281 10 30 DEEERO CC[N@H+](CC/C(N)=N/O)Cc1ccc(Br)cc1 ZINC000042452719 183272253 /nfs/dbraw/zinc/27/22/53/183272253.db2.gz FSEPFUIKVBWVHZ-UHFFFAOYSA-N 1 0 300.200 2.408 10 30 DEEERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N(CC#N)CC#N ZINC000043090968 183335831 /nfs/dbraw/zinc/33/58/31/183335831.db2.gz BZQXMQNQKDEENB-GXFFZTMASA-N 1 0 307.195 2.187 10 30 DEEERO C#CCNC(=O)[C@@H](C)Oc1ccc(C[C@@H]([NH3+])CC)cc1Cl ZINC000043492416 183366446 /nfs/dbraw/zinc/36/64/46/183366446.db2.gz FRNBSNWNHVJVJS-YPMHNXCESA-N 1 0 308.809 2.137 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000105676654 194118628 /nfs/dbraw/zinc/11/86/28/194118628.db2.gz AKYSILRIJFSXQJ-UHFFFAOYSA-N 1 0 314.139 2.071 10 30 DEEERO C[C@H](NC(=O)c1cc(C#N)ccn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000288581202 220257999 /nfs/dbraw/zinc/25/79/99/220257999.db2.gz NZWNPDUQTGTHBX-ZFWWWQNUSA-N 1 0 312.417 2.336 10 30 DEEERO N#Cc1ccccc1OCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805874 194133140 /nfs/dbraw/zinc/13/31/40/194133140.db2.gz UPFMJUYGCSYSRL-UHFFFAOYSA-N 1 0 323.400 2.304 10 30 DEEERO OCCC#Cc1ccsc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062941483 184261677 /nfs/dbraw/zinc/26/16/77/184261677.db2.gz MJHQXXPJKMEKEB-MRXNPFEDSA-N 1 0 304.459 2.152 10 30 DEEERO C#CC[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000270197382 208262497 /nfs/dbraw/zinc/26/24/97/208262497.db2.gz DNNXAPGTVGAUSD-ROUUACIJSA-N 1 0 309.413 2.407 10 30 DEEERO COc1ccc(C#CCO)c(C[N@@H+]2CCSC(C)(C)C2)c1 ZINC000159053786 197323045 /nfs/dbraw/zinc/32/30/45/197323045.db2.gz HHUOQSGYZHLESI-UHFFFAOYSA-N 1 0 305.443 2.366 10 30 DEEERO C=C[C@](C)(C[NH2+]C(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000158831020 197304788 /nfs/dbraw/zinc/30/47/88/197304788.db2.gz VQBWMEMKWOKBIM-CABCVRRESA-N 1 0 302.484 2.238 10 30 DEEERO Cc1c(C#CC[NH3+])cccc1C(=O)NC[C@@H]1CCCCS1 ZINC000156567738 197123478 /nfs/dbraw/zinc/12/34/78/197123478.db2.gz KSMGDYQPCQRDPU-HNNXBMFYSA-N 1 0 302.443 2.321 10 30 DEEERO N#Cc1c(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)cn2ccccc12 ZINC000374541342 148258199 /nfs/dbraw/zinc/25/81/99/148258199.db2.gz MBRUHONKQPVWDE-ZDUSSCGKSA-N 1 0 306.373 2.309 10 30 DEEERO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(F)c(F)c1 ZINC000007018593 401735310 /nfs/dbraw/zinc/73/53/10/401735310.db2.gz KOYSAECJTOAHGD-HWPZZCPQSA-N 1 0 307.344 2.424 10 30 DEEERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(OCC#N)cc1 ZINC000110630917 401692505 /nfs/dbraw/zinc/69/25/05/401692505.db2.gz LOGCKXDCCVUEIL-OAHLLOKOSA-N 1 0 315.417 2.122 10 30 DEEERO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000135254739 401932157 /nfs/dbraw/zinc/93/21/57/401932157.db2.gz GRZCRCJZQGYVHL-KRWDZBQOSA-N 1 0 313.445 2.394 10 30 DEEERO C#CCOc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151278427 402027602 /nfs/dbraw/zinc/02/76/02/402027602.db2.gz UJWWFEIZLGKCLA-FUHWJXTLSA-N 1 0 316.445 2.196 10 30 DEEERO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000123072984 402108676 /nfs/dbraw/zinc/10/86/76/402108676.db2.gz OCVJIKUCCQTMCR-WMLDXEAASA-N 1 0 314.433 2.301 10 30 DEEERO C#CCOC[C@H](O)C[N@@H+](Cc1ccc(C)s1)C[C@@H]1CCCO1 ZINC000104974069 402205808 /nfs/dbraw/zinc/20/58/08/402205808.db2.gz ZSQHDMSYINSOHY-CVEARBPZSA-N 1 0 323.458 2.048 10 30 DEEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC2CCSCC2)c1 ZINC000229255883 402341922 /nfs/dbraw/zinc/34/19/22/402341922.db2.gz IKNSNYHVXATTHH-UHFFFAOYSA-N 1 0 324.471 2.065 10 30 DEEERO CC(C)C[C@H](CO)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000185320523 402343448 /nfs/dbraw/zinc/34/34/48/402343448.db2.gz OPVVBTPGTCDUET-MRXNPFEDSA-N 1 0 303.406 2.226 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000176940233 402352853 /nfs/dbraw/zinc/35/28/53/402352853.db2.gz RQEQVZNXCCACEB-UHFFFAOYSA-N 1 0 314.433 2.235 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000177012359 402359149 /nfs/dbraw/zinc/35/91/49/402359149.db2.gz XGGZPQRNDMRMLO-ZBFHGGJFSA-N 1 0 315.417 2.268 10 30 DEEERO C[C@H]1C[C@H](NC(=O)c2cc(C#N)cn2C)C[N@@H+]1Cc1ccccc1 ZINC000177450269 402403834 /nfs/dbraw/zinc/40/38/34/402403834.db2.gz AUFAMSIKLKMBDE-YOEHRIQHSA-N 1 0 322.412 2.290 10 30 DEEERO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)cn2C)C[N@@H+]1Cc1ccccc1 ZINC000177450300 402403909 /nfs/dbraw/zinc/40/39/09/402403909.db2.gz AUFAMSIKLKMBDE-WMLDXEAASA-N 1 0 322.412 2.290 10 30 DEEERO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)cn2C)C[N@@H+]1Cc1ccccc1 ZINC000177450283 402403987 /nfs/dbraw/zinc/40/39/87/402403987.db2.gz AUFAMSIKLKMBDE-RHSMWYFYSA-N 1 0 322.412 2.290 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000186199606 402409623 /nfs/dbraw/zinc/40/96/23/402409623.db2.gz PPQAREVXKGRIAF-GDBMZVCRSA-N 1 0 319.449 2.352 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c(F)cc(C#N)cc1F ZINC000246124272 402511799 /nfs/dbraw/zinc/51/17/99/402511799.db2.gz BKIRVYGJOKKXNX-JQWIXIFHSA-N 1 0 305.328 2.145 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC000187504633 402503173 /nfs/dbraw/zinc/50/31/73/402503173.db2.gz AVSOBVTVPAHINK-HOCLYGCPSA-N 1 0 309.454 2.093 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000249501579 402631358 /nfs/dbraw/zinc/63/13/58/402631358.db2.gz AOQVSSNGSIGACO-GJZGRUSLSA-N 1 0 315.417 2.174 10 30 DEEERO C[NH+](C)Cc1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000173892680 402717380 /nfs/dbraw/zinc/71/73/80/402717380.db2.gz MLVJKPCYZGKQQO-UHFFFAOYSA-N 1 0 323.396 2.429 10 30 DEEERO C[C@H](C(=O)NCCOc1ccc(C#N)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253546372 402668007 /nfs/dbraw/zinc/66/80/07/402668007.db2.gz IPBSXETXULZADE-QLFBSQMISA-N 1 0 315.417 2.315 10 30 DEEERO C=CCC1(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCC1 ZINC000191455655 402671113 /nfs/dbraw/zinc/67/11/13/402671113.db2.gz GGHASMTZLHUIPN-QGZVFWFLSA-N 1 0 319.493 2.361 10 30 DEEERO C=C(C)CN(C)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000183045355 402735081 /nfs/dbraw/zinc/73/50/81/402735081.db2.gz OPZYFZCEDAMRCH-UHFFFAOYSA-N 1 0 301.434 2.477 10 30 DEEERO C[NH+](C)[C@H](CNC(=O)c1ccnc(C#N)c1)C1CCCCC1 ZINC000192683953 402744574 /nfs/dbraw/zinc/74/45/74/402744574.db2.gz DACKKSNKLKOUIN-MRXNPFEDSA-N 1 0 300.406 2.194 10 30 DEEERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C#N)s1)CC2 ZINC000183319335 402756024 /nfs/dbraw/zinc/75/60/24/402756024.db2.gz UEXCINSUUFSWIF-MNOVXSKESA-N 1 0 301.419 2.439 10 30 DEEERO Cc1ccc([C@@H](CNC(=O)c2ccnc(C#N)c2)[NH+]2CCCC2)o1 ZINC000193066330 402763008 /nfs/dbraw/zinc/76/30/08/402763008.db2.gz WWMKNZJTZCOUQZ-MRXNPFEDSA-N 1 0 324.384 2.422 10 30 DEEERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000266392053 402969007 /nfs/dbraw/zinc/96/90/07/402969007.db2.gz ODSIKQQSMMUGFF-KRWDZBQOSA-N 1 0 316.424 2.304 10 30 DEEERO C=CC[C@@H](CO)[NH2+][C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000273433664 403004569 /nfs/dbraw/zinc/00/45/69/403004569.db2.gz LOZQNNOXHQOHSP-HOCLYGCPSA-N 1 0 320.433 2.131 10 30 DEEERO C=CCN1CC[C@@H]([NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)C1=O ZINC000281386824 403067430 /nfs/dbraw/zinc/06/74/30/403067430.db2.gz ZFCBELWIXHIWER-IUODEOHRSA-N 1 0 304.438 2.384 10 30 DEEERO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CCC)CC1 ZINC000282815662 403160237 /nfs/dbraw/zinc/16/02/37/403160237.db2.gz IIZQGZNXXYOZAE-UHFFFAOYSA-N 1 0 314.437 2.381 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCCCO ZINC000276383960 403169575 /nfs/dbraw/zinc/16/95/75/403169575.db2.gz LWEIWLISTQRWEC-CQSZACIVSA-N 1 0 310.463 2.356 10 30 DEEERO C#CCCOc1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000284218659 403254610 /nfs/dbraw/zinc/25/46/10/403254610.db2.gz ZYJLYRZZUFXZRK-WMZOPIPTSA-N 1 0 319.445 2.336 10 30 DEEERO C=CCOc1ccc(C[N@H+]2CC[C@H](C(=O)OC)C2)cc1OC ZINC000271089608 403262902 /nfs/dbraw/zinc/26/29/02/403262902.db2.gz KNALMOWXFKLDMC-AWEZNQCLSA-N 1 0 305.374 2.255 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000277851733 403263869 /nfs/dbraw/zinc/26/38/69/403263869.db2.gz YSNWUEJIMMCPIG-IBGZPJMESA-N 1 0 322.452 2.330 10 30 DEEERO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O ZINC000285017490 403276939 /nfs/dbraw/zinc/27/69/39/403276939.db2.gz GTYKCKPIAHEVTO-RTBURBONSA-N 1 0 324.399 2.446 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)N1CC=C(c2ccnn2C)CC1 ZINC000285241250 403279905 /nfs/dbraw/zinc/27/99/05/403279905.db2.gz BSQJOCQWJIEJAH-HNNXBMFYSA-N 1 0 316.449 2.322 10 30 DEEERO C#CCC(CC#C)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000287005373 403551739 /nfs/dbraw/zinc/55/17/39/403551739.db2.gz CNRFGTWTVVWJFP-UHFFFAOYSA-N 1 0 323.440 2.430 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@@H](C(CC)CC)[NH+]1CCCC1 ZINC000346939380 403608718 /nfs/dbraw/zinc/60/87/18/403608718.db2.gz ILSJMEUXBYIIQU-HOTGVXAUSA-N 1 0 311.470 2.123 10 30 DEEERO N#Cc1ccc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000301723505 403670107 /nfs/dbraw/zinc/67/01/07/403670107.db2.gz OGTGWNRUMRUJPR-CABCVRRESA-N 1 0 303.381 2.123 10 30 DEEERO N#Cc1ccc(NCCc2nccn2Cc2ccccc2)nn1 ZINC000301944111 403703991 /nfs/dbraw/zinc/70/39/91/403703991.db2.gz WLQQWEHMPHAFHQ-UHFFFAOYSA-N 1 0 304.357 2.248 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000288107068 403726243 /nfs/dbraw/zinc/72/62/43/403726243.db2.gz IZRNYORSNFBOAV-KRWDZBQOSA-N 1 0 313.445 2.357 10 30 DEEERO C#CCC(CC#C)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000288434795 403754466 /nfs/dbraw/zinc/75/44/66/403754466.db2.gz YCGUZFSUPUTGMG-UHFFFAOYSA-N 1 0 300.402 2.223 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@]2(CC(=O)OC)CCOC2)cc1 ZINC000361740801 403834884 /nfs/dbraw/zinc/83/48/84/403834884.db2.gz LWEQJIBWGGERLM-QGZVFWFLSA-N 1 0 305.374 2.063 10 30 DEEERO C[N@@H+]1CCC[C@H]2CN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC[C@H]21 ZINC000334085578 403909393 /nfs/dbraw/zinc/90/93/93/403909393.db2.gz LWAYWDGOAOVEKI-YHUYYLMFSA-N 1 0 304.438 2.194 10 30 DEEERO Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)CCC2 ZINC000328700894 404134510 /nfs/dbraw/zinc/13/45/10/404134510.db2.gz IWSZMYXAYSDJFR-GJZGRUSLSA-N 1 0 319.453 2.009 10 30 DEEERO C#Cc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000296368165 404215743 /nfs/dbraw/zinc/21/57/43/404215743.db2.gz ITSJULQPBVSZGW-SFHVURJKSA-N 1 0 313.445 2.445 10 30 DEEERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000328957106 404182335 /nfs/dbraw/zinc/18/23/35/404182335.db2.gz PEWRDPFUFPBURB-RRFJBIMHSA-N 1 0 320.437 2.329 10 30 DEEERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000329148316 404244852 /nfs/dbraw/zinc/24/48/52/404244852.db2.gz PPJMOTBWGKFANX-ZIAGYGMSSA-N 1 0 321.465 2.464 10 30 DEEERO C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@H](c2ccccc2)C1 ZINC000329514455 404361907 /nfs/dbraw/zinc/36/19/07/404361907.db2.gz CVXXTBJEROWRKE-XQLPTFJDSA-N 1 0 317.389 2.124 10 30 DEEERO Cc1nn(C)cc1[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329565910 404377953 /nfs/dbraw/zinc/37/79/53/404377953.db2.gz HIIJJMIYBOHQHX-JSGCOSHPSA-N 1 0 319.453 2.310 10 30 DEEERO C#C[C@@H](C)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000365108419 404560320 /nfs/dbraw/zinc/56/03/20/404560320.db2.gz LDUADARRUJFNPT-QFWMXSHPSA-N 1 0 317.355 2.113 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](OC)c2ccc(O)cc2)CC1 ZINC000353325854 404802829 /nfs/dbraw/zinc/80/28/29/404802829.db2.gz KOTUSKCTKKIAQT-KRWDZBQOSA-N 1 0 318.417 2.236 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000424119064 405012587 /nfs/dbraw/zinc/01/25/87/405012587.db2.gz CODZLYJWDDFLMN-RRQGHBQHSA-N 1 0 318.392 2.326 10 30 DEEERO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(C#N)n1C ZINC000451759420 405026667 /nfs/dbraw/zinc/02/66/67/405026667.db2.gz LZTBZVBVXBJUMZ-UHFFFAOYSA-N 1 0 302.422 2.235 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000424295206 405061834 /nfs/dbraw/zinc/06/18/34/405061834.db2.gz MKNXSRHQHJWBLO-JFRXWTBNSA-N 1 0 315.461 2.473 10 30 DEEERO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000452126112 405185197 /nfs/dbraw/zinc/18/51/97/405185197.db2.gz QJYPQQYGDBRVGG-PBHICJAKSA-N 1 0 322.412 2.290 10 30 DEEERO C=CCC1(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CCOCC1 ZINC000424839321 405193155 /nfs/dbraw/zinc/19/31/55/405193155.db2.gz PEBNHLGCMWPSPG-HOTGVXAUSA-N 1 0 306.450 2.445 10 30 DEEERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(C#N)n1C ZINC000448710513 405440151 /nfs/dbraw/zinc/44/01/51/405440151.db2.gz UPBJIERYIBVMKU-CQSZACIVSA-N 1 0 302.422 2.281 10 30 DEEERO C=CC[C@@]1(C(=O)NCc2ccc(C(C)(C)C)[nH]c2=O)CCC[NH2+]1 ZINC000638852679 405715487 /nfs/dbraw/zinc/71/54/87/405715487.db2.gz MHCGDRHSQXANPB-SFHVURJKSA-N 1 0 317.433 2.399 10 30 DEEERO C=CCC[C@H]1NC(=O)N(C[C@@H]2CC[N@@H+]2C2CCCCC2)C1=O ZINC000530200532 405775551 /nfs/dbraw/zinc/77/55/51/405775551.db2.gz GMDQXQSDVYUBNP-LSDHHAIUSA-N 1 0 305.422 2.280 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450214109 405783666 /nfs/dbraw/zinc/78/36/66/405783666.db2.gz GTXGXRZWDLTCCH-POHAHGRESA-N 1 0 313.445 2.010 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633956647 405928575 /nfs/dbraw/zinc/92/85/75/405928575.db2.gz JHEOHNQBDDQZQV-CVEARBPZSA-N 1 0 306.450 2.445 10 30 DEEERO C=CCc1cc(C[NH2+]CCc2cn(C)cn2)cc(OC)c1O ZINC000459655976 405999096 /nfs/dbraw/zinc/99/90/96/405999096.db2.gz GWRTUYWJEVNNAT-UHFFFAOYSA-N 1 0 301.390 2.195 10 30 DEEERO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000639309506 406036599 /nfs/dbraw/zinc/03/65/99/406036599.db2.gz MBPOQQQASNIWTI-GFCCVEGCSA-N 1 0 312.410 2.261 10 30 DEEERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000518076806 406128843 /nfs/dbraw/zinc/12/88/43/406128843.db2.gz KVDYTVAEQMYXLC-AWEZNQCLSA-N 1 0 306.454 2.442 10 30 DEEERO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000639642694 406185109 /nfs/dbraw/zinc/18/51/09/406185109.db2.gz VGJHKCADPADXSE-CRAIPNDOSA-N 1 0 323.433 2.062 10 30 DEEERO C=CCCC(C)(C)CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632640843 406209509 /nfs/dbraw/zinc/20/95/09/406209509.db2.gz FKGAYOKVQDIRIP-UHFFFAOYSA-N 1 0 302.484 2.384 10 30 DEEERO C=CCCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000569329743 406238103 /nfs/dbraw/zinc/23/81/03/406238103.db2.gz MVDYNEFTZGATNA-JKSUJKDBSA-N 1 0 309.454 2.020 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000637620257 406367886 /nfs/dbraw/zinc/36/78/86/406367886.db2.gz AVKGFPIVUFZZBJ-HUUCEWRRSA-N 1 0 311.470 2.075 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527896066 406782729 /nfs/dbraw/zinc/78/27/29/406782729.db2.gz BUMPQKLBDGNJHJ-XIRDDKMYSA-N 1 0 321.465 2.284 10 30 DEEERO C#CC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000129024552 196013303 /nfs/dbraw/zinc/01/33/03/196013303.db2.gz AELBZFRKTWVRAE-JTQLQIEISA-N 1 0 301.571 2.392 10 30 DEEERO CCN(C[C@@H](C)C#N)C(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129083602 196018425 /nfs/dbraw/zinc/01/84/25/196018425.db2.gz OWGCIFHKQLRKDH-LBPRGKRZSA-N 1 0 303.793 2.272 10 30 DEEERO C[NH2+][C@H](C)c1ccc(Br)cc1-n1cnc(C#N)n1 ZINC000129209308 196029131 /nfs/dbraw/zinc/02/91/31/196029131.db2.gz QFEWMXOXIAOVOZ-MRVPVSSYSA-N 1 0 306.167 2.182 10 30 DEEERO C[C@@H](C[C@H]1COCC[NH2+]1)Nc1ccc(Br)cc1C#N ZINC000134162287 196366763 /nfs/dbraw/zinc/36/67/63/196366763.db2.gz KEHSIVUUHBAJGC-GWCFXTLKSA-N 1 0 324.222 2.500 10 30 DEEERO C=CCNc1ncc(C(=O)N2CCC([NH+]3CCCC3)CC2)s1 ZINC000136258202 196529119 /nfs/dbraw/zinc/52/91/19/196529119.db2.gz VPMMPBSJVLXCOV-UHFFFAOYSA-N 1 0 320.462 2.441 10 30 DEEERO [NH2+]=C(NCCc1cccc(C(F)(F)F)n1)N1CCSCC1 ZINC000263074531 225291315 /nfs/dbraw/zinc/29/13/15/225291315.db2.gz HBQDCCNVYWLZJM-UHFFFAOYSA-N 1 0 318.368 2.006 10 30 DEEERO [NH2+]=C(NCc1cc(Br)cc2c1OCC2)NC1CCC1 ZINC000263179624 225291855 /nfs/dbraw/zinc/29/18/55/225291855.db2.gz UAYMFBCPAHTYMA-UHFFFAOYSA-N 1 0 324.222 2.341 10 30 DEEERO CC[NH+](CC)[C@H](CNc1nc(C)cc(C#N)n1)Cc1ccccc1 ZINC000561143522 424890011 /nfs/dbraw/zinc/89/00/11/424890011.db2.gz YGRCTTODRLYPRX-SFHVURJKSA-N 1 0 323.444 3.022 10 30 DEEERO N#Cc1cccc(CC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000531386690 268274854 /nfs/dbraw/zinc/27/48/54/268274854.db2.gz HZQPMFZLBYDLQX-UHFFFAOYSA-N 1 0 319.408 2.275 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000288341416 275378857 /nfs/dbraw/zinc/37/88/57/275378857.db2.gz CXGGOLMBVPCRSU-DOTOQJQBSA-N 1 0 300.446 2.418 10 30 DEEERO CC[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)N(C)Cc1ccc[nH]1 ZINC000262759800 275803544 /nfs/dbraw/zinc/80/35/44/275803544.db2.gz FOFLTSVGXILQCK-WBVHZDCISA-N 1 0 306.454 2.353 10 30 DEEERO C[NH+]=C(NCC1(O)CCC1)NC1CCC(C(F)(F)F)CC1 ZINC000262826344 276841104 /nfs/dbraw/zinc/84/11/04/276841104.db2.gz ZWTZZDCOYALHGH-UHFFFAOYSA-N 1 0 307.360 2.188 10 30 DEEERO C[C@@H]1CCCN(c2ncc(Br)cc2C#N)[C@H]1C[NH3+] ZINC000261591577 278485906 /nfs/dbraw/zinc/48/59/06/278485906.db2.gz XSHIRYUUZOFAGK-SKDRFNHKSA-N 1 0 309.211 2.279 10 30 DEEERO Cc1cc(C#N)ccc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000121581387 281759049 /nfs/dbraw/zinc/75/90/49/281759049.db2.gz GBHJXADZYNVPOJ-UHFFFAOYSA-N 1 0 322.412 2.466 10 30 DEEERO C=CCCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000569329742 331703594 /nfs/dbraw/zinc/70/35/94/331703594.db2.gz MVDYNEFTZGATNA-HZPDHXFCSA-N 1 0 309.454 2.020 10 30 DEEERO CC#CCN(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000297137899 335152918 /nfs/dbraw/zinc/15/29/18/335152918.db2.gz CIVDWDIINXDLGW-JKSUJKDBSA-N 1 0 321.371 2.375 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000185349958 337204423 /nfs/dbraw/zinc/20/44/23/337204423.db2.gz GVFUVVYNAJBPCM-OAHLLOKOSA-N 1 0 307.482 2.264 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000542321993 341004952 /nfs/dbraw/zinc/00/49/52/341004952.db2.gz FAZLOPQLVOAWCW-GDBMZVCRSA-N 1 0 315.417 2.185 10 30 DEEERO C=C(C)C[N@@H+](C)C[C@@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000012578695 518588977 /nfs/dbraw/zinc/58/89/77/518588977.db2.gz FAPIMLSPIPIFMH-SFHVURJKSA-N 1 0 308.466 2.428 10 30 DEEERO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCC)CC1 ZINC000453424840 534449145 /nfs/dbraw/zinc/44/91/45/534449145.db2.gz KROPALHQQQCYAT-HNNXBMFYSA-N 1 0 319.453 2.238 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C#N)c(O)c2)[C@@H](C)C1 ZINC000248868963 521712494 /nfs/dbraw/zinc/71/24/94/521712494.db2.gz BJGHDIUJUIBPKU-SWLSCSKDSA-N 1 0 301.390 2.066 10 30 DEEERO C[NH+]=C(NCCC1=CCCCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261864502 526352832 /nfs/dbraw/zinc/35/28/32/526352832.db2.gz ZRYPGFRAFNVRPI-GOSISDBHSA-N 1 0 318.465 2.054 10 30 DEEERO C[NH+]=C(NCc1nnc(C(C)C)s1)NCc1scnc1C ZINC000261718379 526391096 /nfs/dbraw/zinc/39/10/96/526391096.db2.gz IDBPOHJTXLUFOG-UHFFFAOYSA-N 1 0 324.479 2.292 10 30 DEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261853139 526395112 /nfs/dbraw/zinc/39/51/12/526395112.db2.gz YFQCSIQLMJMVPG-DGCLKSJQSA-N 1 0 321.856 2.277 10 30 DEEERO C=C(C)CNC(=[NH2+])NCc1cn(-c2ccc(F)cc2)nc1C ZINC000261983095 526577349 /nfs/dbraw/zinc/57/73/49/526577349.db2.gz IRTWALJBGBWPAD-UHFFFAOYSA-N 1 0 301.369 2.300 10 30 DEEERO C=CCNc1ncc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)s1 ZINC000245999084 526680244 /nfs/dbraw/zinc/68/02/44/526680244.db2.gz OCLJPVQWGJUBRK-OLZOCXBDSA-N 1 0 320.462 2.440 10 30 DEEERO C=C(C)Cn1c(CC2CC2)nnc1N1CC[NH+](CCC)CC1 ZINC000338805173 526728495 /nfs/dbraw/zinc/72/84/95/526728495.db2.gz IVGCBLMHMRSMOG-UHFFFAOYSA-N 1 0 303.454 2.339 10 30 DEEERO C=CCOCC[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000339064291 526771074 /nfs/dbraw/zinc/77/10/74/526771074.db2.gz CYPVWULLURMAJN-INIZCTEOSA-N 1 0 306.450 2.304 10 30 DEEERO C=CCOCCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000374745233 526776154 /nfs/dbraw/zinc/77/61/54/526776154.db2.gz WGPHRNCFWFXJPM-QGZVFWFLSA-N 1 0 323.481 2.343 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000368161151 526799314 /nfs/dbraw/zinc/79/93/14/526799314.db2.gz RVPSBYDRITWIBW-GRDNDAEWSA-N 1 0 312.429 2.296 10 30 DEEERO CC(=O)c1ccc(C#N)cc1NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000302076758 527231851 /nfs/dbraw/zinc/23/18/51/527231851.db2.gz ADMBGDGZNTWIHG-INIZCTEOSA-N 1 0 315.417 2.266 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000425851989 527493836 /nfs/dbraw/zinc/49/38/36/527493836.db2.gz HQFOCGGUIJJTBF-HOTGVXAUSA-N 1 0 309.454 2.095 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000425860598 527493980 /nfs/dbraw/zinc/49/39/80/527493980.db2.gz UIMSYMJFRLOFDU-IRXDYDNUSA-N 1 0 323.481 2.341 10 30 DEEERO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=[NH2+])NC[C@H]1CCCO1 ZINC000262306444 527894341 /nfs/dbraw/zinc/89/43/41/527894341.db2.gz MISLOPNGNCDYBV-OWCLPIDISA-N 1 0 317.433 2.316 10 30 DEEERO CCOC(=O)[C@H]1CCCN(C(NC[C@@H]2CC=CCC2)=[NH+]C)C1 ZINC000261953657 528052566 /nfs/dbraw/zinc/05/25/66/528052566.db2.gz IDPCHOAGPKLEJN-CABCVRRESA-N 1 0 307.438 2.193 10 30 DEEERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=[NH2+])NC1CC1)O[C@H](C)C2 ZINC000263107345 528350342 /nfs/dbraw/zinc/35/03/42/528350342.db2.gz AEWDIUMYOFZNLL-DGFSRKRXSA-N 1 0 315.417 2.331 10 30 DEEERO CCNC(=O)C(C)(C)CNC(=[NH+]CC)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261817443 528801908 /nfs/dbraw/zinc/80/19/08/528801908.db2.gz UCWCGTCYFLNRGQ-GASCZTMLSA-N 1 0 322.497 2.236 10 30 DEEERO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261976086 528813419 /nfs/dbraw/zinc/81/34/19/528813419.db2.gz NRNRLTKDPHLLRZ-SOUVJXGZSA-N 1 0 302.422 2.156 10 30 DEEERO CC(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000261817743 528842285 /nfs/dbraw/zinc/84/22/85/528842285.db2.gz KAQIFFZOHDRDBG-LXZKKBNFSA-N 1 0 317.433 2.476 10 30 DEEERO [NH2+]=C(NCc1ccc(O)c(F)c1)Nc1ccc2c(c1)OCCO2 ZINC000095964068 625688152 /nfs/dbraw/zinc/68/81/52/625688152.db2.gz DCCYGUMOEVLPRT-UHFFFAOYSA-N 1 0 317.320 2.229 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC000245914548 625187476 /nfs/dbraw/zinc/18/74/76/625187476.db2.gz DYIKVHYOPRSYME-ARFHVFGLSA-N 1 0 323.433 2.243 10 30 DEEERO C=C[C@@](C)(CCOC)C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000249179874 625188702 /nfs/dbraw/zinc/18/87/02/625188702.db2.gz HNHFQHGNIACIAB-WBVHZDCISA-N 1 0 313.438 2.115 10 30 DEEERO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N(C)Cc1ccc[nH]1 ZINC000262383383 639040493 /nfs/dbraw/zinc/04/04/93/639040493.db2.gz KVAHAVVKUUTOAQ-RRFJBIMHSA-N 1 0 304.438 2.226 10 30 DEEERO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CCOC)cc1 ZINC000163331481 639733083 /nfs/dbraw/zinc/73/30/83/639733083.db2.gz GHWZICOFYPFGHB-WMZOPIPTSA-N 1 0 316.445 2.460 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000195523117 643972221 /nfs/dbraw/zinc/97/22/21/643972221.db2.gz FNKMPQUGUQBGGW-IXDOHACOSA-N 1 0 317.433 2.238 10 30 DEEERO C[C@H](C#N)OCCOC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000801861841 645453127 /nfs/dbraw/zinc/45/31/27/645453127.db2.gz LSTDONUJDKDRRM-CQSZACIVSA-N 1 0 302.374 2.368 10 30 DEEERO COC(=O)C(C)(C)[C@@H]([NH2+]CCO[C@H](C)C#N)c1ccccc1 ZINC000801938306 645466651 /nfs/dbraw/zinc/46/66/51/645466651.db2.gz DIJUCQMXHVUDAP-HIFRSBDPSA-N 1 0 304.390 2.445 10 30 DEEERO C=CCOc1ccc(C=NNC(=S)NCCC[NH+](C)C)cc1 ZINC000731931199 647525346 /nfs/dbraw/zinc/52/53/46/647525346.db2.gz ZJBCCMOMXLOPIB-UHFFFAOYSA-N 1 0 320.462 2.001 10 30 DEEERO C#CCNC(=O)c1ccc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)nc1 ZINC000732922796 647713802 /nfs/dbraw/zinc/71/38/02/647713802.db2.gz KNPVVGXZBUKKGD-GASCZTMLSA-N 1 0 314.433 2.119 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1COc2ccccc21 ZINC000121393568 649474460 /nfs/dbraw/zinc/47/44/60/649474460.db2.gz GKZAWEXBUPKAJF-GDBMZVCRSA-N 1 0 301.386 2.440 10 30 DEEERO N#Cc1ccc(CNC(=[NH2+])NCCc2cccs2)c(F)c1 ZINC000304761065 685259877 /nfs/dbraw/zinc/25/98/77/685259877.db2.gz TZFAWUTVFODREB-UHFFFAOYSA-N 1 0 302.378 2.406 10 30 DEEERO CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000084501351 684003777 /nfs/dbraw/zinc/00/37/77/684003777.db2.gz WTPIYIFXMAJODB-ZFWWWQNUSA-N 1 0 309.385 2.066 10 30 DEEERO COCC[N@@H+]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C[C@@H]1C ZINC000120804097 684101019 /nfs/dbraw/zinc/10/10/19/684101019.db2.gz JTNHKCQTUIZDNC-HOTGVXAUSA-N 1 0 317.433 2.130 10 30 DEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccccc1OCC#N ZINC000194920343 685080941 /nfs/dbraw/zinc/08/09/41/685080941.db2.gz KAOIKKNMWZTGGD-CQSZACIVSA-N 1 0 303.406 2.295 10 30 DEEERO [NH2+]=C(NCCNc1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000303784959 685235148 /nfs/dbraw/zinc/23/51/48/685235148.db2.gz PYFAUSOSWPPSRW-UHFFFAOYSA-N 1 0 305.382 2.244 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NC[C@H](O)c1ccccc1F ZINC000303883468 685237606 /nfs/dbraw/zinc/23/76/06/685237606.db2.gz IPEWMWATOYYTKR-AWEZNQCLSA-N 1 0 307.394 2.068 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)Cc2ccsc2)CC1 ZINC000081398089 1081094742 /nfs/dbraw/zinc/09/47/42/1081094742.db2.gz NRZJTCYKQXKTTN-AWEZNQCLSA-N 1 0 304.459 2.483 10 30 DEEERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ncc(Br)cc1C#N ZINC000720827609 1086176778 /nfs/dbraw/zinc/17/67/78/1086176778.db2.gz DPSAGUGTNNRYSW-STQMWFEESA-N 1 0 321.222 2.389 10 30 DEEERO [NH3+]CC#Cc1ccsc1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000088436901 185250334 /nfs/dbraw/zinc/25/03/34/185250334.db2.gz YOQAWKBYVCAFLB-NSHDSACASA-N 1 0 316.348 2.473 10 30 DEEERO C=CCN(CC=C)S(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088543396 185256424 /nfs/dbraw/zinc/25/64/24/185256424.db2.gz BKUMPHKHOROEDI-UHFFFAOYSA-N 1 0 312.435 2.388 10 30 DEEERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2OCC#N)C1 ZINC000252671458 529808231 /nfs/dbraw/zinc/80/82/31/529808231.db2.gz VUUTZXRKHCMJHF-HOCLYGCPSA-N 1 0 313.401 2.145 10 30 DEEERO N#Cc1c(F)cccc1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243969 185563197 /nfs/dbraw/zinc/56/31/97/185563197.db2.gz WCPIJBMHWQNIFV-GFCCVEGCSA-N 1 0 301.243 2.178 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)C1 ZINC000625701104 365874594 /nfs/dbraw/zinc/87/45/94/365874594.db2.gz NAZJAAZWGVBSCM-MSOLQXFVSA-N 1 0 314.429 2.201 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000625704942 365877013 /nfs/dbraw/zinc/87/70/13/365877013.db2.gz VYLZRWYXGSOIKE-NVXWUHKLSA-N 1 0 318.417 2.283 10 30 DEEERO C=C(C)[C@H](CO)[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800517 365908496 /nfs/dbraw/zinc/90/84/96/365908496.db2.gz JSFXTZLIBRXHLN-YJBOKZPZSA-N 1 0 301.386 2.423 10 30 DEEERO C[C@H]1CN([C@@H](CNC(=[NH2+])NC(C)(C)C)c2cccs2)CCO1 ZINC000262477172 290882837 /nfs/dbraw/zinc/88/28/37/290882837.db2.gz QLEWUUWXXYBCQR-STQMWFEESA-N 1 0 324.494 2.213 10 30 DEEERO N#Cc1ccc(NC(=O)C2(C[NH3+])CCC2)c(Br)c1 ZINC000138749303 186019165 /nfs/dbraw/zinc/01/91/65/186019165.db2.gz UVBTZXARAZRPER-UHFFFAOYSA-N 1 0 308.179 2.388 10 30 DEEERO CC(C)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)N1CCOCC1 ZINC000181871167 186212766 /nfs/dbraw/zinc/21/27/66/186212766.db2.gz VMEGQCAXXGZILU-RHSMWYFYSA-N 1 0 315.417 2.092 10 30 DEEERO C=CC[C@H]1CCCC[C@@H]1NC(=O)CCN1CC[NH+](CC)CC1 ZINC000617040492 363006757 /nfs/dbraw/zinc/00/67/57/363006757.db2.gz VBVQXEIMAUDODU-IRXDYDNUSA-N 1 0 307.482 2.265 10 30 DEEERO CCNC(NC[C@H]1CCN(c2cccc(OC)c2)C1)=[NH+]CC ZINC000066246086 354706275 /nfs/dbraw/zinc/70/62/75/354706275.db2.gz YWYLOUQCPFLXEL-CQSZACIVSA-N 1 0 304.438 2.097 10 30 DEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000068223816 354803877 /nfs/dbraw/zinc/80/38/77/354803877.db2.gz CVWCUPPCDISZTI-ZBFHGGJFSA-N 1 0 317.433 2.418 10 30 DEEERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc(C#N)cn2C)C1 ZINC000081710432 192316271 /nfs/dbraw/zinc/31/62/71/192316271.db2.gz LJOFUJHKXBWJHN-OKILXGFUSA-N 1 0 316.449 2.383 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000626843794 366343366 /nfs/dbraw/zinc/34/33/66/366343366.db2.gz ZCUJSNQLATWCQV-UHFFFAOYSA-N 1 0 303.406 2.063 10 30 DEEERO CCO[C@@H]1CN(c2cccc(Br)c2C#N)C[C@H]1C[NH3+] ZINC000405399573 356734928 /nfs/dbraw/zinc/73/49/28/356734928.db2.gz VJDPGELVYMHDBX-QMTHXVAHSA-N 1 0 324.222 2.121 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1sccc1C#N ZINC000180840896 199216750 /nfs/dbraw/zinc/21/67/50/199216750.db2.gz OUWKQDFZVSWKNX-UONOGXRCSA-N 1 0 318.446 2.117 10 30 DEEERO C=CC[C@@]1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000595927563 358582592 /nfs/dbraw/zinc/58/25/92/358582592.db2.gz PDCFNQNQLUZMCQ-LRDDRELGSA-N 1 0 303.362 2.470 10 30 DEEERO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243124 366488241 /nfs/dbraw/zinc/48/82/41/366488241.db2.gz BMINLWHQSUGDRD-GOEBONIOSA-N 1 0 319.453 2.302 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2C(=O)OC)C1 ZINC000599526140 359516750 /nfs/dbraw/zinc/51/67/50/359516750.db2.gz FVKVVHUBVGCQQH-AWEZNQCLSA-N 1 0 316.401 2.334 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599939222 359623677 /nfs/dbraw/zinc/62/36/77/359623677.db2.gz WTYZGIMCHLQRII-SWLSCSKDSA-N 1 0 318.377 2.043 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000627735834 366604303 /nfs/dbraw/zinc/60/43/03/366604303.db2.gz DUQFDMDEWXVQQR-CQSZACIVSA-N 1 0 315.417 2.111 10 30 DEEERO CN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(C#N)cc1F ZINC000619588547 363835562 /nfs/dbraw/zinc/83/55/62/363835562.db2.gz ACRMXCLQPJLZOY-UHFFFAOYSA-N 1 0 318.396 2.325 10 30 DEEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000620306753 364013887 /nfs/dbraw/zinc/01/38/87/364013887.db2.gz POEWROFBWWDKPB-IYBDPMFKSA-N 1 0 315.417 2.345 10 30 DEEERO CC#CCCCC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620908768 364198491 /nfs/dbraw/zinc/19/84/91/364198491.db2.gz ADBKMIKGIIEUGO-INIZCTEOSA-N 1 0 306.450 2.282 10 30 DEEERO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000449308501 240339150 /nfs/dbraw/zinc/33/91/50/240339150.db2.gz XRSYIMNLCLMMHP-SOUVJXGZSA-N 1 0 302.484 2.429 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3)CC1 ZINC000623635042 365110260 /nfs/dbraw/zinc/11/02/60/365110260.db2.gz PUDXKMIOBCOCNX-CABCVRRESA-N 1 0 309.479 2.316 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000449873533 241195587 /nfs/dbraw/zinc/19/55/87/241195587.db2.gz UFZUNHKSSYSULG-QGZVFWFLSA-N 1 0 322.412 2.291 10 30 DEEERO C[C@@H](NC(=O)c1ccc(C#N)n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450520304 241917622 /nfs/dbraw/zinc/91/76/22/241917622.db2.gz UYLFFPIWSBBRCH-ZIAGYGMSSA-N 1 0 314.433 2.280 10 30 DEEERO C=CCN1C(N)=[NH+]C[C@]12CCc1cc(Br)ccc1C2 ZINC000093375174 193240784 /nfs/dbraw/zinc/24/07/84/193240784.db2.gz HJLGIISXJQHPCI-OAHLLOKOSA-N 1 0 320.234 2.493 10 30 DEEERO N#Cc1ccc2ncc(CN3CC[C@@H](C[NH+]4CCCC4)C3)n2c1 ZINC000093597393 193272367 /nfs/dbraw/zinc/27/23/67/193272367.db2.gz FWEPAESTAOZZLT-INIZCTEOSA-N 1 0 309.417 2.124 10 30 DEEERO CC[C@H](NC(=O)c1csc(C#CC[NH3+])c1)c1nccs1 ZINC000093976579 193333177 /nfs/dbraw/zinc/33/31/77/193333177.db2.gz ZIYISWGPAAZOCC-LBPRGKRZSA-N 1 0 305.428 2.396 10 30 DEEERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CC#N)CC#N ZINC000042952528 183320518 /nfs/dbraw/zinc/32/05/18/183320518.db2.gz XODAJIFSAPMBLX-MFKMUULPSA-N 1 0 307.195 2.187 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1ccc(C#N)cn1 ZINC000284987118 218248198 /nfs/dbraw/zinc/24/81/98/218248198.db2.gz SQBSWBAXNYDPFK-MAUKXSAKSA-N 1 0 324.432 2.206 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105899638 194165169 /nfs/dbraw/zinc/16/51/69/194165169.db2.gz CZVZFTQQLINZIQ-INIZCTEOSA-N 1 0 302.422 2.029 10 30 DEEERO C[C@@H](C(=O)Nc1cc(C#CC[NH3+])ccc1Cl)n1cccn1 ZINC000061691933 184183041 /nfs/dbraw/zinc/18/30/41/184183041.db2.gz UEVQYFIAFWZXOA-NSHDSACASA-N 1 0 302.765 2.046 10 30 DEEERO Cc1ccc(S(=O)(=O)NCCCC(C)C)c(C#CC[NH3+])c1 ZINC000062096786 184205951 /nfs/dbraw/zinc/20/59/51/184205951.db2.gz JBFSRPVCUUXOMW-UHFFFAOYSA-N 1 0 308.447 2.020 10 30 DEEERO [NH3+]CC#Cc1cnc(NC(=O)c2cc(F)c(F)c(F)c2)s1 ZINC000063008346 184265986 /nfs/dbraw/zinc/26/59/86/184265986.db2.gz OURHWFMGADSQCL-UHFFFAOYSA-N 1 0 311.288 2.123 10 30 DEEERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N(C)[C@@H](C)CC#N)c1 ZINC000063096543 184270646 /nfs/dbraw/zinc/27/06/46/184270646.db2.gz JXDKLAWOLXVXEK-SWLSCSKDSA-N 1 0 309.435 2.280 10 30 DEEERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCOc3cccc(C#N)c3)[C@@H]2C1 ZINC000158205810 197252906 /nfs/dbraw/zinc/25/29/06/197252906.db2.gz MLJFVGFOWIJGSA-NXHRZFHOSA-N 1 0 316.401 2.205 10 30 DEEERO Cc1cccc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c1C#N ZINC000156500567 197118101 /nfs/dbraw/zinc/11/81/01/197118101.db2.gz LDLSLJRNFJQRED-AWEZNQCLSA-N 1 0 321.446 2.019 10 30 DEEERO Cc1ccc(C#N)cc1Nc1nc(NN)[nH+]cc1Br ZINC000123452109 195583334 /nfs/dbraw/zinc/58/33/34/195583334.db2.gz WQDKYAGUDFIMCD-UHFFFAOYSA-N 1 0 319.166 2.448 10 30 DEEERO Cn1cc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)cc1C#N ZINC000191315782 145055782 /nfs/dbraw/zinc/05/57/82/145055782.db2.gz CMXDDXVEYWYDGP-ZDUSSCGKSA-N 1 0 315.808 2.314 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C#N)c(C)n2)[C@@H](C)C1 ZINC000247433858 145137273 /nfs/dbraw/zinc/13/72/73/145137273.db2.gz OWJKSUZXFOAQRQ-LRDDRELGSA-N 1 0 300.406 2.064 10 30 DEEERO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)CN1CCOCC1 ZINC000358571216 147158731 /nfs/dbraw/zinc/15/87/31/147158731.db2.gz OVLYQPFYNGSDFG-KBPBESRZSA-N 1 0 305.397 2.316 10 30 DEEERO Cc1sc(NC(=O)CN2CCC([NH+](C)C)CC2)c(C#N)c1C ZINC000127952129 401757045 /nfs/dbraw/zinc/75/70/45/401757045.db2.gz RWSIQFFEBMZSTO-UHFFFAOYSA-N 1 0 320.462 2.201 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccccc1C#N ZINC000113271686 401774425 /nfs/dbraw/zinc/77/44/25/401774425.db2.gz QCAZNYMJQMFSOH-GDBMZVCRSA-N 1 0 312.417 2.055 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128531275 401781233 /nfs/dbraw/zinc/78/12/33/401781233.db2.gz XRAFFPMDGFRAIL-JKSUJKDBSA-N 1 0 302.422 2.157 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C#N)c(C)n2)[C@H](C)C1 ZINC000076478506 401795995 /nfs/dbraw/zinc/79/59/95/401795995.db2.gz OWJKSUZXFOAQRQ-MLGOLLRUSA-N 1 0 300.406 2.064 10 30 DEEERO C=C[C@](C)(CC)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000135029718 401924234 /nfs/dbraw/zinc/92/42/34/401924234.db2.gz AVBNCVUSJVUJSI-FUHWJXTLSA-N 1 0 307.482 2.217 10 30 DEEERO CCC[N@H+](C)C[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093742118 402019607 /nfs/dbraw/zinc/01/96/07/402019607.db2.gz HSPRPGCHFWRSQY-MRXNPFEDSA-N 1 0 311.433 2.370 10 30 DEEERO C[N@@H+]1CCC[C@H]2CN(Cc3cnc4ccc(C#N)cn34)CC[C@@H]21 ZINC000092043270 402000807 /nfs/dbraw/zinc/00/08/07/402000807.db2.gz FOPOLLCFXDBKBA-RDJZCZTQSA-N 1 0 309.417 2.122 10 30 DEEERO Cc1csc([C@H]2CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)n1 ZINC000092795424 402009155 /nfs/dbraw/zinc/00/91/55/402009155.db2.gz WNUJIBWEKFDHJP-AWEZNQCLSA-N 1 0 320.462 2.393 10 30 DEEERO CC1CC[NH+](CCCNCc2cnc3ccc(C#N)cn23)CC1 ZINC000123190185 402114799 /nfs/dbraw/zinc/11/47/99/402114799.db2.gz POGUJMWYTMRBBV-UHFFFAOYSA-N 1 0 311.433 2.418 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]Cc3cccc4c3OCO4)n2c1 ZINC000123415532 402126589 /nfs/dbraw/zinc/12/65/89/402126589.db2.gz RLQDGGYCGSCFRX-UHFFFAOYSA-N 1 0 306.325 2.224 10 30 DEEERO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC000123444972 402128308 /nfs/dbraw/zinc/12/83/08/402128308.db2.gz ADFWTGSEFLOFFS-ZBFHGGJFSA-N 1 0 315.417 2.073 10 30 DEEERO CCCC(=O)N[C@H]1CCC[N@H+](CCOc2ccccc2C#N)C1 ZINC000101563194 402149159 /nfs/dbraw/zinc/14/91/59/402149159.db2.gz MFLXKRQPFFJMCR-INIZCTEOSA-N 1 0 315.417 2.318 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000124030776 402160263 /nfs/dbraw/zinc/16/02/63/402160263.db2.gz SNGPADAXARRQPD-OLZOCXBDSA-N 1 0 303.406 2.300 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000184587409 402280252 /nfs/dbraw/zinc/28/02/52/402280252.db2.gz ZVUDAEJRCOEAGB-CRAIPNDOSA-N 1 0 316.445 2.124 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000185055602 402321309 /nfs/dbraw/zinc/32/13/09/402321309.db2.gz ZZJVHJZPWVPAHI-HNNXBMFYSA-N 1 0 316.449 2.052 10 30 DEEERO CN(C)c1cc[nH+]cc1CNc1cnn(-c2ncccc2C#N)c1 ZINC000185850583 402383026 /nfs/dbraw/zinc/38/30/26/402383026.db2.gz LVAVMEDZIZSGCX-UHFFFAOYSA-N 1 0 319.372 2.212 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000185857558 402383328 /nfs/dbraw/zinc/38/33/28/402383328.db2.gz BXFLTVLJDLSPOQ-GFCCVEGCSA-N 1 0 303.406 2.388 10 30 DEEERO C[C@]1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCS1 ZINC000163111993 402441888 /nfs/dbraw/zinc/44/18/88/402441888.db2.gz KFOYFGTUWQODML-OAHLLOKOSA-N 1 0 324.471 2.207 10 30 DEEERO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccccc1 ZINC000178945100 402557797 /nfs/dbraw/zinc/55/77/97/402557797.db2.gz QFFSIGDUQWXJKP-CVEARBPZSA-N 1 0 321.446 2.045 10 30 DEEERO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000181558152 402649800 /nfs/dbraw/zinc/64/98/00/402649800.db2.gz XDRKFZNAFRRJLG-DOTOQJQBSA-N 1 0 315.417 2.211 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000183009022 402732463 /nfs/dbraw/zinc/73/24/63/402732463.db2.gz UVCHZGCDTQRXFG-RKDXNWHRSA-N 1 0 315.826 2.452 10 30 DEEERO C#CCCOc1ccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000284218650 403254538 /nfs/dbraw/zinc/25/45/38/403254538.db2.gz ZYJLYRZZUFXZRK-FUHWJXTLSA-N 1 0 319.445 2.336 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000277851736 403264109 /nfs/dbraw/zinc/26/41/09/403264109.db2.gz YSNWUEJIMMCPIG-LJQANCHMSA-N 1 0 322.452 2.330 10 30 DEEERO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000285208025 403279375 /nfs/dbraw/zinc/27/93/75/403279375.db2.gz TXJJGCQHYNEBIN-MOPGFXCFSA-N 1 0 306.409 2.307 10 30 DEEERO N#Cc1ccc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000301723507 403669759 /nfs/dbraw/zinc/66/97/59/403669759.db2.gz OGTGWNRUMRUJPR-HUUCEWRRSA-N 1 0 303.381 2.123 10 30 DEEERO CC[NH+]1CCN(CCCNc2cc(C)nc(C)c2C#N)CC1 ZINC000301783449 403678931 /nfs/dbraw/zinc/67/89/31/403678931.db2.gz NUNMIMMTGCLLJV-UHFFFAOYSA-N 1 0 301.438 2.010 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000288249748 403743038 /nfs/dbraw/zinc/74/30/38/403743038.db2.gz STMOBKPPOAJECV-RBUKOAKNSA-N 1 0 323.440 2.277 10 30 DEEERO C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000334017640 403909449 /nfs/dbraw/zinc/90/94/49/403909449.db2.gz BDUYXXKXDCSLPJ-GJZGRUSLSA-N 1 0 304.438 2.339 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C ZINC000362109457 403925864 /nfs/dbraw/zinc/92/58/64/403925864.db2.gz OUXDDTXHPVWJSD-SFHVURJKSA-N 1 0 321.417 2.434 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](O)Cc2ccccc2)CC1 ZINC000362807821 403990996 /nfs/dbraw/zinc/99/09/96/403990996.db2.gz IKKCEVUKZCWWDI-GOSISDBHSA-N 1 0 316.445 2.137 10 30 DEEERO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H](n2cccn2)C1 ZINC000328787839 404151230 /nfs/dbraw/zinc/15/12/30/404151230.db2.gz XHIGMXNHJPMUKD-KFWWJZLASA-N 1 0 306.410 2.044 10 30 DEEERO C=CCOc1ccccc1C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355506343 404344284 /nfs/dbraw/zinc/34/42/84/404344284.db2.gz HGYLGCHGVZYJDX-INIZCTEOSA-N 1 0 315.417 2.287 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@]12CCCO2 ZINC000329605481 404390393 /nfs/dbraw/zinc/39/03/93/404390393.db2.gz ZITOOSXNSCUZGV-JGFGOLAASA-N 1 0 310.438 2.400 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cn(C)nc1C1CC1 ZINC000329616635 404394484 /nfs/dbraw/zinc/39/44/84/404394484.db2.gz LMBICGPWAHSWBD-UONOGXRCSA-N 1 0 317.437 2.402 10 30 DEEERO C=C[C@@](C)(CC)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000358269675 404758273 /nfs/dbraw/zinc/75/82/73/404758273.db2.gz BZSLHWQXHRARDV-KRWDZBQOSA-N 1 0 303.406 2.341 10 30 DEEERO C=CCC[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000357087577 404727046 /nfs/dbraw/zinc/72/70/46/404727046.db2.gz RARRBFNDUITCKB-DLBZAZTESA-N 1 0 320.477 2.428 10 30 DEEERO C=CCNC(=O)C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358978193 404780640 /nfs/dbraw/zinc/78/06/40/404780640.db2.gz BWFKYNCCJYHNHD-INIZCTEOSA-N 1 0 310.401 2.142 10 30 DEEERO C=C(C)C(C)(C)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000424660151 405141833 /nfs/dbraw/zinc/14/18/33/405141833.db2.gz IVTRCVWLUQTPEC-INIZCTEOSA-N 1 0 307.482 2.217 10 30 DEEERO C=CCC1(C(=O)N2CCC3(CCC[N@H+]3C)CC2)CCOCC1 ZINC000424750073 405168090 /nfs/dbraw/zinc/16/80/90/405168090.db2.gz FRLIAQWEXZLEHZ-UHFFFAOYSA-N 1 0 306.450 2.446 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1CC[NH+](CCC)CC1 ZINC000438076816 405230062 /nfs/dbraw/zinc/23/00/62/405230062.db2.gz UQYZRCRGZKPIDQ-SJORKVTESA-N 1 0 323.481 2.389 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000425847914 405324047 /nfs/dbraw/zinc/32/40/47/405324047.db2.gz DGLLKVKMKYEPAG-HOCLYGCPSA-N 1 0 309.454 2.093 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000448585277 405423182 /nfs/dbraw/zinc/42/31/82/405423182.db2.gz LOVVIQUXVNELOE-HNNXBMFYSA-N 1 0 312.373 2.057 10 30 DEEERO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(C#N)n2C)C1 ZINC000448826384 405452777 /nfs/dbraw/zinc/45/27/77/405452777.db2.gz XHGXVVHXZMBEME-IIAWOOMASA-N 1 0 314.433 2.374 10 30 DEEERO C=CCn1c(C)cc(C(=O)CN2CC[NH2+]C[C@@H]2C(F)F)c1C ZINC000580196671 405606572 /nfs/dbraw/zinc/60/65/72/405606572.db2.gz XZOQUSVGJYCNOH-CQSZACIVSA-N 1 0 311.376 2.013 10 30 DEEERO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000459017275 405696133 /nfs/dbraw/zinc/69/61/33/405696133.db2.gz GUYUDJOPDSVCMH-CVEARBPZSA-N 1 0 309.454 2.093 10 30 DEEERO C=CCCn1cc(CN2CCC(C)([NH+]3CCCC3)CC2)nn1 ZINC000639374515 406070810 /nfs/dbraw/zinc/07/08/10/406070810.db2.gz FYGKXKMFZMQEEU-UHFFFAOYSA-N 1 0 303.454 2.305 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000637622080 406369168 /nfs/dbraw/zinc/36/91/68/406369168.db2.gz YHENZNAQRJOWDD-GJZGRUSLSA-N 1 0 311.470 2.075 10 30 DEEERO C[C@@H]1CSCCN1C(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129164127 196024994 /nfs/dbraw/zinc/02/49/94/196024994.db2.gz SAPVTJQLRZEARO-LLVKDONJSA-N 1 0 308.834 2.228 10 30 DEEERO C=CCNc1ncc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000129743369 196071814 /nfs/dbraw/zinc/07/18/14/196071814.db2.gz SMSCNKBARKTEDC-GFCCVEGCSA-N 1 0 310.467 2.447 10 30 DEEERO C=CCNc1ncc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)s1 ZINC000129743145 196072349 /nfs/dbraw/zinc/07/23/49/196072349.db2.gz SMSCNKBARKTEDC-LBPRGKRZSA-N 1 0 310.467 2.447 10 30 DEEERO C#CC[C@H](CC)NS(=O)(=O)c1ccc(C[NH2+]C2CC2)cc1 ZINC000131275685 196156658 /nfs/dbraw/zinc/15/66/58/196156658.db2.gz ZXWHKFTVWWQTFC-AWEZNQCLSA-N 1 0 306.431 2.019 10 30 DEEERO Cc1cc(C#CC[NH3+])cc(C(=O)NC[C@@]2(C)CCCS2)c1 ZINC000131829773 196203195 /nfs/dbraw/zinc/20/31/95/196203195.db2.gz PYQVRWUQRHCJSE-QGZVFWFLSA-N 1 0 302.443 2.321 10 30 DEEERO N#Cc1cc(Br)ccc1NC[C@H](O)C[NH+]1CCCC1 ZINC000132359347 196248637 /nfs/dbraw/zinc/24/86/37/196248637.db2.gz JIRBEFFVXMIFLZ-ZDUSSCGKSA-N 1 0 324.222 2.189 10 30 DEEERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Br)cc1C#N ZINC000132446935 196256780 /nfs/dbraw/zinc/25/67/80/196256780.db2.gz BQTQZFNVCFRJNY-KWQFWETISA-N 1 0 308.179 2.115 10 30 DEEERO CC[NH2+][C@H]1CCCN(c2ccc(Br)cc2C#N)C1=O ZINC000133027470 196305914 /nfs/dbraw/zinc/30/59/14/196305914.db2.gz LBZUEPDUIFICMI-LBPRGKRZSA-N 1 0 322.206 2.426 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(c2ccc(Cl)cc2)CC1 ZINC000262116257 225265696 /nfs/dbraw/zinc/26/56/96/225265696.db2.gz LIHSHQKJTYFOBF-AWEZNQCLSA-N 1 0 307.825 2.455 10 30 DEEERO C[C@H]1CCCN(C(=[NH2+])NC[C@H](O)c2ccc(Cl)s2)C1 ZINC000262524453 225275707 /nfs/dbraw/zinc/27/57/07/225275707.db2.gz KEVITJLUHFKJFJ-UWVGGRQHSA-N 1 0 301.843 2.482 10 30 DEEERO C[C@@H]1C[NH+]=C(NCc2c(F)cc(Br)cc2F)N1 ZINC000262667040 225280804 /nfs/dbraw/zinc/28/08/04/225280804.db2.gz PDAHZXMTPDUBLG-ZCFIWIBFSA-N 1 0 304.138 2.165 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000262779290 225283541 /nfs/dbraw/zinc/28/35/41/225283541.db2.gz IUXSHWKYQSVMTD-OUJBWJOFSA-N 1 0 313.323 2.043 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NC[C@H]1COC2(CCCCC2)O1 ZINC000263129638 225292782 /nfs/dbraw/zinc/29/27/82/225292782.db2.gz GGTZGCVFANNRCH-ZDUSSCGKSA-N 1 0 323.462 2.271 10 30 DEEERO Cc1nc(CNC(=[NH2+])NCC2CCC2)sc1Br ZINC000263213980 225294509 /nfs/dbraw/zinc/29/45/09/225294509.db2.gz ZNUVHMUJCFGMDD-UHFFFAOYSA-N 1 0 317.256 2.418 10 30 DEEERO Cc1cc(C#N)cc(NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000587197463 424993643 /nfs/dbraw/zinc/99/36/43/424993643.db2.gz RAVCVQSUURGMBA-UHFFFAOYSA-N 1 0 316.474 3.035 10 30 DEEERO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000284581271 267264201 /nfs/dbraw/zinc/26/42/01/267264201.db2.gz IJYQXULLNUOCRF-BZSNNMDCSA-N 1 0 300.402 2.310 10 30 DEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000352086271 275747271 /nfs/dbraw/zinc/74/72/71/275747271.db2.gz ZWTYKTYPARJESB-MAZHCROVSA-N 1 0 321.852 2.366 10 30 DEEERO C=CC[C@H](CO)C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000346625564 275749089 /nfs/dbraw/zinc/74/90/89/275749089.db2.gz PYCOLUJWBGCBCX-GUYCJALGSA-N 1 0 301.365 2.479 10 30 DEEERO C=C[C@@H]1CCCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000428047135 275750701 /nfs/dbraw/zinc/75/07/01/275750701.db2.gz XSZOQHRAGBTSSZ-MRXNPFEDSA-N 1 0 314.433 2.014 10 30 DEEERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329604634 277038840 /nfs/dbraw/zinc/03/88/40/277038840.db2.gz YZIUADTXCDABRD-LJISPDSOSA-N 1 0 310.438 2.115 10 30 DEEERO COc1ccc2c(c1)CCC[C@@H]2CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000164309501 277434330 /nfs/dbraw/zinc/43/43/30/277434330.db2.gz ZBWULGQPAUSHFC-ZBFHGGJFSA-N 1 0 317.433 2.198 10 30 DEEERO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000457517275 277790270 /nfs/dbraw/zinc/79/02/70/277790270.db2.gz SKHRJTWHPJNHIP-IRXDYDNUSA-N 1 0 306.450 2.445 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCOC[C@H]1C)C(C)C ZINC000277565828 277851628 /nfs/dbraw/zinc/85/16/28/277851628.db2.gz SDFLWACOGXMXTO-IXDOHACOSA-N 1 0 323.481 2.409 10 30 DEEERO CC[NH+]=C(NCC(F)F)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000262002902 280836739 /nfs/dbraw/zinc/83/67/39/280836739.db2.gz UWSWSASEMQBLFE-GFCCVEGCSA-N 1 0 313.396 2.142 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000081535645 281605042 /nfs/dbraw/zinc/60/50/42/281605042.db2.gz AXRKHKIGSPNTTJ-UHFFFAOYSA-N 1 0 302.422 2.283 10 30 DEEERO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000172253376 301489975 /nfs/dbraw/zinc/48/99/75/301489975.db2.gz BEGIMPJDCMTQHD-HNNXBMFYSA-N 1 0 323.462 2.121 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000185963439 335155573 /nfs/dbraw/zinc/15/55/73/335155573.db2.gz WMNODJGNOOAECU-CQSZACIVSA-N 1 0 305.422 2.241 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000514598843 336385535 /nfs/dbraw/zinc/38/55/35/336385535.db2.gz JQGDPKMLAYUJHW-UHFFFAOYSA-N 1 0 312.417 2.202 10 30 DEEERO CC[NH+]1CCC(CCNC(=O)N2CCC(CC#N)CC2)CC1 ZINC000540992185 340954775 /nfs/dbraw/zinc/95/47/75/340954775.db2.gz ANOIEKCILXWGJP-UHFFFAOYSA-N 1 0 306.454 2.444 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCOC[C@@H]1C)C(C)C ZINC000248842310 341388278 /nfs/dbraw/zinc/38/82/78/341388278.db2.gz RIPFZEMKXWPNEQ-YESZJQIVSA-N 1 0 308.466 2.474 10 30 DEEERO C=CCCCCCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566480635 341559502 /nfs/dbraw/zinc/55/95/02/341559502.db2.gz YVRSWTIEYLFIQY-HNNXBMFYSA-N 1 0 309.454 2.130 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCc3cc(N)ccc32)CC1 ZINC000566513682 341560571 /nfs/dbraw/zinc/56/05/71/341560571.db2.gz ZNBNUOZCYHVRHE-KRWDZBQOSA-N 1 0 314.433 2.206 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000568241770 341660700 /nfs/dbraw/zinc/66/07/00/341660700.db2.gz YLBNGNIOHVJECN-UHFFFAOYSA-N 1 0 323.481 2.039 10 30 DEEERO C=CCCCC[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000568836986 341683136 /nfs/dbraw/zinc/68/31/36/341683136.db2.gz VZASSVRAINTZIA-MRXNPFEDSA-N 1 0 307.482 2.408 10 30 DEEERO Cc1cc(C#N)ccc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000160269587 526190617 /nfs/dbraw/zinc/19/06/17/526190617.db2.gz FGHSBPWVFWJENT-HUUCEWRRSA-N 1 0 315.417 2.096 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418580847 526344175 /nfs/dbraw/zinc/34/41/75/526344175.db2.gz TZMKOGDOPQABPE-WMLDXEAASA-N 1 0 312.417 2.254 10 30 DEEERO C[NH+]=C(NCc1ccc(C)s1)NCc1cccc(OC)n1 ZINC000262928199 526413998 /nfs/dbraw/zinc/41/39/98/526413998.db2.gz ZZRBSRGATPDXOY-UHFFFAOYSA-N 1 0 304.419 2.325 10 30 DEEERO C=CCN1CC[C@@H]([N@H+](CC)[C@@H](COC)Cc2ccccc2)C1=O ZINC000337188248 526474465 /nfs/dbraw/zinc/47/44/65/526474465.db2.gz QDKZJRCRSBLRFR-QZTJIDSGSA-N 1 0 316.445 2.353 10 30 DEEERO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)C1=O ZINC000337139835 526479802 /nfs/dbraw/zinc/47/98/02/526479802.db2.gz QNBQNZPGHODIMD-LSDHHAIUSA-N 1 0 314.385 2.339 10 30 DEEERO C=CCNC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441248522 526528016 /nfs/dbraw/zinc/52/80/16/526528016.db2.gz VDVQCUZMMNSRDN-ZIAGYGMSSA-N 1 0 324.852 2.256 10 30 DEEERO C=CCNC(=O)c1ccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000261915528 526651236 /nfs/dbraw/zinc/65/12/36/526651236.db2.gz QUIAGWCNSKAWIV-OAHLLOKOSA-N 1 0 315.417 2.319 10 30 DEEERO C#CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000372203524 526714521 /nfs/dbraw/zinc/71/45/21/526714521.db2.gz CGNSTSXNMAEMMT-HZPDHXFCSA-N 1 0 303.381 2.284 10 30 DEEERO C=CCOCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000371639605 526778010 /nfs/dbraw/zinc/77/80/10/526778010.db2.gz YLZPWMFRTSZRIN-UHFFFAOYSA-N 1 0 309.454 2.285 10 30 DEEERO C=CCOCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000371598343 526780030 /nfs/dbraw/zinc/78/00/30/526780030.db2.gz SHUHLQBJQKWEIO-KRWDZBQOSA-N 1 0 317.433 2.153 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cc1 ZINC000362104033 526885149 /nfs/dbraw/zinc/88/51/49/526885149.db2.gz BHYFJXKQLGJDKS-GOSISDBHSA-N 1 0 321.417 2.434 10 30 DEEERO C=CC[C@H](CC)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000341388844 527148312 /nfs/dbraw/zinc/14/83/12/527148312.db2.gz WUUJLZHQGHFPAL-DLBZAZTESA-N 1 0 322.497 2.153 10 30 DEEERO C=CCCCNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000448382796 527217635 /nfs/dbraw/zinc/21/76/35/527217635.db2.gz AFQPOPKZQHKWEM-CALCHBBNSA-N 1 0 322.497 2.153 10 30 DEEERO C=CCCC[NH2+][C@@H](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000448029992 527234393 /nfs/dbraw/zinc/23/43/93/527234393.db2.gz RJFRZQHXNZTOLM-AWEZNQCLSA-N 1 0 310.438 2.123 10 30 DEEERO C=CCn1c(CC(C)C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000337914845 527311930 /nfs/dbraw/zinc/31/19/30/527311930.db2.gz SQYLNYUGAIUHRB-OAHLLOKOSA-N 1 0 303.454 2.337 10 30 DEEERO C=CCCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245674500 527357132 /nfs/dbraw/zinc/35/71/32/527357132.db2.gz STFFFQBQUFITHG-IAGOWNOFSA-N 1 0 317.433 2.324 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000425463987 527495075 /nfs/dbraw/zinc/49/50/75/527495075.db2.gz JOYWWVNOBCLCIE-HOTGVXAUSA-N 1 0 311.470 2.386 10 30 DEEERO CC[NH+]=C(NCCc1csc(N2CCCC2)n1)N1CCCC1 ZINC000263071993 528808022 /nfs/dbraw/zinc/80/80/22/528808022.db2.gz JTSOEIOUAZIJBV-UHFFFAOYSA-N 1 0 321.494 2.347 10 30 DEEERO CCNC(=[NH2+])N[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000262529998 528942181 /nfs/dbraw/zinc/94/21/81/528942181.db2.gz NBIOISOYIRJJEH-SCDSUCTJSA-N 1 0 303.406 2.189 10 30 DEEERO COC(=O)[C@@H]1CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000066832941 625348565 /nfs/dbraw/zinc/34/85/65/625348565.db2.gz HYEMEJDNWWSEMS-OAHLLOKOSA-N 1 0 302.374 2.212 10 30 DEEERO C=CC[C@@H](NC(=O)N1CCN(C2CC2)CC1)c1ccncc1 ZINC000734681834 633418442 /nfs/dbraw/zinc/41/84/42/633418442.db2.gz ZSANQWYTHJTZQL-MRXNPFEDSA-N 1 0 300.406 2.188 10 30 DEEERO CCCOc1cccc(CCNC(=[NH2+])NC[C@H]2CCCO2)c1 ZINC000178779148 636248542 /nfs/dbraw/zinc/24/85/42/636248542.db2.gz XJORDWPEHSOEPU-MRXNPFEDSA-N 1 0 305.422 2.101 10 30 DEEERO COc1ccc(CNC(=[NH2+])NC[C@H]2CCC(C)(C)O2)cc1OC ZINC000186887303 636586868 /nfs/dbraw/zinc/58/68/68/636586868.db2.gz CGMNXPZCOTVPOG-CYBMUJFWSA-N 1 0 321.421 2.066 10 30 DEEERO C=CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccncc1 ZINC000745828833 638293330 /nfs/dbraw/zinc/29/33/30/638293330.db2.gz WEIBVYQTFZQRTL-SJORKVTESA-N 1 0 312.417 2.355 10 30 DEEERO C#CC(C)(C)NC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000752267122 639168542 /nfs/dbraw/zinc/16/85/42/639168542.db2.gz WEHUKXMTVAHZSS-UHFFFAOYSA-N 1 0 314.433 2.362 10 30 DEEERO COC(=O)C(C)(C)[C@H]([NH2+]CCO[C@@H](C)C#N)c1ccccc1 ZINC000801938305 645466316 /nfs/dbraw/zinc/46/63/16/645466316.db2.gz DIJUCQMXHVUDAP-DZGCQCFKSA-N 1 0 304.390 2.445 10 30 DEEERO C#CCC(CC#C)C(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC000807408748 645947888 /nfs/dbraw/zinc/94/78/88/645947888.db2.gz SHFHZUBLSKGLIU-UHFFFAOYSA-N 1 0 302.340 2.040 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000807465297 645953366 /nfs/dbraw/zinc/95/33/66/645953366.db2.gz APWZEEMOBASQMH-GOSISDBHSA-N 1 0 313.445 2.358 10 30 DEEERO Cc1nc(NCc2cc(O[C@@H]3CC[NH2+]C3)ccn2)ccc1C#N ZINC000818628288 647492858 /nfs/dbraw/zinc/49/28/58/647492858.db2.gz JGJFAGSYRXWFIZ-MRXNPFEDSA-N 1 0 309.373 2.010 10 30 DEEERO C#CCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000733212300 649453035 /nfs/dbraw/zinc/45/30/35/649453035.db2.gz KROWQYKYMBSIOB-UHFFFAOYSA-N 1 0 301.459 2.138 10 30 DEEERO COc1cc(OC)c(CNC(=[NH2+])N2CCCCCC2)c(OC)c1 ZINC000305067880 685269211 /nfs/dbraw/zinc/26/92/11/685269211.db2.gz NPRDYWPKLXRTQN-UHFFFAOYSA-N 1 0 321.421 2.403 10 30 DEEERO C=C(Cl)C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000390656540 685441774 /nfs/dbraw/zinc/44/17/74/685441774.db2.gz QWGKTGIZYFEBGQ-SECBINFHSA-N 1 0 305.603 2.341 10 30 DEEERO CC[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)Oc1cccc(F)c1 ZINC000084501353 684003465 /nfs/dbraw/zinc/00/34/65/684003465.db2.gz WTPIYIFXMAJODB-DZGCQCFKSA-N 1 0 309.385 2.066 10 30 DEEERO CCN(CC)C(=[NH2+])NCc1ccc(OC)c(OC(F)F)c1 ZINC000104165186 684058426 /nfs/dbraw/zinc/05/84/26/684058426.db2.gz QNFBRUGNIJYNDE-UHFFFAOYSA-N 1 0 301.337 2.453 10 30 DEEERO [NH2+]=C(NCCOc1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000104175517 684058825 /nfs/dbraw/zinc/05/88/25/684058825.db2.gz BEUZLCQIEXSUER-UHFFFAOYSA-N 1 0 305.378 2.031 10 30 DEEERO COc1cc(OC)cc(OCCNC(=[NH2+])NC2CCCCC2)c1 ZINC000123577012 684126354 /nfs/dbraw/zinc/12/63/54/684126354.db2.gz HVRPMFBBALOLJV-UHFFFAOYSA-N 1 0 321.421 2.320 10 30 DEEERO C#CCOc1ccc([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000125570903 684146835 /nfs/dbraw/zinc/14/68/35/684146835.db2.gz NCBFVHMRTJNFOH-MAUKXSAKSA-N 1 0 303.402 2.138 10 30 DEEERO C=C(Br)CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000128712472 684173261 /nfs/dbraw/zinc/17/32/61/684173261.db2.gz GMXLTMFSCDAWSZ-ZYHUDNBSSA-N 1 0 318.259 2.267 10 30 DEEERO Cc1cccc([C@H](O)CNC(=[NH2+])NCCc2cccs2)c1 ZINC000128864235 684174300 /nfs/dbraw/zinc/17/43/00/684174300.db2.gz BVXKCKAIYCXKPT-OAHLLOKOSA-N 1 0 303.431 2.237 10 30 DEEERO CC(C)(C)OC(=O)N1CCN2C(NCC3(C)CCC3)=[NH+]C[C@@H]2C1 ZINC000133996371 684224420 /nfs/dbraw/zinc/22/44/20/684224420.db2.gz KOZYWLIYWPNZBN-CYBMUJFWSA-N 1 0 322.453 2.057 10 30 DEEERO [NH2+]=C(NCCc1ccc(C(F)(F)F)cc1)NC[C@@H]1CCCO1 ZINC000195522202 685101182 /nfs/dbraw/zinc/10/11/82/685101182.db2.gz LRQCZSCDUOWZSG-ZDUSSCGKSA-N 1 0 315.339 2.331 10 30 DEEERO COc1cc(OC)c(CNC(=[NH2+])N2CCC[C@@H](C)C2)c(OC)c1 ZINC000303863685 685235473 /nfs/dbraw/zinc/23/54/73/685235473.db2.gz AMFVLXIDUCKWCN-GFCCVEGCSA-N 1 0 321.421 2.259 10 30 DEEERO Cc1cccc2[nH]cc(CCNC(=[NH2+])N3CCSCC3)c21 ZINC000303973431 685241569 /nfs/dbraw/zinc/24/15/69/685241569.db2.gz GWAOSIXUTXKUGW-UHFFFAOYSA-N 1 0 302.447 2.382 10 30 DEEERO C[C@@]12CN(c3cc(C#N)ncn3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702298218 1086420250 /nfs/dbraw/zinc/42/02/50/1086420250.db2.gz UWIVKKOYSSRHTD-QFBILLFUSA-N 1 0 319.412 2.307 10 30 DEEERO C#CCC[C@H](O)C[NH2+]Cc1cccc(Br)c1F ZINC000717862863 1091340929 /nfs/dbraw/zinc/34/09/29/1091340929.db2.gz YIUOICNSTBRFMS-NSHDSACASA-N 1 0 300.171 2.452 10 30 DEEERO CN(Cc1cc(C#CC[NH3+])cs1)C(=O)CCC(F)(F)F ZINC000088834273 185266734 /nfs/dbraw/zinc/26/67/34/185266734.db2.gz PARNMEUPKBKPRB-UHFFFAOYSA-N 1 0 304.337 2.359 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000613209877 362040295 /nfs/dbraw/zinc/04/02/95/362040295.db2.gz LLXSSTOXKWXNLX-HZPDHXFCSA-N 1 0 316.449 2.469 10 30 DEEERO C=CCS(=O)(=O)CC[NH2+]Cc1cnc(CC(C)C)s1 ZINC000272825735 210225109 /nfs/dbraw/zinc/22/51/09/210225109.db2.gz JYMOCLDWFQMZJT-UHFFFAOYSA-N 1 0 302.465 2.032 10 30 DEEERO CCc1nc(CNC(N[C@@H]2C[C@H](OC)C2(C)C)=[NH+]C)cs1 ZINC000261723859 529735538 /nfs/dbraw/zinc/73/55/38/529735538.db2.gz KZOPZUBSZDONLW-NEPJUHHUSA-N 1 0 310.467 2.184 10 30 DEEERO CN1CC[C@@H]([NH+]2CCC(C(=O)NCc3ccccc3)CC2)C1=O ZINC000329339857 529794598 /nfs/dbraw/zinc/79/45/98/529794598.db2.gz RGRVDQVBTKQEMX-MRXNPFEDSA-N 1 0 315.417 2.086 10 30 DEEERO CN(CCC[NH+]1CCCC1)C(=O)NCC1CCC(C#N)CC1 ZINC000442739758 529886546 /nfs/dbraw/zinc/88/65/46/529886546.db2.gz RCYIVXAIOLUXKW-UHFFFAOYSA-N 1 0 306.454 2.444 10 30 DEEERO CC[NH+]1CCC(CCNC(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000614370150 362364507 /nfs/dbraw/zinc/36/45/07/362364507.db2.gz RSKUNDNCDGHEDO-UHFFFAOYSA-N 1 0 301.390 2.116 10 30 DEEERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCCSCC#N)C1 ZINC000195271762 530006129 /nfs/dbraw/zinc/00/61/29/530006129.db2.gz VSQVOUSDFFANFR-KRWDZBQOSA-N 1 0 318.490 2.482 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000625701928 365875515 /nfs/dbraw/zinc/87/55/15/365875515.db2.gz UTWJGRBEDSYRFG-KGLIPLIRSA-N 1 0 305.374 2.053 10 30 DEEERO C[C@H]1C[NH2+]C[C@@H](COc2ccc(C#N)cc2Br)O1 ZINC000133510075 185991244 /nfs/dbraw/zinc/99/12/44/185991244.db2.gz PPVJNJNYBADJPP-ONGXEEELSA-N 1 0 311.179 2.076 10 30 DEEERO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](c3ccc(OC)c(F)c3)C2)C1=O ZINC000626126354 366063722 /nfs/dbraw/zinc/06/37/22/366063722.db2.gz MTIAXLVRNAELCC-GDBMZVCRSA-N 1 0 318.392 2.411 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000321057451 539898220 /nfs/dbraw/zinc/89/82/20/539898220.db2.gz XILZQJRDLMYPLR-WDEREUQCSA-N 1 0 320.216 2.260 10 30 DEEERO C[C@H](NC(=O)C1CCCC1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000329385473 539919507 /nfs/dbraw/zinc/91/95/07/539919507.db2.gz PZTFRBHCYMIBGQ-IPYPFGDCSA-N 1 0 307.438 2.217 10 30 DEEERO CC(=O)c1ccc(NC(=O)C[n+]2cn(C)c3ccccc32)cc1 ZINC000048544816 354353581 /nfs/dbraw/zinc/35/35/81/354353581.db2.gz DSUXSXKAIFYZLR-UHFFFAOYSA-O 1 0 308.361 2.307 10 30 DEEERO C=CCOc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000077218036 355189588 /nfs/dbraw/zinc/18/95/88/355189588.db2.gz HWFPEVWQAYPGAW-UHFFFAOYSA-N 1 0 318.417 2.094 10 30 DEEERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)CO)cc1OCCCC#N ZINC000077423876 191712984 /nfs/dbraw/zinc/71/29/84/191712984.db2.gz DXTSGPOMRZNJIO-UONOGXRCSA-N 1 0 306.406 2.484 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000595602018 358497861 /nfs/dbraw/zinc/49/78/61/358497861.db2.gz FROIDMLZRNIWBE-HIFRSBDPSA-N 1 0 307.438 2.479 10 30 DEEERO CN1CC[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)[C@@H]1c1ccccc1 ZINC000329774360 283134171 /nfs/dbraw/zinc/13/41/71/283134171.db2.gz INIVUSDPVUXDOA-HOCLYGCPSA-N 1 0 316.405 2.054 10 30 DEEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182279723 356119512 /nfs/dbraw/zinc/11/95/12/356119512.db2.gz VCIWXRCLDYXCIV-CHWSQXEVSA-N 1 0 317.389 2.074 10 30 DEEERO C[C@@H](NS(=O)(=O)CC(C)(C)C)c1cccc(C#CC[NH3+])c1 ZINC000080192941 192010967 /nfs/dbraw/zinc/01/09/67/192010967.db2.gz ACYSXCDCQQAQQB-CYBMUJFWSA-N 1 0 308.447 2.023 10 30 DEEERO C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000626844036 366344692 /nfs/dbraw/zinc/34/46/92/366344692.db2.gz FJUUZRDIGJAFSV-STQMWFEESA-N 1 0 301.390 2.069 10 30 DEEERO C=CCN(CC=C)S(=O)(=O)c1ccc(CC[NH2+]CC)s1 ZINC000088904428 192650137 /nfs/dbraw/zinc/65/01/37/192650137.db2.gz JBVIVHSBKJPYLO-UHFFFAOYSA-N 1 0 314.476 2.263 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1cc(C#N)ccn1 ZINC000585790389 357356847 /nfs/dbraw/zinc/35/68/47/357356847.db2.gz NCFVCZRFNDDKPS-MAUKXSAKSA-N 1 0 324.432 2.206 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593030463 357991653 /nfs/dbraw/zinc/99/16/53/357991653.db2.gz OCEFHIUKVXJMDM-HIFRSBDPSA-N 1 0 320.345 2.205 10 30 DEEERO COc1ccc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)cc1C#N ZINC000180968653 199234859 /nfs/dbraw/zinc/23/48/59/199234859.db2.gz DTFBAMHGNHKXNH-MRXNPFEDSA-N 1 0 315.417 2.481 10 30 DEEERO C=CC[C@]1(C(=O)Nc2ccc(CCC(=O)OC)cc2)CCC[NH2+]1 ZINC000595938015 358584363 /nfs/dbraw/zinc/58/43/63/358584363.db2.gz VLTCOSPZGRIABT-GOSISDBHSA-N 1 0 316.401 2.429 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)[C@@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000597169748 358842603 /nfs/dbraw/zinc/84/26/03/358842603.db2.gz XPEIZHURJSWXMH-HNNXBMFYSA-N 1 0 322.449 2.121 10 30 DEEERO C=C(C)CN(Cc1ccccc1)C(=O)NCCOCCC[NH3+] ZINC000627217323 366482516 /nfs/dbraw/zinc/48/25/16/366482516.db2.gz NJKRPCPEPZPXRK-UHFFFAOYSA-N 1 0 305.422 2.140 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@H]21 ZINC000599653442 359559255 /nfs/dbraw/zinc/55/92/55/359559255.db2.gz NYLGWIDAELKIBU-OWCLPIDISA-N 1 0 322.449 2.075 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH+]1[C@@H](C)CC(C(=O)OC)C[C@@H]1C ZINC000599702695 359579516 /nfs/dbraw/zinc/57/95/16/359579516.db2.gz BBCMJBLXEBRDAM-KBPBESRZSA-N 1 0 310.438 2.073 10 30 DEEERO C=C(C)C[C@H](NC1CC[NH+](Cc2ccncc2)CC1)C(=O)OC ZINC000602733580 360524065 /nfs/dbraw/zinc/52/40/65/360524065.db2.gz JJJUWGKSHGKWQX-KRWDZBQOSA-N 1 0 317.433 2.143 10 30 DEEERO C=CCN1CC[C@H]([NH+]2CCC(Nc3ccccc3C#N)CC2)C1=O ZINC000602894240 360613828 /nfs/dbraw/zinc/61/38/28/360613828.db2.gz JAMMAXOCFQYBLZ-SFHVURJKSA-N 1 0 324.428 2.221 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610248027 361373033 /nfs/dbraw/zinc/37/30/33/361373033.db2.gz DLPZGIBWCCXFBN-XJKSGUPXSA-N 1 0 323.400 2.277 10 30 DEEERO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000610197382 361366820 /nfs/dbraw/zinc/36/68/20/361366820.db2.gz GMJBFAPCVFQTLN-GXTWGEPZSA-N 1 0 319.355 2.172 10 30 DEEERO C[C@H]1CCC[C@](CNC(=O)c2ccc(C#N)n2C)([NH+](C)C)C1 ZINC000448768901 239618809 /nfs/dbraw/zinc/61/88/09/239618809.db2.gz RPADVCQHFWKNAF-GUYCJALGSA-N 1 0 302.422 2.137 10 30 DEEERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)N(CCC#N)c1ccccc1 ZINC000193126525 299343297 /nfs/dbraw/zinc/34/32/97/299343297.db2.gz OHVHMGWDWSFYKI-ZOBUZTSGSA-N 1 0 315.417 2.479 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000623628338 365107848 /nfs/dbraw/zinc/10/78/48/365107848.db2.gz IJBUZPSLUDZSEL-CVEARBPZSA-N 1 0 321.465 2.095 10 30 DEEERO N#Cc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c(Br)c1 ZINC000091543570 193071394 /nfs/dbraw/zinc/07/13/94/193071394.db2.gz FRBSXSRAAIHHCM-NXEZZACHSA-N 1 0 308.179 2.387 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000624464491 365430150 /nfs/dbraw/zinc/43/01/50/365430150.db2.gz BAQMZITWFBISOF-HOTGVXAUSA-N 1 0 323.481 2.266 10 30 DEEERO C=CCN1C(=[NH2+])NC[C@H]1c1ccc(OC)c(Br)c1 ZINC000093375397 193241251 /nfs/dbraw/zinc/24/12/51/193241251.db2.gz DIZAYUBFPOQGBP-NSHDSACASA-N 1 0 310.195 2.315 10 30 DEEERO Cc1cc(C(=O)Nc2ccnn2C(C)C)sc1C#CC[NH3+] ZINC000094536065 193377464 /nfs/dbraw/zinc/37/74/64/193377464.db2.gz JRNGHXLGVKAYHV-UHFFFAOYSA-N 1 0 302.403 2.396 10 30 DEEERO CC[N@H+](CC/C(N)=N/O)Cc1cccc(Br)c1 ZINC000042452520 183271689 /nfs/dbraw/zinc/27/16/89/183271689.db2.gz VZGMPMBSPBQUOD-UHFFFAOYSA-N 1 0 300.200 2.408 10 30 DEEERO C=C(Br)COc1cc2c(cc1CC[NH3+])OCO2 ZINC000042877584 183315742 /nfs/dbraw/zinc/31/57/42/183315742.db2.gz BJDHYFHAOYDSKG-UHFFFAOYSA-N 1 0 300.152 2.204 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159457921 197355519 /nfs/dbraw/zinc/35/55/19/197355519.db2.gz QYWQNZZXIFHNIQ-UHFFFAOYSA-N 1 0 314.139 2.071 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901086 194164783 /nfs/dbraw/zinc/16/47/83/194164783.db2.gz VSNMGECVSBKPFR-IRXDYDNUSA-N 1 0 316.449 2.418 10 30 DEEERO CC[C@H]1CN(Cc2ccc(F)cc2C#N)CC[N@@H+]1CCOC ZINC000106113084 194187814 /nfs/dbraw/zinc/18/78/14/194187814.db2.gz MTTWEJZHZQAPIO-KRWDZBQOSA-N 1 0 305.397 2.240 10 30 DEEERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)[C@@H](C)CC#N)cc1 ZINC000063096523 184270826 /nfs/dbraw/zinc/27/08/26/184270826.db2.gz OOECDYNNZACNNP-QWHCGFSZSA-N 1 0 309.435 2.280 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 ZINC000066224451 184397676 /nfs/dbraw/zinc/39/76/76/184397676.db2.gz ZQKQWQAAORCTEZ-UHFFFAOYSA-N 1 0 315.417 2.417 10 30 DEEERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCOc3cccc(C#N)c3)[C@@H]2C1 ZINC000158205519 197253172 /nfs/dbraw/zinc/25/31/72/197253172.db2.gz MLJFVGFOWIJGSA-KBAYOESNSA-N 1 0 316.401 2.205 10 30 DEEERO N#Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000156445807 197114248 /nfs/dbraw/zinc/11/42/48/197114248.db2.gz YKPWQUWJTSACAT-ZBFHGGJFSA-N 1 0 306.431 2.173 10 30 DEEERO N#Cc1c(NC(=O)[C@H]2CCCCS2)sc2c1CC[NH2+]C2 ZINC000156258033 197099163 /nfs/dbraw/zinc/09/91/63/197099163.db2.gz SDMKJHUBVBPNKR-LLVKDONJSA-N 1 0 307.444 2.490 10 30 DEEERO N#Cc1csc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000548989107 285822250 /nfs/dbraw/zinc/82/22/50/285822250.db2.gz KILCTYHELNYYEQ-HIFRSBDPSA-N 1 0 306.431 2.277 10 30 DEEERO Cn1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)cc1C#N ZINC000191505973 145059390 /nfs/dbraw/zinc/05/93/90/145059390.db2.gz RDSVNHOXIRVJFZ-GOSISDBHSA-N 1 0 322.412 2.178 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C#N)c1 ZINC000246405028 145101694 /nfs/dbraw/zinc/10/16/94/145101694.db2.gz RRVYFCUSIRSTBF-SJORKVTESA-N 1 0 312.417 2.326 10 30 DEEERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCOc3cccc(C#N)c3)[C@H]2C1 ZINC000246590944 145107468 /nfs/dbraw/zinc/10/74/68/145107468.db2.gz MLJFVGFOWIJGSA-NJAFHUGGSA-N 1 0 316.401 2.205 10 30 DEEERO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000127964868 401757455 /nfs/dbraw/zinc/75/74/55/401757455.db2.gz XHTGQRQAUKPYGI-KZNAEPCWSA-N 1 0 300.402 2.219 10 30 DEEERO C=CCOc1ccc(C[NH2+]CC(=O)NCc2ccco2)cc1 ZINC000030642106 401864536 /nfs/dbraw/zinc/86/45/36/401864536.db2.gz LHGJWGKCPBIXAH-UHFFFAOYSA-N 1 0 300.358 2.250 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000081761399 401898278 /nfs/dbraw/zinc/89/82/78/401898278.db2.gz BGUHSVWAYFLPJG-UHFFFAOYSA-N 1 0 314.364 2.027 10 30 DEEERO C[NH+](C)CC1CCC(NC(=O)NCc2cccc(C#N)c2)CC1 ZINC000138058523 401986565 /nfs/dbraw/zinc/98/65/65/401986565.db2.gz BTVLPRNVPDHPPS-UHFFFAOYSA-N 1 0 314.433 2.478 10 30 DEEERO COCCC[NH+]1CCC(NC(=O)c2ccc(C#N)cc2C)CC1 ZINC000119441253 401949952 /nfs/dbraw/zinc/94/99/52/401949952.db2.gz KYKGZCLKDRNIKV-UHFFFAOYSA-N 1 0 315.417 2.097 10 30 DEEERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000052594109 402044525 /nfs/dbraw/zinc/04/45/25/402044525.db2.gz KAHIANOFVGIINQ-MRXNPFEDSA-N 1 0 300.406 2.184 10 30 DEEERO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000065596494 402126227 /nfs/dbraw/zinc/12/62/27/402126227.db2.gz DUHGOJNDLBNOFO-AWEZNQCLSA-N 1 0 305.397 2.308 10 30 DEEERO C[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)N1CCC(C)CC1 ZINC000123495247 402130674 /nfs/dbraw/zinc/13/06/74/402130674.db2.gz UUAWFBZKGSHRDL-HNNXBMFYSA-N 1 0 311.433 2.416 10 30 DEEERO C=C(C)CN1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123673381 402140769 /nfs/dbraw/zinc/14/07/69/402140769.db2.gz UBZCICPIDBPQSW-UHFFFAOYSA-N 1 0 309.417 2.336 10 30 DEEERO C=CCC[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000158107448 402302019 /nfs/dbraw/zinc/30/20/19/402302019.db2.gz DFMSXWMMRDBXFY-SJORKVTESA-N 1 0 317.433 2.324 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000177012345 402359364 /nfs/dbraw/zinc/35/93/64/402359364.db2.gz XGGZPQRNDMRMLO-GDBMZVCRSA-N 1 0 315.417 2.268 10 30 DEEERO C#CCOc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000163403774 402449150 /nfs/dbraw/zinc/44/91/50/402449150.db2.gz FPRHVTWIRGARJP-UHFFFAOYSA-N 1 0 312.413 2.399 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246881013 402548478 /nfs/dbraw/zinc/54/84/78/402548478.db2.gz DORPNGWEIAOEQJ-LSDHHAIUSA-N 1 0 322.449 2.239 10 30 DEEERO C=CC[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000189641149 402549265 /nfs/dbraw/zinc/54/92/65/402549265.db2.gz MOECVMFBWHZRLK-IAGOWNOFSA-N 1 0 302.418 2.135 10 30 DEEERO C=CCC[C@H](O)C[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247374220 402565633 /nfs/dbraw/zinc/56/56/33/402565633.db2.gz KUMCIHOMCDQAAH-JKSUJKDBSA-N 1 0 324.490 2.380 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000171697656 402611419 /nfs/dbraw/zinc/61/14/19/402611419.db2.gz PILBQEHHPONGCW-MRXNPFEDSA-N 1 0 315.417 2.460 10 30 DEEERO CO[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[C@@H]1C ZINC000251917407 402651765 /nfs/dbraw/zinc/65/17/65/402651765.db2.gz SDFZATZMVOPDJU-RRQGHBQHSA-N 1 0 313.401 2.020 10 30 DEEERO CO[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CC[C@@H]1C ZINC000252038763 402652654 /nfs/dbraw/zinc/65/26/54/402652654.db2.gz ZAEXKQCTLKNBHI-WCQYABFASA-N 1 0 307.419 2.305 10 30 DEEERO COc1ccc(OC)c([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)c1 ZINC000181970868 402662276 /nfs/dbraw/zinc/66/22/76/402662276.db2.gz ANCVQBBSPJTPPO-CYBMUJFWSA-N 1 0 319.405 2.117 10 30 DEEERO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000194690988 402810707 /nfs/dbraw/zinc/81/07/07/402810707.db2.gz MGNRMWWTWUZLFJ-DOTOQJQBSA-N 1 0 315.417 2.172 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000184236936 402829366 /nfs/dbraw/zinc/82/93/66/402829366.db2.gz HRIOZLOHXYGUMQ-IRXDYDNUSA-N 1 0 307.482 2.217 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2OC)C1=O ZINC000281245018 403061697 /nfs/dbraw/zinc/06/16/97/403061697.db2.gz PWWVJEBOTPNFNQ-DOMZBBRYSA-N 1 0 304.390 2.141 10 30 DEEERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3ccc(C#N)[nH]3)C1)CCCC2 ZINC000275761627 403121165 /nfs/dbraw/zinc/12/11/65/403121165.db2.gz VGOTZEKGTGBIRL-AWEZNQCLSA-N 1 0 323.400 2.357 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000346939382 403608123 /nfs/dbraw/zinc/60/81/23/403608123.db2.gz ILSJMEUXBYIIQU-JKSUJKDBSA-N 1 0 311.470 2.123 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000362238264 403937450 /nfs/dbraw/zinc/93/74/50/403937450.db2.gz VWOHROOXQRHGOW-QAPCUYQASA-N 1 0 308.466 2.354 10 30 DEEERO C#CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000362336591 403943940 /nfs/dbraw/zinc/94/39/40/403943940.db2.gz PFAGMTXJXYXPAH-FUHWJXTLSA-N 1 0 312.413 2.189 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@H](CC)c1c(C)nn(C)c1C ZINC000348015391 404005482 /nfs/dbraw/zinc/00/54/82/404005482.db2.gz MHSNRZWECOSPDC-OAHLLOKOSA-N 1 0 304.438 2.278 10 30 DEEERO COc1ccnc(CN2CC[C@@H](n3ccc(NC(C)=O)n3)C2)c1 ZINC000328616616 404114859 /nfs/dbraw/zinc/11/48/59/404114859.db2.gz BWDUQOJFENOLOT-CQSZACIVSA-N 1 0 315.377 2.342 10 30 DEEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)NCC[N@H+](CC)C2CC2)cn1 ZINC000328615344 404115725 /nfs/dbraw/zinc/11/57/25/404115725.db2.gz ATVJNKJPZDXHNS-JKSUJKDBSA-N 1 0 320.437 2.421 10 30 DEEERO C#Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000296368161 404215907 /nfs/dbraw/zinc/21/59/07/404215907.db2.gz ITSJULQPBVSZGW-GOSISDBHSA-N 1 0 313.445 2.445 10 30 DEEERO C[N@@H+]1CCO[C@H]2CCN(c3cc(C#N)c4ccccc4n3)C[C@H]21 ZINC000329000929 404194439 /nfs/dbraw/zinc/19/44/39/404194439.db2.gz VVOKPCOTSYQMGH-SJORKVTESA-N 1 0 308.385 2.016 10 30 DEEERO C#Cc1ccc(CNC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000296461425 404260351 /nfs/dbraw/zinc/26/03/51/404260351.db2.gz LAUVLJVERBZLLA-QGZVFWFLSA-N 1 0 320.396 2.141 10 30 DEEERO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329257263 404281733 /nfs/dbraw/zinc/28/17/33/404281733.db2.gz BWFRSUOBHZGMBC-OKFLDJDMSA-N 1 0 323.437 2.074 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCCCc2nccs2)CC1 ZINC000290824225 404327838 /nfs/dbraw/zinc/32/78/38/404327838.db2.gz XCACAAVJEGOCEQ-UHFFFAOYSA-N 1 0 308.451 2.025 10 30 DEEERO O=C(CN1CCO[C@H](C2CCCCC2)C1)NC[C@@H]1CCCO1 ZINC000329441639 404337100 /nfs/dbraw/zinc/33/71/00/404337100.db2.gz NDMVVDAYZHKJPV-HOTGVXAUSA-N 1 0 310.438 2.403 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(Br)cc1C#N ZINC000297054737 404430100 /nfs/dbraw/zinc/43/01/00/404430100.db2.gz IOLTZRZQCKAVHL-GWCFXTLKSA-N 1 0 321.222 2.389 10 30 DEEERO CCn1cc(-c2n[nH]cc2C(=O)N[C@@H]2CCC[N@H+](CC)C2)cn1 ZINC000330222605 404591631 /nfs/dbraw/zinc/59/16/31/404591631.db2.gz MOPMYWIJBPJMEE-CYBMUJFWSA-N 1 0 316.409 2.082 10 30 DEEERO CC(C)c1nc([C@@H]2CCCN2C(=O)NC[C@H]2CCC[N@@H+]2C)no1 ZINC000330264539 404607076 /nfs/dbraw/zinc/60/70/76/404607076.db2.gz YBLRINTZGHELEN-OLZOCXBDSA-N 1 0 321.425 2.338 10 30 DEEERO C=C(C)Cn1c(COCC)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000359220388 404787585 /nfs/dbraw/zinc/78/75/85/404787585.db2.gz GJPNSBRGMABYRS-HUUCEWRRSA-N 1 0 319.453 2.064 10 30 DEEERO C=C(C)CN(CC)C(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415015448 404788826 /nfs/dbraw/zinc/78/88/26/404788826.db2.gz ASMOIPZKZLVENS-UHFFFAOYSA-N 1 0 303.406 2.159 10 30 DEEERO C=CCOc1cccc(CN(C)C[C@H]2CCS(=O)(=O)C2)c1 ZINC000353768140 404964786 /nfs/dbraw/zinc/96/47/86/404964786.db2.gz NOKJVUIRGQKURR-OAHLLOKOSA-N 1 0 309.431 2.118 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451298926 404945125 /nfs/dbraw/zinc/94/51/25/404945125.db2.gz FMNBWVCJGYYIBT-QWRGUYRKSA-N 1 0 321.343 2.099 10 30 DEEERO C=CCC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCOCC1 ZINC000424738338 405164473 /nfs/dbraw/zinc/16/44/73/405164473.db2.gz OWYFORXNEYMZKH-JKSUJKDBSA-N 1 0 306.450 2.302 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000425412134 405286571 /nfs/dbraw/zinc/28/65/71/405286571.db2.gz FNCAQILGYKSXQP-IKGGRYGDSA-N 1 0 323.481 2.389 10 30 DEEERO C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000452928283 405260990 /nfs/dbraw/zinc/26/09/90/405260990.db2.gz MFHNSFHJYXRQAR-SJORKVTESA-N 1 0 300.402 2.356 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000425851558 405324288 /nfs/dbraw/zinc/32/42/88/405324288.db2.gz HOMCZXSOEZRYMY-ULQDDVLXSA-N 1 0 321.465 2.237 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@]3(CCOC3)C2)CC1 ZINC000454454343 405347412 /nfs/dbraw/zinc/34/74/12/405347412.db2.gz ATWPWGQSUJKICD-GOSISDBHSA-N 1 0 321.465 2.239 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1cn(C)nc1C)C(C)C ZINC000448974269 405481304 /nfs/dbraw/zinc/48/13/04/405481304.db2.gz JQUFWRYKINWEOW-QGZVFWFLSA-N 1 0 318.465 2.086 10 30 DEEERO C=CC[C@]1(C(=O)N[C@@H]2COc3cccc(C)c3C2)CCC[NH2+]1 ZINC000638472983 405493763 /nfs/dbraw/zinc/49/37/63/405493763.db2.gz HNRANLNJZXCNNP-KBXCAEBGSA-N 1 0 300.402 2.113 10 30 DEEERO CC[C@@H](C)[NH+]1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000458733758 405563484 /nfs/dbraw/zinc/56/34/84/405563484.db2.gz MEEOFLBDDLIWNR-QQFBHYJXSA-N 1 0 306.454 2.442 10 30 DEEERO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635918384 405604140 /nfs/dbraw/zinc/60/41/40/405604140.db2.gz AUPAPHNYYKBMII-CQSZACIVSA-N 1 0 306.406 2.018 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)c1ccnn1C)C(C)C ZINC000421768326 405638802 /nfs/dbraw/zinc/63/88/02/405638802.db2.gz DZVNIYZDYZUSPM-WBVHZDCISA-N 1 0 318.465 2.338 10 30 DEEERO C=C[C@@](C)(O)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000431610967 405648860 /nfs/dbraw/zinc/64/88/60/405648860.db2.gz SSKIARSMBBQFBP-GOSISDBHSA-N 1 0 302.418 2.226 10 30 DEEERO C=C1CC(C)(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000633619221 405748827 /nfs/dbraw/zinc/74/88/27/405748827.db2.gz UVSRNHKTNNQICX-KRWDZBQOSA-N 1 0 314.429 2.226 10 30 DEEERO C=C(C)C[C@H](C)C(=O)Nc1cc(N2CCN(C)CC2)cc[nH+]1 ZINC000634194941 406050510 /nfs/dbraw/zinc/05/05/10/406050510.db2.gz ZBUXCNYLLMTYOI-AWEZNQCLSA-N 1 0 302.422 2.374 10 30 DEEERO C=CC(C)(C)CCNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000637320132 406256317 /nfs/dbraw/zinc/25/63/17/406256317.db2.gz MPDLDWHVXSVCSM-UHFFFAOYSA-N 1 0 324.513 2.256 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000569931974 406322591 /nfs/dbraw/zinc/32/25/91/406322591.db2.gz RPKIKYUBIIUYFN-ANLGBYQQSA-N 1 0 307.438 2.191 10 30 DEEERO C=CC[C@H]1CCCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638409943 406755040 /nfs/dbraw/zinc/75/50/40/406755040.db2.gz SYABZYNEAXLPNI-WMZOPIPTSA-N 1 0 315.461 2.260 10 30 DEEERO Cc1ccc(CNC(=O)c2ccc(C#CC[NH3+])c(Cl)c2)o1 ZINC000129126024 196021656 /nfs/dbraw/zinc/02/16/56/196021656.db2.gz BOELPLKVQWPUMA-UHFFFAOYSA-N 1 0 302.761 2.482 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000132460072 196257550 /nfs/dbraw/zinc/25/75/50/196257550.db2.gz QJLGUULGHQDJEE-LLVKDONJSA-N 1 0 308.179 2.387 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000132462022 196258100 /nfs/dbraw/zinc/25/81/00/196258100.db2.gz LSTZETHJDYWSQH-LLVKDONJSA-N 1 0 308.179 2.401 10 30 DEEERO C#CC[C@H](CC)NS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000133222983 196323135 /nfs/dbraw/zinc/32/31/35/196323135.db2.gz OZOJJUHHLQXMQU-LBPRGKRZSA-N 1 0 312.435 2.248 10 30 DEEERO [NH2+]=C(NCCc1ccc2ccccc2n1)N1CCSCC1 ZINC000261991559 225261938 /nfs/dbraw/zinc/26/19/38/225261938.db2.gz MFMPTFWUNLEEIL-UHFFFAOYSA-N 1 0 300.431 2.141 10 30 DEEERO CN(C)C(NCc1cccnc1N(C)C)=[NH+]Cc1ccccc1 ZINC000262007085 225262516 /nfs/dbraw/zinc/26/25/16/225262516.db2.gz RVIKQRJMHKPAGU-UHFFFAOYSA-N 1 0 311.433 2.355 10 30 DEEERO COc1cccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)n1 ZINC000262477214 225273914 /nfs/dbraw/zinc/27/39/14/225273914.db2.gz HKNDLDLOAHNRSW-AWEZNQCLSA-N 1 0 312.373 2.018 10 30 DEEERO [NH2+]=C(NCc1nccn1CC(F)(F)F)N1CCCCCC1 ZINC000262562771 225278381 /nfs/dbraw/zinc/27/83/81/225278381.db2.gz WVODLOCDFNLLEQ-UHFFFAOYSA-N 1 0 303.332 2.136 10 30 DEEERO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000262754246 225284121 /nfs/dbraw/zinc/28/41/21/225284121.db2.gz CUXIHCHGAPDHSD-IJEWVQPXSA-N 1 0 319.453 2.027 10 30 DEEERO [NH2+]=C(NCc1cnc(C2CC2)o1)N[C@@H]1CCOc2ccccc21 ZINC000263056179 225290533 /nfs/dbraw/zinc/29/05/33/225290533.db2.gz DZHWWRSRZNLCCT-CQSZACIVSA-N 1 0 312.373 2.480 10 30 DEEERO Cn1cc([C@@H]2OCC[C@H]2CNC(=[NH2+])NC2CCCCCC2)cn1 ZINC000263058244 225291224 /nfs/dbraw/zinc/29/12/24/225291224.db2.gz FEZYZFQWFYUQPH-XJKSGUPXSA-N 1 0 319.453 2.125 10 30 DEEERO COc1ccc([C@H]2C[C@H](NC(=[NH2+])N3CCO[C@@H](C)C3)C2)cc1F ZINC000261702904 225254121 /nfs/dbraw/zinc/25/41/21/225254121.db2.gz LRODKLYPGAUFJS-UBHSHLNASA-N 1 0 321.396 2.116 10 30 DEEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cn1 ZINC000328615573 225773760 /nfs/dbraw/zinc/77/37/60/225773760.db2.gz AXKXCNNOCRFNCN-FXUDXRNXSA-N 1 0 320.437 2.420 10 30 DEEERO N#CC1CCC(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000370246169 227046910 /nfs/dbraw/zinc/04/69/10/227046910.db2.gz COZBJUZSVIGJJP-JCYILVPMSA-N 1 0 318.465 2.444 10 30 DEEERO C=CCNc1ncc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)s1 ZINC000622134210 422537503 /nfs/dbraw/zinc/53/75/03/422537503.db2.gz YZIGZWPHGBAXNS-NSHDSACASA-N 1 0 308.451 2.344 10 30 DEEERO C=CCNC(=O)c1ccc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)nc1 ZINC000352964911 425050207 /nfs/dbraw/zinc/05/02/07/425050207.db2.gz AHWXKMSGPBFSSS-GASCZTMLSA-N 1 0 316.449 2.672 10 30 DEEERO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000531154300 267302713 /nfs/dbraw/zinc/30/27/13/267302713.db2.gz ATAJWNOXNAOMTL-SFHVURJKSA-N 1 0 311.429 2.291 10 30 DEEERO N#Cc1cccc(CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000531153555 268274018 /nfs/dbraw/zinc/27/40/18/268274018.db2.gz SCFXWLQREQXGDR-SFHVURJKSA-N 1 0 311.429 2.435 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](O)C1(C)C)C(C)C ZINC000361879194 277850756 /nfs/dbraw/zinc/85/07/56/277850756.db2.gz HSRBKGSOUVYZHD-CVEARBPZSA-N 1 0 323.481 2.240 10 30 DEEERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000174143028 279151285 /nfs/dbraw/zinc/15/12/85/279151285.db2.gz AWQSYOOUWCODQL-GOEBONIOSA-N 1 0 315.417 2.268 10 30 DEEERO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000188224136 301077515 /nfs/dbraw/zinc/07/75/15/301077515.db2.gz JPDLBOKMXOKBLS-OAHLLOKOSA-N 1 0 323.462 2.121 10 30 DEEERO CC(C)(C)OC(=O)CC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000174432253 325739747 /nfs/dbraw/zinc/73/97/47/325739747.db2.gz IGIWVQSKAOJDSN-UHFFFAOYSA-N 1 0 300.362 2.027 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000583504475 335627064 /nfs/dbraw/zinc/62/70/64/335627064.db2.gz SFSDMTNUBFNERJ-DOTOQJQBSA-N 1 0 307.434 2.499 10 30 DEEERO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(S(N)(=O)=O)cc1 ZINC000229676672 340614788 /nfs/dbraw/zinc/61/47/88/340614788.db2.gz KZNNFTXIHAFQBE-GFCCVEGCSA-N 1 0 309.435 2.315 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528708724 340730037 /nfs/dbraw/zinc/73/00/37/340730037.db2.gz VKGBNEGWSMRGJC-CABCVRRESA-N 1 0 317.389 2.024 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000567353064 341597865 /nfs/dbraw/zinc/59/78/65/341597865.db2.gz YRRJUMBLDLAFDX-MAZHCROVSA-N 1 0 313.825 2.305 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSc2ccc(C#N)cc2)C1 ZINC000247510446 519693368 /nfs/dbraw/zinc/69/33/68/519693368.db2.gz YIUMOACQUBHIBY-CZUORRHYSA-N 1 0 317.458 2.495 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(CC(C)C)CC(F)(F)F ZINC000451673055 534572449 /nfs/dbraw/zinc/57/24/49/534572449.db2.gz KALPNYNOLIOCCY-OLZOCXBDSA-N 1 0 322.371 2.357 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000448563764 534675791 /nfs/dbraw/zinc/67/57/91/534675791.db2.gz OJFQZFOUUMWODJ-UHFFFAOYSA-N 1 0 322.412 2.291 10 30 DEEERO C=CC[N@@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)CC1CCCCC1 ZINC000338320673 526329694 /nfs/dbraw/zinc/32/96/94/526329694.db2.gz YXQHTAZICAVIIU-INIZCTEOSA-N 1 0 314.495 2.336 10 30 DEEERO C[NH+]=C(NC[C@](C)(O)c1ccco1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261784484 526378500 /nfs/dbraw/zinc/37/85/00/526378500.db2.gz QHKVTFDWOQNPPX-ZQIUZPCESA-N 1 0 305.422 2.185 10 30 DEEERO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@@H]1CCC[C@H](C)C1 ZINC000262767472 526379281 /nfs/dbraw/zinc/37/92/81/526379281.db2.gz HUFOIZQCVLSVBC-SQWLQELKSA-N 1 0 312.527 2.167 10 30 DEEERO C[NH+]=C(NCc1ccn(C2CCCC2)n1)N(C)C[C@H]1CCOC1 ZINC000261739690 526386028 /nfs/dbraw/zinc/38/60/28/526386028.db2.gz ZKNZLZSHHJXPBJ-CQSZACIVSA-N 1 0 319.453 2.042 10 30 DEEERO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262625348 526618985 /nfs/dbraw/zinc/61/89/85/526618985.db2.gz PZAPINDKJPJBNK-NEPJUHHUSA-N 1 0 302.378 2.060 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418135788 526776080 /nfs/dbraw/zinc/77/60/80/526776080.db2.gz PRWYXZICFFRETQ-XYPHTWIQSA-N 1 0 317.433 2.487 10 30 DEEERO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000249856719 527019644 /nfs/dbraw/zinc/01/96/44/527019644.db2.gz DHWPIKJBHOJOPD-OLZOCXBDSA-N 1 0 305.447 2.023 10 30 DEEERO C=CCC1(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCCC1 ZINC000418255453 527063206 /nfs/dbraw/zinc/06/32/06/527063206.db2.gz LNQLMILEIXZNAU-GFCCVEGCSA-N 1 0 301.381 2.419 10 30 DEEERO C=CCCCCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000410735594 527115951 /nfs/dbraw/zinc/11/59/51/527115951.db2.gz YPNOTXLWDYZUIW-HZPDHXFCSA-N 1 0 323.481 2.132 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000288214902 527160135 /nfs/dbraw/zinc/16/01/35/527160135.db2.gz QNVSPNFXBQJTEY-MSOLQXFVSA-N 1 0 313.445 2.214 10 30 DEEERO C=CCCCNC(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000447970483 527220498 /nfs/dbraw/zinc/22/04/98/527220498.db2.gz DPEFJAIGYAXLMX-INIZCTEOSA-N 1 0 311.470 2.389 10 30 DEEERO C=CCc1cc(C(=O)N2CCC([NH2+]C)CC2)cc(OC)c1OC ZINC000237089329 527230697 /nfs/dbraw/zinc/23/06/97/527230697.db2.gz DEOHXIBGXPKGFS-UHFFFAOYSA-N 1 0 318.417 2.256 10 30 DEEERO C=CCCC[C@@H](C)[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000411170142 527250006 /nfs/dbraw/zinc/25/00/06/527250006.db2.gz TXFWLGLGZFQAIM-QGZVFWFLSA-N 1 0 307.482 2.361 10 30 DEEERO C#Cc1ccc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)cc1 ZINC000368031466 527438410 /nfs/dbraw/zinc/43/84/10/527438410.db2.gz UDOALRQBENTHBG-GOSISDBHSA-N 1 0 305.381 2.348 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441280840 527633643 /nfs/dbraw/zinc/63/36/43/527633643.db2.gz DFPDKJZDESEYGB-BBWFWOEESA-N 1 0 306.450 2.324 10 30 DEEERO CC1(C)[C@H](NC(=[NH2+])NCCc2cccs2)[C@H]2CCCO[C@H]21 ZINC000262532226 527850985 /nfs/dbraw/zinc/85/09/85/527850985.db2.gz NXMOZXLYAHDCIR-MGPQQGTHSA-N 1 0 307.463 2.399 10 30 DEEERO CC[NH+]=C(NC1CC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261715271 528801563 /nfs/dbraw/zinc/80/15/63/528801563.db2.gz HSQAECUVYKWBPO-LBPRGKRZSA-N 1 0 307.829 2.031 10 30 DEEERO CC[NH+]=C(NC[C@]1(C)CCOC1)N[C@@H]1CCOc2ccccc21 ZINC000262801330 528816368 /nfs/dbraw/zinc/81/63/68/528816368.db2.gz QVKZGSXAHPEALZ-QAPCUYQASA-N 1 0 317.433 2.492 10 30 DEEERO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000371766028 535522666 /nfs/dbraw/zinc/52/26/66/535522666.db2.gz ODIGTHPKCKIRFL-DLBZAZTESA-N 1 0 300.402 2.310 10 30 DEEERO C[NH+]1CCC([C@H]2CCN(C(=O)c3sccc3C#N)C2)CC1 ZINC000372306023 536346394 /nfs/dbraw/zinc/34/63/94/536346394.db2.gz YZUZPIPZGHITAZ-AWEZNQCLSA-N 1 0 303.431 2.424 10 30 DEEERO CN(C)C(=O)C1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000051230156 624466042 /nfs/dbraw/zinc/46/60/42/624466042.db2.gz KJFRZBRSQPZHAG-UHFFFAOYSA-N 1 0 315.417 2.127 10 30 DEEERO CC[NH+]1CCC(CCNC(=O)COc2cccc(C#N)c2)CC1 ZINC000742098049 638036232 /nfs/dbraw/zinc/03/62/32/638036232.db2.gz GDRRGHVGUZBBIV-UHFFFAOYSA-N 1 0 315.417 2.175 10 30 DEEERO C#CCC[NH+]1CCC(NC(=O)c2ccc(C)nc2Cl)CC1 ZINC000747404106 638434657 /nfs/dbraw/zinc/43/46/57/638434657.db2.gz FYXAQLFERVYCBG-UHFFFAOYSA-N 1 0 305.809 2.261 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@@H+](C)C(C)C ZINC000805075766 639517120 /nfs/dbraw/zinc/51/71/20/639517120.db2.gz FEVGSNVCUSWWNZ-KRWDZBQOSA-N 1 0 301.434 2.260 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@@H+](CC)C1CC1 ZINC000805076068 639520265 /nfs/dbraw/zinc/52/02/65/639520265.db2.gz NPXGPOXHQLJRDD-KRWDZBQOSA-N 1 0 313.445 2.405 10 30 DEEERO C#CC[N@H+]1CCC[C@H]1COC(=O)CCCOc1ccccc1 ZINC000729808870 640843202 /nfs/dbraw/zinc/84/32/02/640843202.db2.gz FSVRHGDVKIYRIV-INIZCTEOSA-N 1 0 301.386 2.486 10 30 DEEERO C#CC[N@H+]1CCC[C@H]1COC(=O)C1(c2ccc(F)cc2)CC1 ZINC000729812127 640844308 /nfs/dbraw/zinc/84/43/08/640844308.db2.gz MGUDWOFXDBUOCV-INIZCTEOSA-N 1 0 301.361 2.498 10 30 DEEERO C[C@@H](C#N)OCC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000801937155 645464790 /nfs/dbraw/zinc/46/47/90/645464790.db2.gz FQLJVGJWFSHOGB-KBPBESRZSA-N 1 0 301.390 2.393 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000806855460 645879970 /nfs/dbraw/zinc/87/99/70/645879970.db2.gz MQODIPFOLYGZBG-QZTJIDSGSA-N 1 0 313.445 2.405 10 30 DEEERO C=CCOc1ccccc1C=NNC(=S)NCCC[NH+](C)C ZINC000731928314 647523738 /nfs/dbraw/zinc/52/37/38/647523738.db2.gz IEZOWNIXYOKNMD-UHFFFAOYSA-N 1 0 320.462 2.001 10 30 DEEERO [NH2+]=C(NCc1nc2ccccc2n1C1CC1)N1CCSCC1 ZINC000183835861 649178341 /nfs/dbraw/zinc/17/83/41/649178341.db2.gz DKZADCHSOWBUNP-UHFFFAOYSA-N 1 0 315.446 2.235 10 30 DEEERO CCO[C@H]1C[C@H](NC(=[NH2+])N2CCCCCC2)C12CCOCC2 ZINC000184644862 649331981 /nfs/dbraw/zinc/33/19/81/649331981.db2.gz CFRPBXANPMTZFM-GJZGRUSLSA-N 1 0 309.454 2.151 10 30 DEEERO Cc1nccn1CCCCNC(=[NH2+])NCCc1cccs1 ZINC000304757426 685259916 /nfs/dbraw/zinc/25/99/16/685259916.db2.gz OVWJQFGQNWCTFV-UHFFFAOYSA-N 1 0 305.451 2.180 10 30 DEEERO C[C@](O)(CNC(=[NH2+])NCCc1cccs1)c1ccc(F)cc1 ZINC000305706447 685294551 /nfs/dbraw/zinc/29/45/51/685294551.db2.gz QTIDHQIDOIOMNB-INIZCTEOSA-N 1 0 321.421 2.242 10 30 DEEERO CCc1cccc(CC)c1NC(=[NH2+])NC[C@@]1(CCO)CCOC1 ZINC000126135999 684151727 /nfs/dbraw/zinc/15/17/27/684151727.db2.gz VXBGURLWRNQDIT-GOSISDBHSA-N 1 0 319.449 2.327 10 30 DEEERO C=C(Br)CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000128712232 684173236 /nfs/dbraw/zinc/17/32/36/684173236.db2.gz GMXLTMFSCDAWSZ-PWSUYJOCSA-N 1 0 318.259 2.267 10 30 DEEERO Cc1cccc(NC(=[NH2+])NCCNC(=O)c2cccc(C)c2)c1 ZINC000303863207 685235570 /nfs/dbraw/zinc/23/55/70/685235570.db2.gz ABJYSMVEUCJHSO-UHFFFAOYSA-N 1 0 310.401 2.460 10 30 DEEERO COc1cc(OC)c(CNC(=[NH2+])N2CCC[C@H](C)C2)c(OC)c1 ZINC000303863686 685235928 /nfs/dbraw/zinc/23/59/28/685235928.db2.gz AMFVLXIDUCKWCN-LBPRGKRZSA-N 1 0 321.421 2.259 10 30 DEEERO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1COCCN1C ZINC000624738872 365531224 /nfs/dbraw/zinc/53/12/24/365531224.db2.gz PLRRIOPYSGLPBQ-KRWDZBQOSA-N 1 0 317.433 2.105 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000076734141 185036795 /nfs/dbraw/zinc/03/67/95/185036795.db2.gz WYHJHUYSFLLMRB-UHFFFAOYSA-N 1 0 307.350 2.440 10 30 DEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000076736671 185037882 /nfs/dbraw/zinc/03/78/82/185037882.db2.gz NQTPUENFNPZHMU-NSHDSACASA-N 1 0 302.378 2.081 10 30 DEEERO COc1ccc(C#CCCO)c(C[N@@H+]2CCSC[C@H]2C)c1 ZINC000087787294 185231910 /nfs/dbraw/zinc/23/19/10/185231910.db2.gz WOTHBZHNHISFTE-CQSZACIVSA-N 1 0 305.443 2.366 10 30 DEEERO COCC[NH2+]CCCc1nnc(-c2ccc(C#N)cc2)s1 ZINC000088813239 185266437 /nfs/dbraw/zinc/26/64/37/185266437.db2.gz HUPXZRYUWBXZOL-UHFFFAOYSA-N 1 0 302.403 2.245 10 30 DEEERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1sc(C)c(C)c1C#N ZINC000090543523 185302200 /nfs/dbraw/zinc/30/22/00/185302200.db2.gz JGTKHBWSHOWUFP-CHWSQXEVSA-N 1 0 307.419 2.190 10 30 DEEERO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000245398520 282384971 /nfs/dbraw/zinc/38/49/71/282384971.db2.gz SWUATDXBGXXYCO-KBPBESRZSA-N 1 0 303.406 2.172 10 30 DEEERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C#N)cc1Br ZINC000111266255 185567530 /nfs/dbraw/zinc/56/75/30/185567530.db2.gz CRWXSKVZXLVONY-WPRPVWTQSA-N 1 0 308.179 2.115 10 30 DEEERO CC#CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794739 365904983 /nfs/dbraw/zinc/90/49/83/365904983.db2.gz MCTTUICUSHWPCA-HNNXBMFYSA-N 1 0 308.219 2.282 10 30 DEEERO CC(C)CCCCNS(=O)(=O)c1cccc(C#CC[NH3+])c1 ZINC000147803349 186041695 /nfs/dbraw/zinc/04/16/95/186041695.db2.gz QQRUXBFJGKVNEK-UHFFFAOYSA-N 1 0 308.447 2.101 10 30 DEEERO Cc1nc(C)c(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)o1 ZINC000159551416 186126920 /nfs/dbraw/zinc/12/69/20/186126920.db2.gz DEOJWUDDLVFSJX-UHFFFAOYSA-N 1 0 302.359 2.123 10 30 DEEERO Cn1cc(Cl)cc1C(=O)Nc1ccc(F)c(C#CC[NH3+])c1 ZINC000164387390 186158156 /nfs/dbraw/zinc/15/81/56/186158156.db2.gz DXTFTURAGKRNOH-UHFFFAOYSA-N 1 0 305.740 2.380 10 30 DEEERO N#Cc1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000277226401 213379650 /nfs/dbraw/zinc/37/96/50/213379650.db2.gz SHPQSDFMZZBFNF-KRWDZBQOSA-N 1 0 323.400 2.051 10 30 DEEERO C=CCC[C@@H](CN(C)CC[NH+](C)C)Oc1cc(C#N)ccn1 ZINC000072432215 191164828 /nfs/dbraw/zinc/16/48/28/191164828.db2.gz OCHSDXQHRCUHET-INIZCTEOSA-N 1 0 302.422 2.160 10 30 DEEERO CCOc1ccc(C#N)cc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333160271 539949883 /nfs/dbraw/zinc/94/98/83/539949883.db2.gz NUJYXZKMZFIIMJ-ZIAGYGMSSA-N 1 0 314.389 2.030 10 30 DEEERO CC(C)OC(=NC(=O)c1ccco1)NCC[NH+]1CCCCC1 ZINC000004589153 353992654 /nfs/dbraw/zinc/99/26/54/353992654.db2.gz BMTXRKWUZBXYOA-UHFFFAOYSA-N 1 0 307.394 2.276 10 30 DEEERO C[N@@H+]1CC[C@@H](NC(=O)NCCCCC#N)[C@H]1c1ccccc1 ZINC000245606384 283051414 /nfs/dbraw/zinc/05/14/14/283051414.db2.gz AGCBMFXYVVRYJW-HZPDHXFCSA-N 1 0 300.406 2.425 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@]3(CCCOC3)C2)CC1 ZINC000083231833 355466417 /nfs/dbraw/zinc/46/64/17/355466417.db2.gz VHBYIMSQTGLXRI-SFHVURJKSA-N 1 0 321.465 2.239 10 30 DEEERO C=CCCC[C@H](C)[NH+]1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000091506697 355600018 /nfs/dbraw/zinc/60/00/18/355600018.db2.gz XQSZDLGPHYHQLK-AWEZNQCLSA-N 1 0 320.437 2.284 10 30 DEEERO C=CCOc1ccccc1CN1CC[NH+]([C@@H](CC)CO)CC1 ZINC000093740013 355686428 /nfs/dbraw/zinc/68/64/28/355686428.db2.gz GNKXLBYHQGSRRI-KRWDZBQOSA-N 1 0 304.434 2.140 10 30 DEEERO C=CCC[NH+]1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000132396434 355851488 /nfs/dbraw/zinc/85/14/88/355851488.db2.gz QVPCSKJWPDBIPP-UHFFFAOYSA-N 1 0 320.433 2.406 10 30 DEEERO Cc1ccc(C#N)c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000161981045 355969639 /nfs/dbraw/zinc/96/96/39/355969639.db2.gz JANPFCHMUVOHDX-KRWDZBQOSA-N 1 0 314.433 2.343 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000185238886 356204562 /nfs/dbraw/zinc/20/45/62/356204562.db2.gz RUPQGKJZKUMPEG-IAGOWNOFSA-N 1 0 319.449 2.088 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000080983142 192208790 /nfs/dbraw/zinc/20/87/90/192208790.db2.gz JUHIKJCGVKTLOP-KRWDZBQOSA-N 1 0 322.412 2.464 10 30 DEEERO C[N@H+](CCOc1ccccc1C#N)C[C@@H]1CCc2nccn2C1 ZINC000328621105 356461451 /nfs/dbraw/zinc/46/14/51/356461451.db2.gz AFZKINYMYQVVPY-HNNXBMFYSA-N 1 0 310.401 2.328 10 30 DEEERO N#Cc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2nccs2)o1 ZINC000328652356 356466683 /nfs/dbraw/zinc/46/66/83/356466683.db2.gz WJTJZWJDWSABJP-RYUDHWBXSA-N 1 0 320.393 2.310 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000081589111 192298761 /nfs/dbraw/zinc/29/87/61/192298761.db2.gz KDAMGWSLHXCRDT-UHFFFAOYSA-N 1 0 322.412 2.245 10 30 DEEERO C[C@@H]1CCC[C@](CNC(=O)c2cc(C#N)cn2C)([NH+](C)C)C1 ZINC000081709476 192316664 /nfs/dbraw/zinc/31/66/64/192316664.db2.gz YNYKCYYDYXXVJA-DYVFJYSZSA-N 1 0 302.422 2.137 10 30 DEEERO C=CCOCCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000618520556 363514877 /nfs/dbraw/zinc/51/48/77/363514877.db2.gz GKGVSZQSVSIKCX-QGZVFWFLSA-N 1 0 302.418 2.360 10 30 DEEERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593373095 358063645 /nfs/dbraw/zinc/06/36/45/358063645.db2.gz AFLPCDBDPKBQGZ-SJKOYZFVSA-N 1 0 310.401 2.066 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000185291605 199834230 /nfs/dbraw/zinc/83/42/30/199834230.db2.gz KFKDHHHWLDOGLL-OAHLLOKOSA-N 1 0 316.449 2.052 10 30 DEEERO N#CCCCC[C@@H]([NH3+])C(=O)NCc1cccc(Br)c1 ZINC000594426391 358265860 /nfs/dbraw/zinc/26/58/60/358265860.db2.gz CLHMSWNLOQFGNQ-CYBMUJFWSA-N 1 0 324.222 2.477 10 30 DEEERO C=CCC(C)(C)CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627044074 366420389 /nfs/dbraw/zinc/42/03/89/366420389.db2.gz YIKFOPHJNFPKCN-INIZCTEOSA-N 1 0 323.481 2.389 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000627093761 366438617 /nfs/dbraw/zinc/43/86/17/366438617.db2.gz PMBFQJFIACZMLQ-UHFFFAOYSA-N 1 0 322.497 2.104 10 30 DEEERO C=CCC1([NH2+][C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CCCC1 ZINC000595780290 358547421 /nfs/dbraw/zinc/54/74/21/358547421.db2.gz PPIDSWFCTKZRKO-AWEZNQCLSA-N 1 0 322.449 2.408 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1 ZINC000599526748 359516452 /nfs/dbraw/zinc/51/64/52/359516452.db2.gz RFVMTIWOCRXXJZ-CYBMUJFWSA-N 1 0 304.390 2.499 10 30 DEEERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000187091338 200060255 /nfs/dbraw/zinc/06/02/55/200060255.db2.gz SQPMFFQAZFQDMP-INIZCTEOSA-N 1 0 307.825 2.100 10 30 DEEERO C[C@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000187900645 200172856 /nfs/dbraw/zinc/17/28/56/200172856.db2.gz IMETZTOGHTZGBP-KBXCAEBGSA-N 1 0 315.417 2.370 10 30 DEEERO C=C(C)C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)OC ZINC000601785477 360148946 /nfs/dbraw/zinc/14/89/46/360148946.db2.gz BELYFKOQXFFUIQ-AWEZNQCLSA-N 1 0 310.438 2.123 10 30 DEEERO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602185752 360303842 /nfs/dbraw/zinc/30/38/42/360303842.db2.gz JXSVPGLJAYTBSW-KRWDZBQOSA-N 1 0 312.417 2.055 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610248025 361372935 /nfs/dbraw/zinc/37/29/35/361372935.db2.gz DLPZGIBWCCXFBN-CJNGLKHVSA-N 1 0 323.400 2.277 10 30 DEEERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccnc(C#N)c1 ZINC000193759364 201118220 /nfs/dbraw/zinc/11/82/20/201118220.db2.gz NSEZEYYJVGGXLF-CQSZACIVSA-N 1 0 308.385 2.204 10 30 DEEERO CS(=O)(=O)CCCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000610734590 361454841 /nfs/dbraw/zinc/45/48/41/361454841.db2.gz WMTBIIDXLJMPFS-UHFFFAOYSA-N 1 0 306.431 2.347 10 30 DEEERO C=CCN(C)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1CC(C)C ZINC000611806368 361686002 /nfs/dbraw/zinc/68/60/02/361686002.db2.gz HWBZGWRAIOUFOE-CABCVRRESA-N 1 0 319.453 2.092 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000628489616 366865502 /nfs/dbraw/zinc/86/55/02/366865502.db2.gz BJQBOSVTBAKCOV-CQSZACIVSA-N 1 0 303.406 2.060 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000623586664 365091757 /nfs/dbraw/zinc/09/17/57/365091757.db2.gz FRBSSHCTELEUES-OAHLLOKOSA-N 1 0 323.481 2.483 10 30 DEEERO C=CCC[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)C1CC1 ZINC000624116164 365295348 /nfs/dbraw/zinc/29/53/48/365295348.db2.gz JWXBFRYLSKNKFI-GJZGRUSLSA-N 1 0 312.421 2.037 10 30 DEEERO C=CC[C@H](C(=O)N1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000275300124 212258497 /nfs/dbraw/zinc/25/84/97/212258497.db2.gz HYEMEOQXMZLHKY-SFHVURJKSA-N 1 0 316.445 2.261 10 30 DEEERO C[C@H](NC(=O)c1ccc(C#N)n1C)[C@H](c1ccccc1)[NH+](C)C ZINC000450705472 242127276 /nfs/dbraw/zinc/12/72/76/242127276.db2.gz XHARVJDODBOYGK-SUMWQHHRSA-N 1 0 310.401 2.318 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(C[C@H](C)[N@H+](C)Cc2ccccc2)C1=O ZINC000630971396 367944232 /nfs/dbraw/zinc/94/42/32/367944232.db2.gz APJXHZHEOAQORB-GOEBONIOSA-N 1 0 315.417 2.394 10 30 DEEERO C=C1CC(C)(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000631910402 368455808 /nfs/dbraw/zinc/45/58/08/368455808.db2.gz DMRJJCZJJZMESS-HZPDHXFCSA-N 1 0 306.450 2.227 10 30 DEEERO CCCO[C@H]1CCCN(C(=O)c2csc(C#CC[NH3+])c2)C1 ZINC000093976142 193333349 /nfs/dbraw/zinc/33/33/49/193333349.db2.gz BLLCQGZHLRPOJY-AWEZNQCLSA-N 1 0 306.431 2.090 10 30 DEEERO CC[C@@H](C)N(CCOC)C(=O)c1cc(C)c(C#CC[NH3+])s1 ZINC000094536555 193378563 /nfs/dbraw/zinc/37/85/63/193378563.db2.gz GWHATOCLGFPPHN-CYBMUJFWSA-N 1 0 308.447 2.254 10 30 DEEERO COc1ccc(C#N)cc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000159881271 197371172 /nfs/dbraw/zinc/37/11/72/197371172.db2.gz OGUCKXBTYYEPIS-UHFFFAOYSA-N 1 0 323.400 2.069 10 30 DEEERO C[C@@H](N(C)S(=O)(=O)c1ccccc1C#CC[NH3+])C(C)(C)C ZINC000042830781 183313055 /nfs/dbraw/zinc/31/30/55/183313055.db2.gz ZZGLKAXPMGOTAH-CYBMUJFWSA-N 1 0 308.447 2.052 10 30 DEEERO Cc1ccnc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1C#N ZINC000284475370 218042770 /nfs/dbraw/zinc/04/27/70/218042770.db2.gz ACPPOCGTSCIAPO-WMLDXEAASA-N 1 0 324.432 2.490 10 30 DEEERO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000284785362 218176031 /nfs/dbraw/zinc/17/60/31/218176031.db2.gz YPOGMYXZVVHUCS-SQNIBIBYSA-N 1 0 300.402 2.310 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)Nc2ccc(Cl)cc2F)nc1 ZINC000061872379 184190716 /nfs/dbraw/zinc/19/07/16/184190716.db2.gz AEGRVYJYHUBOEA-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO COCC[NH2+]Cc1cccc(Br)c1O[C@H](C)C#N ZINC000062733851 184251534 /nfs/dbraw/zinc/25/15/34/184251534.db2.gz MKEWPVLZTPUHKK-SNVBAGLBSA-N 1 0 313.195 2.476 10 30 DEEERO [NH3+]CC#Cc1cc(NC(=O)NCC(F)(F)F)ccc1Cl ZINC000158104706 197243663 /nfs/dbraw/zinc/24/36/63/197243663.db2.gz MCAGFVRHPLYRDY-UHFFFAOYSA-N 1 0 305.687 2.334 10 30 DEEERO CC[C@H]1CN(C(=O)c2cc(C)c(C#CC[NH3+])s2)CCS1 ZINC000157977608 197232202 /nfs/dbraw/zinc/23/22/02/197232202.db2.gz JGROTVDMOVCRTG-LBPRGKRZSA-N 1 0 308.472 2.334 10 30 DEEERO CC[C@H]1CN(C(=O)c2cc(C)ccc2C#CC[NH3+])CCS1 ZINC000157978205 197232091 /nfs/dbraw/zinc/23/20/91/197232091.db2.gz HDLVCJXVNCZJQN-HNNXBMFYSA-N 1 0 302.443 2.273 10 30 DEEERO C[C@H]([NH3+])c1cc(Br)ccc1-n1cnc(C#N)c1C#N ZINC000156219117 197096745 /nfs/dbraw/zinc/09/67/45/197096745.db2.gz QJNKKJOWZNDLMP-QMMMGPOBSA-N 1 0 316.162 2.398 10 30 DEEERO COc1cc(C#N)ccc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000120855602 195251070 /nfs/dbraw/zinc/25/10/70/195251070.db2.gz QJTCZLZFOKAAOT-UHFFFAOYSA-N 1 0 323.400 2.069 10 30 DEEERO COc1c(CNC(=[NH2+])NC[C@@H]2CCCO2)oc2ccccc21 ZINC000262487959 533450378 /nfs/dbraw/zinc/45/03/78/533450378.db2.gz IVBRCBCVTJXQJQ-NSHDSACASA-N 1 0 303.362 2.025 10 30 DEEERO COc1cc(Br)ccc1CNC(=[NH2+])NC1CCC1 ZINC000263189045 533490171 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C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)CCN1C ZINC000123201125 402115654 /nfs/dbraw/zinc/11/56/54/402115654.db2.gz GFVUQIHCNVRZDM-ZBFHGGJFSA-N 1 0 314.433 2.301 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000123791449 402146453 /nfs/dbraw/zinc/14/64/53/402146453.db2.gz PPCNCDRNTOGRFN-GOEBONIOSA-N 1 0 317.433 2.360 10 30 DEEERO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1cnc(C#N)cn1 ZINC000125346674 402226712 /nfs/dbraw/zinc/22/67/12/402226712.db2.gz GTAWRQQOEUZXDO-OAHLLOKOSA-N 1 0 307.401 2.449 10 30 DEEERO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161181809 402376591 /nfs/dbraw/zinc/37/65/91/402376591.db2.gz COGYVXOFDGKFHV-JOCBIADPSA-N 1 0 321.465 2.056 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000186207834 402410957 /nfs/dbraw/zinc/41/09/57/402410957.db2.gz QPDALUDQLYOIRT-INIZCTEOSA-N 1 0 301.434 2.409 10 30 DEEERO C[C@H](C#N)CNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000187791324 402511370 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C=CCOCC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000352360040 404314651 /nfs/dbraw/zinc/31/46/51/404314651.db2.gz LBSXNZPKTYORMP-UHFFFAOYSA-N 1 0 320.355 2.111 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(Br)cc1C#N ZINC000297054761 404430080 /nfs/dbraw/zinc/43/00/80/404430080.db2.gz IOLTZRZQCKAVHL-MFKMUULPSA-N 1 0 321.222 2.389 10 30 DEEERO CC[NH+]1CCN([C@H](C)CNC(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC000329826693 404464374 /nfs/dbraw/zinc/46/43/74/404464374.db2.gz ITCWJLKEFXEJJI-HUUCEWRRSA-N 1 0 324.469 2.258 10 30 DEEERO C=CCn1c(CC(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000351174081 404525461 /nfs/dbraw/zinc/52/54/61/404525461.db2.gz XFWOGVPOAZVLKS-CABCVRRESA-N 1 0 303.454 2.336 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000297693288 404592507 /nfs/dbraw/zinc/59/25/07/404592507.db2.gz QQZCWYNYLAKZOU-ZWKOTPCHSA-N 1 0 311.429 2.294 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000353039125 404729361 /nfs/dbraw/zinc/72/93/61/404729361.db2.gz OXLPLTSFFCLYSU-CYBMUJFWSA-N 1 0 309.431 2.307 10 30 DEEERO C=C(C)CN(CC)C(=O)CN1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000358362399 404760843 /nfs/dbraw/zinc/76/08/43/404760843.db2.gz CSWBFEWGPSEPQG-OAHLLOKOSA-N 1 0 323.481 2.038 10 30 DEEERO C#CCOc1ccccc1C[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000366251181 404779527 /nfs/dbraw/zinc/77/95/27/404779527.db2.gz OLVKCBJKJOPBBH-MJGOQNOKSA-N 1 0 315.413 2.469 10 30 DEEERO C=CCNC(=O)C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358978195 404780726 /nfs/dbraw/zinc/78/07/26/404780726.db2.gz BWFKYNCCJYHNHD-MRXNPFEDSA-N 1 0 310.401 2.142 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451142869 404879793 /nfs/dbraw/zinc/87/97/93/404879793.db2.gz CNHDMWGIZWYLDN-UHFFFAOYSA-N 1 0 306.450 2.204 10 30 DEEERO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)ccc1C#N ZINC000407961153 405076879 /nfs/dbraw/zinc/07/68/79/405076879.db2.gz BHGWPNVSEKRGMQ-KZNAEPCWSA-N 1 0 300.402 2.229 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451918459 405092525 /nfs/dbraw/zinc/09/25/25/405092525.db2.gz YEWSWTFEBGBRAF-XQQFMLRXSA-N 1 0 322.371 2.045 10 30 DEEERO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000408203266 405138740 /nfs/dbraw/zinc/13/87/40/405138740.db2.gz KUTJMFGHDRNXAW-INMHGKMJSA-N 1 0 321.465 2.320 10 30 DEEERO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2CCC(C#N)CC2)C1 ZINC000440924322 405331243 /nfs/dbraw/zinc/33/12/43/405331243.db2.gz MXDJFDAEDPLVMT-GPANFISMSA-N 1 0 306.454 2.347 10 30 DEEERO C[N@H+](Cc1ccccc1)C1CN(C(=O)Cc2cccc(C#N)c2)C1 ZINC000557642007 405616483 /nfs/dbraw/zinc/61/64/83/405616483.db2.gz BPIXTEMLMRKAAV-UHFFFAOYSA-N 1 0 319.408 2.444 10 30 DEEERO C=CCOCCCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633354191 405589585 /nfs/dbraw/zinc/58/95/85/405589585.db2.gz PZPKTIGLTIMMQE-UHFFFAOYSA-N 1 0 309.454 2.239 10 30 DEEERO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635918383 405603962 /nfs/dbraw/zinc/60/39/62/405603962.db2.gz AUPAPHNYYKBMII-AWEZNQCLSA-N 1 0 306.406 2.018 10 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/nfs/dbraw/zinc/11/18/81/406111881.db2.gz PRYRHASBNJDPMO-QGZVFWFLSA-N 1 0 314.429 2.226 10 30 DEEERO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1cccc(C#N)c1 ZINC000533192875 406127317 /nfs/dbraw/zinc/12/73/17/406127317.db2.gz PSTZIIIRLNZHKO-UHFFFAOYSA-N 1 0 322.412 2.086 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000637195654 406207557 /nfs/dbraw/zinc/20/75/57/406207557.db2.gz XZGZNJWBDPOHLG-AWEZNQCLSA-N 1 0 323.481 2.084 10 30 DEEERO C=CCCS(=O)(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000632641581 406210118 /nfs/dbraw/zinc/21/01/18/406210118.db2.gz MMGBYPJGGSTNCA-UHFFFAOYSA-N 1 0 300.468 2.233 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)cc1 ZINC000634714286 406241017 /nfs/dbraw/zinc/24/10/17/406241017.db2.gz JCSDMCKNKCLETO-SJLPKXTDSA-N 1 0 305.418 2.253 10 30 DEEERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C#N)cc2OC)C1 ZINC000545296152 406312569 /nfs/dbraw/zinc/31/25/69/406312569.db2.gz SKUUGVDZNUOQIS-ZDUSSCGKSA-N 1 0 302.378 2.030 10 30 DEEERO C=CC[C@@]1(C(=O)N2CCO[C@@H](c3cccs3)C2)CCC[NH2+]1 ZINC000637961417 406497648 /nfs/dbraw/zinc/49/76/48/406497648.db2.gz YZHRNOANWOYJQD-CJNGLKHVSA-N 1 0 306.431 2.346 10 30 DEEERO C=CCOCCCNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638415409 406758877 /nfs/dbraw/zinc/75/88/77/406758877.db2.gz MVISZKJCJCYYCM-ZDUSSCGKSA-N 1 0 316.323 2.414 10 30 DEEERO CC(C)(C)S(=O)(=O)Nc1ccc(Cl)cc1C#CC[NH3+] ZINC000132017383 196218844 /nfs/dbraw/zinc/21/88/44/196218844.db2.gz JJQXUDRMAUOTPJ-UHFFFAOYSA-N 1 0 300.811 2.190 10 30 DEEERO C[C@H]1C[NH2+]C[C@@H](COc2ccc(C(F)(F)F)cc2C#N)O1 ZINC000133817184 196338079 /nfs/dbraw/zinc/33/80/79/196338079.db2.gz XXLCXCHJJOGPBJ-CABZTGNLSA-N 1 0 300.280 2.333 10 30 DEEERO [NH2+]=C(NCc1ncc(-c2ccccc2)cn1)N1CCSCC1 ZINC000185590465 224947472 /nfs/dbraw/zinc/94/74/72/224947472.db2.gz DTFSGMOIOWLSJN-UHFFFAOYSA-N 1 0 313.430 2.007 10 30 DEEERO [NH2+]=C(NC[C@H]1CCCO1)NCC1(c2ccc(Cl)cc2)CC1 ZINC000262116258 225265174 /nfs/dbraw/zinc/26/51/74/225265174.db2.gz LIHSHQKJTYFOBF-CQSZACIVSA-N 1 0 307.825 2.455 10 30 DEEERO [NH2+]=C(NC[C@H]1CCC[C@@H](CO)C1)N[C@H]1CCOc2ccccc21 ZINC000262292494 225267875 /nfs/dbraw/zinc/26/78/75/225267875.db2.gz HTKDOMHSRYBJNS-LZWOXQAQSA-N 1 0 317.433 2.213 10 30 DEEERO CN(C)C(=[NH+]Cc1cccc(COC2CCOCC2)c1)N(C)C ZINC000262548418 225277087 /nfs/dbraw/zinc/27/70/87/225277087.db2.gz WOIRVBGJZNJVFH-UHFFFAOYSA-N 1 0 319.449 2.361 10 30 DEEERO Cc1nc(CNC(=[NH2+])N(C)C2CC2)sc1Br ZINC000263078099 225290537 /nfs/dbraw/zinc/29/05/37/225290537.db2.gz HKGMAXACOIDSOQ-UHFFFAOYSA-N 1 0 303.229 2.123 10 30 DEEERO Cc1c2cc(F)ccc2oc1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261734784 225254067 /nfs/dbraw/zinc/25/40/67/225254067.db2.gz HRIBEMUHMWTEGA-LBPRGKRZSA-N 1 0 305.353 2.464 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000333807147 226110754 /nfs/dbraw/zinc/11/07/54/226110754.db2.gz OZVKFRHUIGISSC-VGWMRTNUSA-N 1 0 304.438 2.100 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)NCCCc2nccs2)CC1 ZINC000290608241 221782988 /nfs/dbraw/zinc/78/29/88/221782988.db2.gz COWHVKDYQAFBRM-UHFFFAOYSA-N 1 0 322.478 2.415 10 30 DEEERO C=C(C)Cn1c(C)nnc1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634372170 422410033 /nfs/dbraw/zinc/41/00/33/422410033.db2.gz JFCTXAUMCBCCJL-UHFFFAOYSA-N 1 0 315.425 2.369 10 30 DEEERO C[C@H](NC(=O)c1ccnc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000193851945 267178513 /nfs/dbraw/zinc/17/85/13/267178513.db2.gz NFXWEJPGVCXWII-SUMWQHHRSA-N 1 0 308.385 2.374 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000177651864 267562705 /nfs/dbraw/zinc/56/27/05/267562705.db2.gz YCVDQEASFRJCHX-UHFFFAOYSA-N 1 0 322.412 2.423 10 30 DEEERO Cc1nsc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)c1C#N ZINC000333295013 268921095 /nfs/dbraw/zinc/92/10/95/268921095.db2.gz JSYSMIKPIAIUSU-UHFFFAOYSA-N 1 0 319.434 2.321 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000424297310 276920037 /nfs/dbraw/zinc/92/00/37/276920037.db2.gz QESFHQRJYUONIF-XQLPTFJDSA-N 1 0 320.393 2.456 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)C1 ZINC000328963148 279315575 /nfs/dbraw/zinc/31/55/75/279315575.db2.gz RCZGMVKJYVBESL-SOUVJXGZSA-N 1 0 322.453 2.216 10 30 DEEERO C=CCN1CC[C@H]([N@H+](C)CCN2CCCc3ccccc32)C1=O ZINC000532485669 336251874 /nfs/dbraw/zinc/25/18/74/336251874.db2.gz QOZZZJAQYHPLFD-SFHVURJKSA-N 1 0 313.445 2.158 10 30 DEEERO C#CCC[NH+]1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000301126431 336291238 /nfs/dbraw/zinc/29/12/38/336291238.db2.gz ZBABAIZWAVTXLJ-UHFFFAOYSA-N 1 0 310.376 2.428 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000073882609 337551120 /nfs/dbraw/zinc/55/11/20/337551120.db2.gz LSORFAFVGRVHCF-MNOVXSKESA-N 1 0 309.797 2.391 10 30 DEEERO C=CCC[C@@H](O)C[NH+]1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000527578474 337751558 /nfs/dbraw/zinc/75/15/58/337751558.db2.gz VPOCNXANVMSKIG-MRXNPFEDSA-N 1 0 320.433 2.418 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000567692766 341627997 /nfs/dbraw/zinc/62/79/97/341627997.db2.gz CKBDJDSHKRVWEY-ZQIUZPCESA-N 1 0 316.401 2.088 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000576339463 341841184 /nfs/dbraw/zinc/84/11/84/341841184.db2.gz PSOOPAMOBKEVKE-TWMKSMIVSA-N 1 0 321.465 2.141 10 30 DEEERO Cc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)nc1C#N ZINC000302628668 534167139 /nfs/dbraw/zinc/16/71/39/534167139.db2.gz IRWOFQKZOWXAKZ-SFHVURJKSA-N 1 0 322.412 2.117 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC000262456354 534272135 /nfs/dbraw/zinc/27/21/35/534272135.db2.gz LHFIDSNXJUKNJT-GRYCIOLGSA-N 1 0 307.360 2.391 10 30 DEEERO C[NH+](C)CCCOc1ccc(CNc2cnc(C#N)cn2)cc1 ZINC000123733413 524058249 /nfs/dbraw/zinc/05/82/49/524058249.db2.gz QXRIDQSLJJDFOZ-UHFFFAOYSA-N 1 0 311.389 2.291 10 30 DEEERO Cn1nc2c(c1CNC(=[NH2+])NCCc1cccs1)CCCC2 ZINC000262620027 534826879 /nfs/dbraw/zinc/82/68/79/534826879.db2.gz CLZZODNDTQAFML-UHFFFAOYSA-N 1 0 317.462 2.007 10 30 DEEERO CC#CCC[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000155505831 526309326 /nfs/dbraw/zinc/30/93/26/526309326.db2.gz BPNCAYFLTNPVMW-UHFFFAOYSA-N 1 0 308.429 2.403 10 30 DEEERO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418578943 526310984 /nfs/dbraw/zinc/31/09/84/526310984.db2.gz QQZRWUUCLHKLLQ-DOTOQJQBSA-N 1 0 301.434 2.425 10 30 DEEERO C[NH+]=C(NC1CCC1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000261663347 526344329 /nfs/dbraw/zinc/34/43/29/526344329.db2.gz GDPQBYHXZVOWJR-INIZCTEOSA-N 1 0 309.454 2.164 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418360142 526348564 /nfs/dbraw/zinc/34/85/64/526348564.db2.gz FTQJPMZHCILHKK-AWEZNQCLSA-N 1 0 318.377 2.044 10 30 DEEERO C[NH+]=C(NCC1CCC(C(C)C)CC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000261887105 526352175 /nfs/dbraw/zinc/35/21/75/526352175.db2.gz UYQZSWFJTHCJMD-UYSNPLJNSA-N 1 0 322.497 2.235 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)CO ZINC000295839905 526374763 /nfs/dbraw/zinc/37/47/63/526374763.db2.gz WTGXEIGZIVPFFB-RDBSUJKOSA-N 1 0 310.463 2.258 10 30 DEEERO C[NH+]=C(NCc1ccsc1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262477129 526388146 /nfs/dbraw/zinc/38/81/46/526388146.db2.gz QKDJTQDUWMBVTC-CYBMUJFWSA-N 1 0 303.435 2.047 10 30 DEEERO C[NH+]=C(NCc1sccc1C)NCc1cccc(OC)n1 ZINC000262369549 526415247 /nfs/dbraw/zinc/41/52/47/526415247.db2.gz IJKSHCUPMRVVSC-UHFFFAOYSA-N 1 0 304.419 2.325 10 30 DEEERO C=CCNC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246905184 526530284 /nfs/dbraw/zinc/53/02/84/526530284.db2.gz RSDSDQPLYHMONM-HZPDHXFCSA-N 1 0 306.381 2.016 10 30 DEEERO C=CCNc1ncc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000245999348 526680295 /nfs/dbraw/zinc/68/02/95/526680295.db2.gz OHYUPWPJJTUNGZ-CHWSQXEVSA-N 1 0 320.462 2.297 10 30 DEEERO C=CCOCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000376840161 526782623 /nfs/dbraw/zinc/78/26/23/526782623.db2.gz BZFBYYYVICZMNO-INIZCTEOSA-N 1 0 320.408 2.357 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)NCCCC[NH+](C)C ZINC000361642393 526828009 /nfs/dbraw/zinc/82/80/09/526828009.db2.gz BBIJXNWFIUNUHH-UHFFFAOYSA-N 1 0 306.406 2.332 10 30 DEEERO C=CCCCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000448097814 527219929 /nfs/dbraw/zinc/21/99/29/527219929.db2.gz KIZOTFCOSFJPAS-UHFFFAOYSA-N 1 0 309.454 2.287 10 30 DEEERO C=CCCCNC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000447957967 527223007 /nfs/dbraw/zinc/22/30/07/527223007.db2.gz COZYPPXRTYMFGT-HOTGVXAUSA-N 1 0 311.470 2.389 10 30 DEEERO C=CCc1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc(OC)c1O ZINC000368216577 527243512 /nfs/dbraw/zinc/24/35/12/527243512.db2.gz AJBCSKYEXGTNFV-AWEZNQCLSA-N 1 0 313.401 2.500 10 30 DEEERO C=CCCC[C@H](C)[N@@H+](C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000340945064 527273746 /nfs/dbraw/zinc/27/37/46/527273746.db2.gz CBDHLIGUUGVMNC-HOTGVXAUSA-N 1 0 324.465 2.465 10 30 DEEERO C=CCCC[C@H](C)[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000340893312 527275680 /nfs/dbraw/zinc/27/56/80/527275680.db2.gz KQAFROWZZZGQRM-AWEZNQCLSA-N 1 0 302.422 2.047 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000425847468 527494047 /nfs/dbraw/zinc/49/40/47/527494047.db2.gz CTQLPHKKAZSUHP-YVSFHVDLSA-N 1 0 321.465 2.234 10 30 DEEERO C=C[C@H](CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000245622728 527574192 /nfs/dbraw/zinc/57/41/92/527574192.db2.gz FPSZQZTUVFDOCZ-YESZJQIVSA-N 1 0 316.445 2.260 10 30 DEEERO CCN(CC)C(=[NH2+])NCc1nc(C)c(Br)s1 ZINC000263147445 527982586 /nfs/dbraw/zinc/98/25/86/527982586.db2.gz OYPQAGRZBVETOT-UHFFFAOYSA-N 1 0 305.245 2.371 10 30 DEEERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(C#N)n1C ZINC000448744358 528121666 /nfs/dbraw/zinc/12/16/66/528121666.db2.gz BGHQFDUSSLTATI-UHFFFAOYSA-N 1 0 304.438 2.337 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000321043349 636299109 /nfs/dbraw/zinc/29/91/09/636299109.db2.gz TXSFRSFLBDIVBC-STQMWFEESA-N 1 0 300.196 2.009 10 30 DEEERO COc1ccc(F)cc1CNC(=[NH2+])NCCc1ccccc1 ZINC000186865562 636577337 /nfs/dbraw/zinc/57/73/37/636577337.db2.gz IZEGOCNBXNFYJD-UHFFFAOYSA-N 1 0 301.365 2.481 10 30 DEEERO CC(C)(C)[C@H](O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000742403276 638068015 /nfs/dbraw/zinc/06/80/15/638068015.db2.gz RTVUPGBVRPQUDO-MRXNPFEDSA-N 1 0 305.397 2.226 10 30 DEEERO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000746676088 638368593 /nfs/dbraw/zinc/36/85/93/638368593.db2.gz RTNWESHHKZNOTH-GFCCVEGCSA-N 1 0 321.808 2.330 10 30 DEEERO COC(=O)c1ccc(CNC(=[NH2+])NCCC(C)C)nc1C1CC1 ZINC000305824797 639469991 /nfs/dbraw/zinc/46/99/91/639469991.db2.gz CDFHFDUABNKHCP-UHFFFAOYSA-N 1 0 318.421 2.196 10 30 DEEERO [NH2+]=C(NC[C@H]1CCCO1)NCC1(c2cccc(Cl)c2)CC1 ZINC000172549913 646741403 /nfs/dbraw/zinc/74/14/03/646741403.db2.gz KNKFJKXRCBITPJ-CQSZACIVSA-N 1 0 307.825 2.455 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc2c(c1)OCO2 ZINC000121390350 649413070 /nfs/dbraw/zinc/41/30/70/649413070.db2.gz ALHNUXUXUFSHPN-CYBMUJFWSA-N 1 0 303.358 2.306 10 30 DEEERO CC[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)Oc1ccccc1F ZINC000304671656 685258091 /nfs/dbraw/zinc/25/80/91/685258091.db2.gz CGEPTZRVDKQRIR-QWHCGFSZSA-N 1 0 309.385 2.066 10 30 DEEERO CCc1cnc(CCNC(=[NH2+])NCCc2ccccc2)s1 ZINC000304800427 685261891 /nfs/dbraw/zinc/26/18/91/685261891.db2.gz OPFQGLPKBMZNPH-UHFFFAOYSA-N 1 0 302.447 2.395 10 30 DEEERO CC[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000084501352 684003837 /nfs/dbraw/zinc/00/38/37/684003837.db2.gz WTPIYIFXMAJODB-HIFRSBDPSA-N 1 0 309.385 2.066 10 30 DEEERO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[N@@H+](C)CC1 ZINC000098080793 684056170 /nfs/dbraw/zinc/05/61/70/684056170.db2.gz IJEWZJZDMUCJLH-UHFFFAOYSA-N 1 0 312.373 2.028 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000119426358 684081407 /nfs/dbraw/zinc/08/14/07/684081407.db2.gz LESREXGOCQMQDX-CYBMUJFWSA-N 1 0 304.346 2.485 10 30 DEEERO CC1CCN(C(=[NH2+])NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000122491006 684115702 /nfs/dbraw/zinc/11/57/02/684115702.db2.gz FNGZIWKUUUDYDW-UHFFFAOYSA-N 1 0 316.449 2.070 10 30 DEEERO Cc1cccc(NC(=[NH2+])NCc2ccc(S(C)(=O)=O)cc2)c1 ZINC000303773801 685234192 /nfs/dbraw/zinc/23/41/92/685234192.db2.gz FNODGJVLJDOEHG-UHFFFAOYSA-N 1 0 317.414 2.325 10 30 DEEERO Cc1ccc(NC(=[NH2+])NCCNC(=O)c2ccccc2)cc1C ZINC000303781393 685234321 /nfs/dbraw/zinc/23/43/21/685234321.db2.gz MCUYSUBOAVHMKR-UHFFFAOYSA-N 1 0 310.401 2.460 10 30 DEEERO Cc1ccc(NC(=O)[C@H](C)[N+]23CCN(CC2)CC3)cc1Cl ZINC000029225724 717117286 /nfs/dbraw/zinc/11/72/86/717117286.db2.gz QPVCHPXUWXOUPZ-ZDUSSCGKSA-O 1 0 308.833 2.121 10 30 DEEERO C#CC[C@@H](COC)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000716841982 793010189 /nfs/dbraw/zinc/01/01/89/793010189.db2.gz YRSXQNPSRYGFKE-KBPBESRZSA-N 1 0 312.207 2.110 10 30 DEEERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ncc(Br)cc1C#N ZINC000720827600 1086175776 /nfs/dbraw/zinc/17/57/76/1086175776.db2.gz DPSAGUGTNNRYSW-CHWSQXEVSA-N 1 0 321.222 2.389 10 30 DEEERO C#CCC[C@@H](O)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719274391 1092000000 /nfs/dbraw/zinc/00/00/00/1092000000.db2.gz OBCWNDPDDSCJCR-SECBINFHSA-N 1 0 303.225 2.078 10 30 DEEERO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(C#N)o2)cn1 ZINC000328632224 231268252 /nfs/dbraw/zinc/26/82/52/231268252.db2.gz LEMVSUCRQKBNFS-ZBFHGGJFSA-N 1 0 313.361 2.317 10 30 DEEERO CCc1nnsc1C(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000087456386 185225795 /nfs/dbraw/zinc/22/57/95/185225795.db2.gz FNHOKHJLLYOOMR-UHFFFAOYSA-N 1 0 320.805 2.316 10 30 DEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000087748576 185231340 /nfs/dbraw/zinc/23/13/40/185231340.db2.gz QKDNFTSRIRQDDH-ZIAGYGMSSA-N 1 0 302.443 2.271 10 30 DEEERO C=CCN(C(C)C)S(=O)(=O)c1ccc(Cl)c(C[NH3+])c1 ZINC000166094313 197687629 /nfs/dbraw/zinc/68/76/29/197687629.db2.gz HJSYZVWWTFQNJW-UHFFFAOYSA-N 1 0 302.827 2.384 10 30 DEEERO Cc1noc(C)c1[C@H](C)NC(=O)c1sccc1C#CC[NH3+] ZINC000092341635 185313374 /nfs/dbraw/zinc/31/33/74/185313374.db2.gz GQELWOBIVNXZRR-VIFPVBQESA-N 1 0 303.387 2.154 10 30 DEEERO C=CCCCS(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000625368320 365750327 /nfs/dbraw/zinc/75/03/27/365750327.db2.gz MHRMPKVSUPGIER-OAHLLOKOSA-N 1 0 300.468 2.279 10 30 DEEERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C#N)cc1Br ZINC000092952620 185350406 /nfs/dbraw/zinc/35/04/06/185350406.db2.gz TVEMDSNJZKTUPE-WCBMZHEXSA-N 1 0 308.179 2.257 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000625446740 365789370 /nfs/dbraw/zinc/78/93/70/365789370.db2.gz QVSOYIAOUWCSFE-UHFFFAOYSA-N 1 0 323.481 2.038 10 30 DEEERO C[NH+]=C(NCc1cc(Br)cc2c1OCC2)NC1CC1 ZINC000262691274 530039284 /nfs/dbraw/zinc/03/92/84/530039284.db2.gz WFHGAPGRJLOBAO-UHFFFAOYSA-N 1 0 324.222 2.211 10 30 DEEERO N#Cc1ccc(Cl)cc1NC(=O)CCOC1CC[NH2+]CC1 ZINC000111800324 185637905 /nfs/dbraw/zinc/63/79/05/185637905.db2.gz DQIPKLBQVMSUJL-UHFFFAOYSA-N 1 0 307.781 2.309 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000625699154 365874996 /nfs/dbraw/zinc/87/49/96/365874996.db2.gz ATZDKTGYFCFSIG-CQSZACIVSA-N 1 0 301.390 2.482 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)NCc2cccc(COC)c2)C1 ZINC000625701455 365875406 /nfs/dbraw/zinc/87/54/06/365875406.db2.gz RSBWVNSSBITEMG-HNNXBMFYSA-N 1 0 302.418 2.347 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)NCc2ccc(COC)cc2)C1 ZINC000625700519 365874244 /nfs/dbraw/zinc/87/42/44/365874244.db2.gz JQSMHILCFPGKQT-INIZCTEOSA-N 1 0 302.418 2.347 10 30 DEEERO C=CC[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000625702326 365876922 /nfs/dbraw/zinc/87/69/22/365876922.db2.gz XIDOFBUNLGWFKC-ZBFHGGJFSA-N 1 0 300.402 2.004 10 30 DEEERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(OCC#N)cc1 ZINC000069768027 190813981 /nfs/dbraw/zinc/81/39/81/190813981.db2.gz DAMZRTFEIKEDRC-CQSZACIVSA-N 1 0 318.421 2.118 10 30 DEEERO C[NH+](C)Cc1ccc2c(c1)C(C#N)N(Cc1cccnc1)C2=O ZINC000071680478 191005134 /nfs/dbraw/zinc/00/51/34/191005134.db2.gz NLZXBFVINGFCLX-KRWDZBQOSA-N 1 0 306.369 2.364 10 30 DEEERO C[C@@H]1SCCN(C(=O)c2cc(F)ccc2C#CC[NH3+])[C@H]1C ZINC000133670575 186005348 /nfs/dbraw/zinc/00/53/48/186005348.db2.gz FCMOMANYTQOKEQ-RYUDHWBXSA-N 1 0 306.406 2.102 10 30 DEEERO Cc1cc(C(=O)N2CCS[C@@H](C)[C@@H]2C)ccc1C#CC[NH3+] ZINC000133668193 186005516 /nfs/dbraw/zinc/00/55/16/186005516.db2.gz DYKFAWZBLLKSOF-KBPBESRZSA-N 1 0 302.443 2.271 10 30 DEEERO C[C@@H]1SCCN(C(=O)c2ccc(C#CC[NH3+])c(F)c2)[C@H]1C ZINC000133675544 186005871 /nfs/dbraw/zinc/00/58/71/186005871.db2.gz KMVSEAYUSANOAB-RYUDHWBXSA-N 1 0 306.406 2.102 10 30 DEEERO C[C@@H]1[C@H](C)SCC[N@@H+]1CCOc1cccc(C#CCO)c1 ZINC000133783920 186012329 /nfs/dbraw/zinc/01/23/29/186012329.db2.gz KEKXYVJGFZVTSU-CABCVRRESA-N 1 0 305.443 2.235 10 30 DEEERO [NH3+]CC#Cc1ccsc1CNC(=O)c1cc(F)cc(F)c1 ZINC000148673529 186045390 /nfs/dbraw/zinc/04/53/90/186045390.db2.gz YZWWWEJMRVJVGQ-UHFFFAOYSA-N 1 0 306.337 2.267 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171441841 186160863 /nfs/dbraw/zinc/16/08/63/186160863.db2.gz OJZQNHRULVAEBA-ZBFHGGJFSA-N 1 0 313.401 2.022 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCN1CC[NH+](CC)CC1 ZINC000617040493 363006934 /nfs/dbraw/zinc/00/69/34/363006934.db2.gz VBVQXEIMAUDODU-SJORKVTESA-N 1 0 307.482 2.265 10 30 DEEERO COc1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1C#N ZINC000172688633 198137163 /nfs/dbraw/zinc/13/71/63/198137163.db2.gz KHZQOALYMXWWET-INIZCTEOSA-N 1 0 323.400 2.115 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000321057448 539898019 /nfs/dbraw/zinc/89/80/19/539898019.db2.gz XILZQJRDLMYPLR-MNOVXSKESA-N 1 0 320.216 2.260 10 30 DEEERO CC1CC[NH+](C[C@@H](O)CNC(=O)C2CCSCC2)CC1 ZINC000329611973 539924483 /nfs/dbraw/zinc/92/44/83/539924483.db2.gz CJBDOYDATIUEBE-AWEZNQCLSA-N 1 0 300.468 2.179 10 30 DEEERO COc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1C#N ZINC000174361209 198324657 /nfs/dbraw/zinc/32/46/57/198324657.db2.gz DNAQZHBYQJJOFW-MRXNPFEDSA-N 1 0 323.400 2.115 10 30 DEEERO C=CCC(C)(C)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617705013 363227339 /nfs/dbraw/zinc/22/73/39/363227339.db2.gz LQCOWHUGUGBPSS-KRWDZBQOSA-N 1 0 316.445 2.472 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000075693809 191510082 /nfs/dbraw/zinc/51/00/82/191510082.db2.gz ANLHRELLSBAVGB-ZDUSSCGKSA-N 1 0 303.406 2.030 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000182822816 356147275 /nfs/dbraw/zinc/14/72/75/356147275.db2.gz UQDGAYLNXAFVFA-QGZVFWFLSA-N 1 0 319.449 2.265 10 30 DEEERO N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccccc1Br ZINC000594429920 358267861 /nfs/dbraw/zinc/26/78/61/358267861.db2.gz TUEITIXNQKRGDJ-CYBMUJFWSA-N 1 0 324.222 2.477 10 30 DEEERO CC(=O)N(C)c1ccccc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594445047 358273626 /nfs/dbraw/zinc/27/36/26/358273626.db2.gz OABBXBAVLNDJHZ-ZDUSSCGKSA-N 1 0 302.378 2.019 10 30 DEEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CC1(O)CCC1 ZINC000599283601 359448722 /nfs/dbraw/zinc/44/87/22/359448722.db2.gz ZYEXQMLRXRQQSH-INIZCTEOSA-N 1 0 320.389 2.249 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186774438 200008131 /nfs/dbraw/zinc/00/81/31/200008131.db2.gz MUURBADEFIQDOJ-CQSZACIVSA-N 1 0 322.474 2.356 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cccc(Br)c1OC ZINC000187360225 200101690 /nfs/dbraw/zinc/10/16/90/200101690.db2.gz LRTOCBFBNXNFEX-NSHDSACASA-N 1 0 300.196 2.484 10 30 DEEERO C=CC[C@@]1(C(=O)NCC(CC)(CC)C(=O)OCC)CCC[NH2+]1 ZINC000602591687 360446994 /nfs/dbraw/zinc/44/69/94/360446994.db2.gz YEMPQOMUYHROIC-KRWDZBQOSA-N 1 0 310.438 2.170 10 30 DEEERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1CCC(C#N)CC1 ZINC000442734498 238069253 /nfs/dbraw/zinc/06/92/53/238069253.db2.gz DMGOPXGDIAMBMF-PRLABOORSA-N 1 0 306.454 2.298 10 30 DEEERO N#Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000609252869 361291322 /nfs/dbraw/zinc/29/13/22/361291322.db2.gz IKZOLKWPLKHDLZ-LSDHHAIUSA-N 1 0 316.380 2.123 10 30 DEEERO C=C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(=O)OC ZINC000619702773 363861120 /nfs/dbraw/zinc/86/11/20/363861120.db2.gz RTZQPVYHMCRAIM-VNHYZAJKSA-N 1 0 308.447 2.448 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@H]2COCCN2C)cc1Cl ZINC000623712029 365142062 /nfs/dbraw/zinc/14/20/62/365142062.db2.gz VVQIXZZPHDXXBZ-AWEZNQCLSA-N 1 0 310.825 2.325 10 30 DEEERO C=C1CC(C)(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000630871811 367890561 /nfs/dbraw/zinc/89/05/61/367890561.db2.gz RJRMJCQFTUZTEC-IRXDYDNUSA-N 1 0 319.493 2.360 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@@H+]2C2CCCCC2)C1=O ZINC000630986009 367952313 /nfs/dbraw/zinc/95/23/13/367952313.db2.gz MFLSEMRBSSPIRF-LSDHHAIUSA-N 1 0 305.422 2.280 10 30 DEEERO C=CCCn1cc(C[NH2+][C@](C)(CO)Cc2ccccc2F)nn1 ZINC000631234538 368094393 /nfs/dbraw/zinc/09/43/93/368094393.db2.gz HCOPUNPUUJEMEV-KRWDZBQOSA-N 1 0 318.396 2.077 10 30 DEEERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1ccnc1C#N ZINC000094936794 193406350 /nfs/dbraw/zinc/40/63/50/193406350.db2.gz HBXUXYLCMSNBNN-RNCFNFMXSA-N 1 0 305.179 2.454 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC000453614471 245216740 /nfs/dbraw/zinc/21/67/40/245216740.db2.gz FAEFKCAXVSKWSV-NVXWUHKLSA-N 1 0 300.402 2.494 10 30 DEEERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(CCC#N)C2CC2)c1 ZINC000042549782 183284341 /nfs/dbraw/zinc/28/43/41/183284341.db2.gz BRCSAJUFMQLWSH-LBPRGKRZSA-N 1 0 307.419 2.034 10 30 DEEERO CCN(CC(F)(F)F)C(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000042797831 183310641 /nfs/dbraw/zinc/31/06/41/183310641.db2.gz CLFBPVDGKZTUFU-UHFFFAOYSA-N 1 0 302.271 2.160 10 30 DEEERO CC[C@@H]([NH3+])Cc1ccc(OCC(=O)NCCC#N)c(Cl)c1 ZINC000043492623 183367377 /nfs/dbraw/zinc/36/73/77/183367377.db2.gz HBYXHZDKCCFLTM-GFCCVEGCSA-N 1 0 309.797 2.028 10 30 DEEERO CS(=O)(=O)c1ccc(OCc2sccc2C#CC[NH3+])cc1 ZINC000043685314 183380646 /nfs/dbraw/zinc/38/06/46/183380646.db2.gz UCOBGXZDGWDDDJ-UHFFFAOYSA-N 1 0 321.423 2.041 10 30 DEEERO N#Cc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1F ZINC000105036942 194065393 /nfs/dbraw/zinc/06/53/93/194065393.db2.gz OYNNHJXMFKZGRK-AWEZNQCLSA-N 1 0 302.353 2.399 10 30 DEEERO [NH3+]CC#Cc1ccc(F)c(CNC(=O)Cc2cccs2)c1 ZINC000049587040 183744460 /nfs/dbraw/zinc/74/44/60/183744460.db2.gz GCLDXCFTMRGMAD-UHFFFAOYSA-N 1 0 302.374 2.056 10 30 DEEERO C[C@@H](NS(=O)(=O)c1cccc(C#CC[NH3+])c1)c1ccsc1 ZINC000061372088 184169464 /nfs/dbraw/zinc/16/94/64/184169464.db2.gz QNMIDMSZUXETTP-GFCCVEGCSA-N 1 0 320.439 2.098 10 30 DEEERO Cc1cc(C#CC[NH3+])cc(C(=O)N2CCSC(C)(C)C2)c1 ZINC000159029783 197320502 /nfs/dbraw/zinc/32/05/02/197320502.db2.gz VRIPHJMGVXOUIM-UHFFFAOYSA-N 1 0 302.443 2.273 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000120865131 195252988 /nfs/dbraw/zinc/25/29/88/195252988.db2.gz FGSOJSMRUIKPDO-HNNXBMFYSA-N 1 0 317.433 2.109 10 30 DEEERO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCO1 ZINC000193125337 533344115 /nfs/dbraw/zinc/34/41/15/533344115.db2.gz IKGZPTPDXPYKON-GDBMZVCRSA-N 1 0 301.390 2.090 10 30 DEEERO N#Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(F)c1 ZINC000549260610 285837786 /nfs/dbraw/zinc/83/77/86/285837786.db2.gz DPPOEIUXNOJEDO-DOTOQJQBSA-N 1 0 318.392 2.355 10 30 DEEERO Cn1cc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cc1C#N ZINC000191315759 145055856 /nfs/dbraw/zinc/05/58/56/145055856.db2.gz CMXDDXVEYWYDGP-CYBMUJFWSA-N 1 0 315.808 2.314 10 30 DEEERO N#Cc1ccsc1NC(=O)CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248345666 145151024 /nfs/dbraw/zinc/15/10/24/145151024.db2.gz NARPQPYGGWMMNJ-AWEZNQCLSA-N 1 0 318.446 2.118 10 30 DEEERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(F)c(C#N)c1 ZINC000248871303 145171270 /nfs/dbraw/zinc/17/12/70/145171270.db2.gz VBIDZNBVWFOZJK-NOLJZWGESA-N 1 0 302.349 2.471 10 30 DEEERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000110995472 401696969 /nfs/dbraw/zinc/69/69/69/401696969.db2.gz ZHXDZLYULVTCHZ-GDBMZVCRSA-N 1 0 315.417 2.316 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000089102106 401935482 /nfs/dbraw/zinc/93/54/82/401935482.db2.gz QIKFYCPZKJEMQB-SJORKVTESA-N 1 0 307.482 2.123 10 30 DEEERO CC(C)[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000045885812 401963440 /nfs/dbraw/zinc/96/34/40/401963440.db2.gz NSOSRCSGCDCIIV-AWEZNQCLSA-N 1 0 315.417 2.315 10 30 DEEERO C=CCC[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1ccccc1 ZINC000089515050 401950444 /nfs/dbraw/zinc/95/04/44/401950444.db2.gz WUZCLYHCELYYCX-SJORKVTESA-N 1 0 302.418 2.267 10 30 DEEERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000122032245 402059586 /nfs/dbraw/zinc/05/95/86/402059586.db2.gz FWVSWWQJMVOUPX-LRDDRELGSA-N 1 0 318.396 2.225 10 30 DEEERO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)CCN1C ZINC000123070859 402109068 /nfs/dbraw/zinc/10/90/68/402109068.db2.gz FYPCRUCEUBDDAT-TZMCWYRMSA-N 1 0 320.462 2.363 10 30 DEEERO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C#N)c1 ZINC000067122790 402153122 /nfs/dbraw/zinc/15/31/22/402153122.db2.gz NSGLERQNPFINST-GOSISDBHSA-N 1 0 307.397 2.347 10 30 DEEERO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)c1 ZINC000070788067 402264738 /nfs/dbraw/zinc/26/47/38/402264738.db2.gz KNFFPOSSWZHQQA-CHWSQXEVSA-N 1 0 319.405 2.115 10 30 DEEERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000069873787 402248557 /nfs/dbraw/zinc/24/85/57/402248557.db2.gz PLKJIRWALHKTAC-HNNXBMFYSA-N 1 0 316.424 2.304 10 30 DEEERO CCCCCCC[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000157935127 402300010 /nfs/dbraw/zinc/30/00/10/402300010.db2.gz GNJSBTMMRCXGJH-UHFFFAOYSA-N 1 0 302.426 2.217 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000176575379 402320730 /nfs/dbraw/zinc/32/07/30/402320730.db2.gz PEXXILSLICKAHA-UHFFFAOYSA-N 1 0 310.401 2.149 10 30 DEEERO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc(F)c(C#N)c3)CC2)CCO1 ZINC000176876927 402345374 /nfs/dbraw/zinc/34/53/74/402345374.db2.gz FKWTXVOZVYQFAY-CQSZACIVSA-N 1 0 317.408 2.382 10 30 DEEERO CC(C)C[C@H](CO)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000185345175 402346160 /nfs/dbraw/zinc/34/61/60/402346160.db2.gz NNCBCBBWMNHFCO-CYBMUJFWSA-N 1 0 309.435 2.287 10 30 DEEERO CC[C@@H]1[C@H](C)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000185669534 402368323 /nfs/dbraw/zinc/36/83/23/402368323.db2.gz POVQWWWNEOGJFJ-CZUORRHYSA-N 1 0 306.431 2.452 10 30 DEEERO C=CC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000185811275 402378815 /nfs/dbraw/zinc/37/88/15/402378815.db2.gz MVNDLAIUNHMNSV-IRXDYDNUSA-N 1 0 302.418 2.094 10 30 DEEERO C=CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000185883724 402385837 /nfs/dbraw/zinc/38/58/37/402385837.db2.gz KPKSOUABYYHJIN-WBVHZDCISA-N 1 0 320.408 2.091 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000186199548 402409727 /nfs/dbraw/zinc/40/97/27/402409727.db2.gz PPQAREVXKGRIAF-HOCLYGCPSA-N 1 0 319.449 2.352 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178284508 402479715 /nfs/dbraw/zinc/47/97/15/402479715.db2.gz NCEYIJXDDNCKFX-NVXWUHKLSA-N 1 0 318.465 2.469 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C#N)cc1F ZINC000247462882 402567629 /nfs/dbraw/zinc/56/76/29/402567629.db2.gz QZGICLDFHLJIOU-WFASDCNBSA-N 1 0 316.380 2.075 10 30 DEEERO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000180094954 402607131 /nfs/dbraw/zinc/60/71/31/402607131.db2.gz UTHVHTSEBHYRRZ-QWHCGFSZSA-N 1 0 302.378 2.145 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](C)c2cnn(C)c2)CC1 ZINC000180618368 402621553 /nfs/dbraw/zinc/62/15/53/402621553.db2.gz AKXGCKYNPGGVJP-CQSZACIVSA-N 1 0 319.453 2.163 10 30 DEEERO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1 ZINC000183140099 402742528 /nfs/dbraw/zinc/74/25/28/402742528.db2.gz FPDORAPOJMMOQM-HZMBPMFUSA-N 1 0 307.781 2.307 10 30 DEEERO CC(C)[C@H](CNC(=O)c1ccnc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000192674380 402743981 /nfs/dbraw/zinc/74/39/81/402743981.db2.gz KTAJOGNVCVRCJC-KRWDZBQOSA-N 1 0 314.433 2.440 10 30 DEEERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccnc(C#N)c1 ZINC000192796708 402750281 /nfs/dbraw/zinc/75/02/81/402750281.db2.gz ZWKNRPNAIDZTRH-UHFFFAOYSA-N 1 0 302.422 2.393 10 30 DEEERO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccnc(C#N)c1 ZINC000192968524 402758656 /nfs/dbraw/zinc/75/86/56/402758656.db2.gz RQPYZYXMPPENFA-UHFFFAOYSA-N 1 0 300.406 2.290 10 30 DEEERO C=CCNC(=O)NC(=O)CN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000175155160 402783861 /nfs/dbraw/zinc/78/38/61/402783861.db2.gz HYVWHAJASDTKSP-WBMJQRKESA-N 1 0 319.380 2.220 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000183643128 402784736 /nfs/dbraw/zinc/78/47/36/402784736.db2.gz PPPVRFPFSSXLKL-DOTOQJQBSA-N 1 0 319.449 2.133 10 30 DEEERO CC(=O)c1ccc(C#N)c(NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000273170304 402979308 /nfs/dbraw/zinc/97/93/08/402979308.db2.gz DWRIPHJQBPUMCH-UHFFFAOYSA-N 1 0 314.433 2.199 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CCCCO ZINC000276383956 403169458 /nfs/dbraw/zinc/16/94/58/403169458.db2.gz LWEIWLISTQRWEC-AWEZNQCLSA-N 1 0 310.463 2.356 10 30 DEEERO C#CCC(CC#C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000277431581 403217116 /nfs/dbraw/zinc/21/71/16/403217116.db2.gz MZGJUYMOBQPBKT-UHFFFAOYSA-N 1 0 318.486 2.127 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343034004 403437694 /nfs/dbraw/zinc/43/76/94/403437694.db2.gz WOTUEIUTUCONHC-QAPCUYQASA-N 1 0 323.481 2.038 10 30 DEEERO Cn1nccc1[C@@H]1[C@H](C[NH2+]Cc2ccc(C#N)cc2)CCCN1C ZINC000343473086 403605022 /nfs/dbraw/zinc/60/50/22/403605022.db2.gz ZIPNPBITBNLXMN-HKUYNNGSSA-N 1 0 323.444 2.464 10 30 DEEERO N#Cc1ccc(N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000301723506 403670052 /nfs/dbraw/zinc/67/00/52/403670052.db2.gz OGTGWNRUMRUJPR-GJZGRUSLSA-N 1 0 303.381 2.123 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000288249746 403742944 /nfs/dbraw/zinc/74/29/44/403742944.db2.gz STMOBKPPOAJECV-OALUTQOASA-N 1 0 323.440 2.277 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](CC)CC1 ZINC000288249691 403743346 /nfs/dbraw/zinc/74/33/46/403743346.db2.gz SSSJCTWLOGDSJL-SFHVURJKSA-N 1 0 313.445 2.358 10 30 DEEERO C#CCC(CC#C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000288391482 403748018 /nfs/dbraw/zinc/74/80/18/403748018.db2.gz YQHXXSWRYPKUCY-BGYRXZFFSA-N 1 0 320.436 2.240 10 30 DEEERO C=CCc1ccc(OCC(=O)NC[C@@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000347756568 403848986 /nfs/dbraw/zinc/84/89/86/403848986.db2.gz ZCHBQUHIXDNTIL-HNNXBMFYSA-N 1 0 318.417 2.013 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2OCCOC)cc1 ZINC000362529823 403962036 /nfs/dbraw/zinc/96/20/36/403962036.db2.gz UEHTYOWRYNJXGC-MSOLQXFVSA-N 1 0 321.417 2.162 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(Br)cc1C#N ZINC000297054750 404430787 /nfs/dbraw/zinc/43/07/87/404430787.db2.gz IOLTZRZQCKAVHL-GXFFZTMASA-N 1 0 321.222 2.389 10 30 DEEERO C=CCn1c(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)nnc1C(C)(C)C ZINC000351077527 404510461 /nfs/dbraw/zinc/51/04/61/404510461.db2.gz WOYQDEDPKRLKGS-CQSZACIVSA-N 1 0 303.454 2.435 10 30 DEEERO C=CCn1c(CC2CC2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000351072349 404510978 /nfs/dbraw/zinc/51/09/78/404510978.db2.gz GUBCDBUEIIKOMQ-UKRRQHHQSA-N 1 0 301.438 2.090 10 30 DEEERO C=CCC1(C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CCC1 ZINC000358301213 404758721 /nfs/dbraw/zinc/75/87/21/404758721.db2.gz YGWCNOKNKPFLPJ-UHFFFAOYSA-N 1 0 315.417 2.485 10 30 DEEERO C=C(C)Cn1c(C2CC2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000359109415 404784321 /nfs/dbraw/zinc/78/43/21/404784321.db2.gz OMEWMQNTSDTPAH-ZFWWWQNUSA-N 1 0 301.438 2.405 10 30 DEEERO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000434739131 404930821 /nfs/dbraw/zinc/93/08/21/404930821.db2.gz TXNOLRVZBAFMNG-HUUCEWRRSA-N 1 0 300.468 2.231 10 30 DEEERO C=CCC1(CNS(=O)(=O)CC[NH+](CC)CC)CCCC1 ZINC000451959262 405107362 /nfs/dbraw/zinc/10/73/62/405107362.db2.gz MRPDQOPJAPKNLC-UHFFFAOYSA-N 1 0 302.484 2.384 10 30 DEEERO C=CCC1(C(=O)NCC2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000424816100 405187412 /nfs/dbraw/zinc/18/74/12/405187412.db2.gz ZGQPSQSGSDWSMH-UHFFFAOYSA-N 1 0 306.450 2.350 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000438849033 405255851 /nfs/dbraw/zinc/25/58/51/405255851.db2.gz JDLNUSASPJHGEF-HOTGVXAUSA-N 1 0 321.465 2.095 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000425639920 405309396 /nfs/dbraw/zinc/30/93/96/405309396.db2.gz OIBBFTMBULTLCD-JYJNAYRXSA-N 1 0 309.454 2.141 10 30 DEEERO C=CCc1cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc(OC)c1O ZINC000449466002 405574470 /nfs/dbraw/zinc/57/44/70/405574470.db2.gz FOBAZVORNOWGPQ-INIZCTEOSA-N 1 0 313.344 2.331 10 30 DEEERO C=CCOc1ccc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)cc1OC ZINC000449676321 405685132 /nfs/dbraw/zinc/68/51/32/405685132.db2.gz GIPDRKZFZPIJMJ-ZBFHGGJFSA-N 1 0 321.417 2.232 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000459040349 405709303 /nfs/dbraw/zinc/70/93/03/405709303.db2.gz KBLWSEHFHAMVQY-ZACQAIPSSA-N 1 0 321.465 2.380 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)c2cc(C)cc(C(=O)OC)c2)CC1 ZINC000457542405 405889765 /nfs/dbraw/zinc/88/97/65/405889765.db2.gz MFNIWOUBIADUGD-UHFFFAOYSA-N 1 0 316.401 2.162 10 30 DEEERO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000639642695 406184228 /nfs/dbraw/zinc/18/42/28/406184228.db2.gz VGJHKCADPADXSE-MAUKXSAKSA-N 1 0 323.433 2.062 10 30 DEEERO C=CCCCCCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000568245704 406216987 /nfs/dbraw/zinc/21/69/87/406216987.db2.gz WAWCDLIPFBPJRF-UHFFFAOYSA-N 1 0 315.417 2.133 10 30 DEEERO C=CCOc1cccnc1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634763102 406271544 /nfs/dbraw/zinc/27/15/44/406271544.db2.gz NXTRHYTZSRNOGT-ZDUSSCGKSA-N 1 0 303.406 2.154 10 30 DEEERO C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000570713405 406431106 /nfs/dbraw/zinc/43/11/06/406431106.db2.gz NYMLZKVSOIPHRO-ZNMIVQPWSA-N 1 0 322.449 2.073 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000572643251 406711736 /nfs/dbraw/zinc/71/17/36/406711736.db2.gz PIPZJOPNNZESOK-CHWSQXEVSA-N 1 0 303.324 2.135 10 30 DEEERO C#CC[C@H](CC)[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000129790916 196076377 /nfs/dbraw/zinc/07/63/77/196076377.db2.gz ILOPOARBGYAHGJ-JTQLQIEISA-N 1 0 307.195 2.383 10 30 DEEERO COCc1nc(Nc2cc(C#N)ccc2Cl)cc(NN)[nH+]1 ZINC000133068252 196309423 /nfs/dbraw/zinc/30/94/23/196309423.db2.gz TVFXZXXZNYKKAB-UHFFFAOYSA-N 1 0 304.741 2.177 10 30 DEEERO C[C@@H]1C[NH2+]C[C@@H](COc2ccc(C(F)(F)F)cc2C#N)O1 ZINC000133816964 196338370 /nfs/dbraw/zinc/33/83/70/196338370.db2.gz XXLCXCHJJOGPBJ-SKDRFNHKSA-N 1 0 300.280 2.333 10 30 DEEERO [NH2+]=C(NCc1nccn1CC(F)(F)F)NC1CCCCC1 ZINC000262014407 225264655 /nfs/dbraw/zinc/26/46/55/225264655.db2.gz VNNHNFSIFCMTAW-UHFFFAOYSA-N 1 0 303.332 2.182 10 30 DEEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262363458 225268444 /nfs/dbraw/zinc/26/84/44/225268444.db2.gz HGBKLBPLCVNNTK-NWANDNLSSA-N 1 0 303.406 2.373 10 30 DEEERO [NH2+]=C(NC[C@H]1CCC[C@@H]1O)Nc1ccc(OC(F)(F)F)cc1 ZINC000262515179 225275648 /nfs/dbraw/zinc/27/56/48/225275648.db2.gz FYDRYCLHVYPGJO-SKDRFNHKSA-N 1 0 317.311 2.473 10 30 DEEERO C[C@H]1CCCN(C(=[NH2+])NC[C@@H](O)c2ccc(Cl)s2)C1 ZINC000262524454 225276515 /nfs/dbraw/zinc/27/65/15/225276515.db2.gz KEVITJLUHFKJFJ-VHSXEESVSA-N 1 0 301.843 2.482 10 30 DEEERO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000262855857 225287046 /nfs/dbraw/zinc/28/70/46/225287046.db2.gz YBHXABPPTLWSFS-NFAWXSAZSA-N 1 0 317.389 2.142 10 30 DEEERO Cc1nc(CNC(=[NH2+])NC(C)(C)C)sc1Br ZINC000263192318 225293670 /nfs/dbraw/zinc/29/36/70/225293670.db2.gz VYLIVYIDJWETKS-UHFFFAOYSA-N 1 0 305.245 2.417 10 30 DEEERO [NH2+]=C(NCCc1cccs1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261613125 225252389 /nfs/dbraw/zinc/25/23/89/225252389.db2.gz GDMWCZUTLBNUOL-MJBXVCDLSA-N 1 0 305.447 2.153 10 30 DEEERO CCOc1ccc(C#N)cc1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333846053 268995641 /nfs/dbraw/zinc/99/56/41/268995641.db2.gz PECRRIQBUVNSIK-UHFFFAOYSA-N 1 0 314.389 2.317 10 30 DEEERO C=CC[C@@H](CO)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000182920138 275433451 /nfs/dbraw/zinc/43/34/51/275433451.db2.gz MIZHNCHWAMIMQC-IRXDYDNUSA-N 1 0 317.433 2.060 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])N2CCC[C@H](C)C2)C12CCOCC2 ZINC000184642673 276343148 /nfs/dbraw/zinc/34/31/48/276343148.db2.gz MIVYNGCAZRHZQL-RRFJBIMHSA-N 1 0 309.454 2.007 10 30 DEEERO C[NH+]=C(NCC(=O)NC(C)(C)C)N1CCC2(C1)CCCCC2 ZINC000262447627 277749189 /nfs/dbraw/zinc/74/91/89/277749189.db2.gz JCVNFDADESANNL-UHFFFAOYSA-N 1 0 308.470 2.133 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCCC[C@H]2C(F)(F)F)CCO1 ZINC000262298036 277810045 /nfs/dbraw/zinc/81/00/45/277810045.db2.gz JRVYGWYYGRRDNJ-IJLUTSLNSA-N 1 0 307.360 2.391 10 30 DEEERO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[N@@H+]1CCC[C@@H](C)C1 ZINC000329441120 289394994 /nfs/dbraw/zinc/39/49/94/289394994.db2.gz BGEFCCRTDUQKLJ-RBGFHDKUSA-N 1 0 310.438 2.115 10 30 DEEERO C=CCCCCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000517757448 331755054 /nfs/dbraw/zinc/75/50/54/331755054.db2.gz RJTZXSWWUNRFCA-UHFFFAOYSA-N 1 0 323.481 2.487 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000572643253 332743603 /nfs/dbraw/zinc/74/36/03/332743603.db2.gz PIPZJOPNNZESOK-QWHCGFSZSA-N 1 0 303.324 2.135 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178333004 337162128 /nfs/dbraw/zinc/16/21/28/337162128.db2.gz KKMZKLFCNBFBCV-MRXNPFEDSA-N 1 0 304.438 2.081 10 30 DEEERO C[C@@]1(CNc2ccnc(C#N)n2)CCC[N@@H+]1Cc1ccccc1 ZINC000397934941 337300894 /nfs/dbraw/zinc/30/08/94/337300894.db2.gz WVZLFISCRZWANE-SFHVURJKSA-N 1 0 307.401 2.237 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000576339460 341841119 /nfs/dbraw/zinc/84/11/19/341841119.db2.gz PSOOPAMOBKEVKE-NXOAAHMSSA-N 1 0 321.465 2.141 10 30 DEEERO N#Cc1cc(Br)cnc1NCC[N@H+]1CC=CCC1 ZINC000296712639 534768670 /nfs/dbraw/zinc/76/86/70/534768670.db2.gz GOXYZJUAUBASLI-UHFFFAOYSA-N 1 0 307.195 2.390 10 30 DEEERO C[NH+]=C(NC1CCC1)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000261849425 526344597 /nfs/dbraw/zinc/34/45/97/526344597.db2.gz XUMWRJKHFWPHCI-GFCCVEGCSA-N 1 0 308.376 2.261 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418498286 526348848 /nfs/dbraw/zinc/34/88/48/526348848.db2.gz LSNALPCLFRSVOL-HNNXBMFYSA-N 1 0 318.377 2.030 10 30 DEEERO C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000262815231 526366845 /nfs/dbraw/zinc/36/68/45/526366845.db2.gz VNGBZURNJBBGOR-ARFHVFGLSA-N 1 0 303.454 2.325 10 30 DEEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000262784828 526376237 /nfs/dbraw/zinc/37/62/37/526376237.db2.gz MCLOULUXWWQQSH-QCNOEVLYSA-N 1 0 307.360 2.043 10 30 DEEERO C[NH+]=C(NCc1noc(C)n1)N1CC[C@](C)(c2ccccc2)C1 ZINC000261766014 526393657 /nfs/dbraw/zinc/39/36/57/526393657.db2.gz NLDQTSMVZHYNRD-KRWDZBQOSA-N 1 0 313.405 2.117 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2C(F)F)CC1 ZINC000337690658 526425741 /nfs/dbraw/zinc/42/57/41/526425741.db2.gz OATKLZFICDXQBP-ZDUSSCGKSA-N 1 0 301.381 2.466 10 30 DEEERO C=CCN1CC[C@@H]([N@H+](CC)[C@H](COC)Cc2ccccc2)C1=O ZINC000337188250 526475006 /nfs/dbraw/zinc/47/50/06/526475006.db2.gz QDKZJRCRSBLRFR-ZWKOTPCHSA-N 1 0 316.445 2.353 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)C1=O ZINC000337175031 526515687 /nfs/dbraw/zinc/51/56/87/526515687.db2.gz HSIVWQIRXCKWGO-IXDOHACOSA-N 1 0 300.402 2.141 10 30 DEEERO C=CCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000378600001 526779777 /nfs/dbraw/zinc/77/97/77/526779777.db2.gz XXCRLPGHKGKDNO-HOTGVXAUSA-N 1 0 321.396 2.073 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000341278961 526888765 /nfs/dbraw/zinc/88/87/65/526888765.db2.gz VFXBFMMCXKOPIS-NVXWUHKLSA-N 1 0 307.434 2.499 10 30 DEEERO C=CCOc1cccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC000418115471 526902658 /nfs/dbraw/zinc/90/26/58/526902658.db2.gz PJBDENMCIACICO-HZPDHXFCSA-N 1 0 304.434 2.138 10 30 DEEERO C=CC[C@H]1N(C(=O)CN2CC[NH+](CC)CC2)CCCC1(C)C ZINC000444631423 527223978 /nfs/dbraw/zinc/22/39/78/527223978.db2.gz LQVYSGJZVFXNCK-MRXNPFEDSA-N 1 0 307.482 2.217 10 30 DEEERO C=CCC[C@H](CCC)[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000337528733 527467500 /nfs/dbraw/zinc/46/75/00/527467500.db2.gz COKUKJQOHUNZFH-KKUMJFAQSA-N 1 0 302.484 2.429 10 30 DEEERO CC(C)CNC(=[NH2+])NCc1cn2cc(Br)ccc2n1 ZINC000261973126 527956676 /nfs/dbraw/zinc/95/66/76/527956676.db2.gz DXQWZRXHJUURIE-UHFFFAOYSA-N 1 0 324.226 2.157 10 30 DEEERO CC[NH+]=C(NCC1CC1)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000261955237 528803400 /nfs/dbraw/zinc/80/34/00/528803400.db2.gz IOKJCFBUXDLBHG-HNNXBMFYSA-N 1 0 303.454 2.286 10 30 DEEERO CC[NH+]=C(NCCC1=CCCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261686416 528805391 /nfs/dbraw/zinc/80/53/91/528805391.db2.gz DQTSHEMKYBSAJI-SFHVURJKSA-N 1 0 318.465 2.054 10 30 DEEERO CC[NH+]=C(NCc1ncc(CC)s1)N[C@@H]1CCC[C@H]1C#N ZINC000262459370 528818915 /nfs/dbraw/zinc/81/89/15/528818915.db2.gz XFXQJTBEAUSQEM-WCQYABFASA-N 1 0 305.451 2.453 10 30 DEEERO CC(C)S(=O)(=O)NN=C1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000734365940 633363581 /nfs/dbraw/zinc/36/35/81/633363581.db2.gz YPZCYEUIDPSSHT-CQSZACIVSA-N 1 0 323.462 2.212 10 30 DEEERO COc1ccc(NC(=[NH2+])NC[C@H]2CCC(C)(C)O2)cc1OC ZINC000186888643 636586777 /nfs/dbraw/zinc/58/67/77/636586777.db2.gz CGCRPJIPUZIETI-GFCCVEGCSA-N 1 0 307.394 2.388 10 30 DEEERO CC[NH+]=C(NCCN1CCC1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000261861328 636628513 /nfs/dbraw/zinc/62/85/13/636628513.db2.gz ZIAMHYZXMVSOQN-LJQANCHMSA-N 1 0 314.477 2.321 10 30 DEEERO COc1ccc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1C#N ZINC000747613836 638454249 /nfs/dbraw/zinc/45/42/49/638454249.db2.gz HNFZSOLYPXAQRN-IHRRRGAJSA-N 1 0 315.417 2.444 10 30 DEEERO CNC(=[NH2+])NCc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000303267348 639406909 /nfs/dbraw/zinc/40/69/09/639406909.db2.gz XCRJPPFTJSGXAS-UHFFFAOYSA-N 1 0 320.400 2.028 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000805183673 640091082 /nfs/dbraw/zinc/09/10/82/640091082.db2.gz JUULTFKMAXRYQT-DLBZAZTESA-N 1 0 311.429 2.157 10 30 DEEERO C#CC[N@H+]1CCC[C@@H]1COC(=O)Cc1ccc(C)c(OC)c1 ZINC000729809998 640843554 /nfs/dbraw/zinc/84/35/54/640843554.db2.gz QOOQPOIAKONSSL-MRXNPFEDSA-N 1 0 301.386 2.187 10 30 DEEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000172610009 646745195 /nfs/dbraw/zinc/74/51/95/646745195.db2.gz DXXSTZITEKDJHB-ZDUSSCGKSA-N 1 0 311.389 2.194 10 30 DEEERO C#CC[NH+](CC#C)CCC(=O)Nc1ccc(Br)cc1 ZINC000174529018 646813492 /nfs/dbraw/zinc/81/34/92/646813492.db2.gz VHGFLPQXWFPZIA-UHFFFAOYSA-N 1 0 319.202 2.346 10 30 DEEERO C#CCOc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000731113583 647448023 /nfs/dbraw/zinc/44/80/23/647448023.db2.gz FYQWCSZJODSTAK-AWEZNQCLSA-N 1 0 301.390 2.162 10 30 DEEERO COc1ccc(CNC(=[NH2+])NCCCCSC)cc1OC ZINC000304757939 685260081 /nfs/dbraw/zinc/26/00/81/685260081.db2.gz PJNDSXLERFTEEU-UHFFFAOYSA-N 1 0 311.451 2.251 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1c(C)nn(C)c1Cl ZINC000121310716 684106868 /nfs/dbraw/zinc/10/68/68/684106868.db2.gz PVUVCBJXVWSDCT-LLVKDONJSA-N 1 0 311.813 2.272 10 30 DEEERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1OCC#N ZINC000194160483 685058960 /nfs/dbraw/zinc/05/89/60/685058960.db2.gz ICTFMNUERSNVGZ-CQSZACIVSA-N 1 0 301.390 2.193 10 30 DEEERO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000886079868 691998803 /nfs/dbraw/zinc/99/88/03/691998803.db2.gz KKVMXIWVHLLAJU-DYVFJYSZSA-N 1 0 314.389 2.369 10 30 DEEERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ncc(Br)cc1C#N ZINC000720827602 1086177208 /nfs/dbraw/zinc/17/72/08/1086177208.db2.gz DPSAGUGTNNRYSW-OLZOCXBDSA-N 1 0 321.222 2.389 10 30 DEEERO Cc1c(Cl)cnc(Nc2cnn(CC[NH+](C)C)c2)c1C#N ZINC000612074315 361739313 /nfs/dbraw/zinc/73/93/13/361739313.db2.gz FVQYDOADVVZPNJ-UHFFFAOYSA-N 1 0 304.785 2.417 10 30 DEEERO C=CCN(CC)S(=O)(=O)c1cc(C[NH2+]CC)ccc1F ZINC000162581210 197577016 /nfs/dbraw/zinc/57/70/16/197577016.db2.gz RDXFPKJMXFUXLA-UHFFFAOYSA-N 1 0 300.399 2.132 10 30 DEEERO N#C[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000612729641 361902630 /nfs/dbraw/zinc/90/26/30/361902630.db2.gz AOOIIXDHTJONCZ-HZPDHXFCSA-N 1 0 301.365 2.381 10 30 DEEERO N#C[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000612729642 361903144 /nfs/dbraw/zinc/90/31/44/361903144.db2.gz AOOIIXDHTJONCZ-JKSUJKDBSA-N 1 0 301.365 2.381 10 30 DEEERO CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1ccccc1C#CC[NH3+] ZINC000088310903 185245201 /nfs/dbraw/zinc/24/52/01/185245201.db2.gz LLPYNQFRWCZOML-UONOGXRCSA-N 1 0 308.447 2.100 10 30 DEEERO C=CC[C@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000614065917 362274534 /nfs/dbraw/zinc/27/45/34/362274534.db2.gz XVPGGPBYUABWPT-PKOBYXMFSA-N 1 0 316.445 2.261 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000625699533 365874958 /nfs/dbraw/zinc/87/49/58/365874958.db2.gz AGHFEQHXQKAYMC-AWEZNQCLSA-N 1 0 306.381 2.219 10 30 DEEERO C=CC[C@@H]1CC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000625702323 365874211 /nfs/dbraw/zinc/87/42/11/365874211.db2.gz XIDOFBUNLGWFKC-GDBMZVCRSA-N 1 0 300.402 2.004 10 30 DEEERO CC#CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794741 365905011 /nfs/dbraw/zinc/90/50/11/365905011.db2.gz MCTTUICUSHWPCA-OAHLLOKOSA-N 1 0 308.219 2.282 10 30 DEEERO [NH3+]CC#Cc1ccsc1CNC(=O)Cc1cccc(F)c1 ZINC000148647835 186045627 /nfs/dbraw/zinc/04/56/27/186045627.db2.gz JGOQFILKXSWLEE-UHFFFAOYSA-N 1 0 302.374 2.056 10 30 DEEERO CCn1cc(Cl)cc1C(=O)NCc1sccc1C#CC[NH3+] ZINC000148667456 186045633 /nfs/dbraw/zinc/04/56/33/186045633.db2.gz YNCOUIZVIIBMSJ-UHFFFAOYSA-N 1 0 321.833 2.463 10 30 DEEERO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](c3ccc(OC)c(F)c3)C2)C1=O ZINC000626126355 366063736 /nfs/dbraw/zinc/06/37/36/366063736.db2.gz MTIAXLVRNAELCC-GOEBONIOSA-N 1 0 318.392 2.411 10 30 DEEERO C=CCN(C(=O)CC[N@@H+]1CCc2ccccc2C1)[C@@H](C)COC ZINC000617582679 363196183 /nfs/dbraw/zinc/19/61/83/363196183.db2.gz RZWOQLFNMQOKIS-INIZCTEOSA-N 1 0 316.445 2.484 10 30 DEEERO CN(C(=O)CNC(=O)C1CCCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000329684580 539927447 /nfs/dbraw/zinc/92/74/47/539927447.db2.gz ZPMWOHRXTMLPNK-HNNXBMFYSA-N 1 0 307.438 2.076 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000076735685 355165319 /nfs/dbraw/zinc/16/53/19/355165319.db2.gz IZRLPXRBXFZSRM-UHFFFAOYSA-N 1 0 321.490 2.290 10 30 DEEERO COC(=O)CCN(O)C(=O)CCCCCCCC[NH+](C)C ZINC000096023967 355698122 /nfs/dbraw/zinc/69/81/22/355698122.db2.gz KDYRPQNFCURCQB-UHFFFAOYSA-N 1 0 302.415 2.060 10 30 DEEERO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000595603211 358497747 /nfs/dbraw/zinc/49/77/47/358497747.db2.gz KZPLSVLLVLBASW-LZWOXQAQSA-N 1 0 310.438 2.025 10 30 DEEERO N#Cc1ccc([N+](=O)[O-])c(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000145369372 355905825 /nfs/dbraw/zinc/90/58/25/355905825.db2.gz IAOWEKCITRAWNK-INIZCTEOSA-N 1 0 311.341 2.160 10 30 DEEERO C=CCCC[C@H](C)NC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000181087826 356072555 /nfs/dbraw/zinc/07/25/55/356072555.db2.gz JBLZEGYNBZTIFH-JKSUJKDBSA-N 1 0 311.470 2.483 10 30 DEEERO C[C@H](C#N)CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000182617383 356133059 /nfs/dbraw/zinc/13/30/59/356133059.db2.gz DOUCHLALLUWYFK-NVXWUHKLSA-N 1 0 314.433 2.500 10 30 DEEERO N#Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c(Br)c1 ZINC000085363125 192495486 /nfs/dbraw/zinc/49/54/86/192495486.db2.gz PGOBATZRCLPVGB-MWLCHTKSSA-N 1 0 308.179 2.387 10 30 DEEERO C=C[C@@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000379617799 356668090 /nfs/dbraw/zinc/66/80/90/356668090.db2.gz NOYFYMWMESRLOL-IAGOWNOFSA-N 1 0 302.418 2.358 10 30 DEEERO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626893756 366352404 /nfs/dbraw/zinc/35/24/04/366352404.db2.gz QXKUSJSQFLCTQO-HIFRSBDPSA-N 1 0 315.417 2.000 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000626843224 366343530 /nfs/dbraw/zinc/34/35/30/366343530.db2.gz KIAMSVTVMQDLOI-UHFFFAOYSA-N 1 0 303.406 2.111 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccccc1F ZINC000593064804 357999870 /nfs/dbraw/zinc/99/98/70/357999870.db2.gz PTTBCCGDVPSMAD-RISCZKNCSA-N 1 0 307.369 2.267 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2Cc3ccc(C#N)cc3C2)CC1 ZINC000594221559 358226623 /nfs/dbraw/zinc/22/66/23/358226623.db2.gz QHBBRYOZLUDSKZ-UHFFFAOYSA-N 1 0 310.401 2.234 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000595877785 358570507 /nfs/dbraw/zinc/57/05/07/358570507.db2.gz KDLGGSQALGRFSP-UKRRQHHQSA-N 1 0 315.417 2.049 10 30 DEEERO C=CC[C@@]1(C(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)CCC[NH2+]1 ZINC000595958493 358586678 /nfs/dbraw/zinc/58/66/78/358586678.db2.gz RHUJKFNZNVJTIJ-KSSFIOAISA-N 1 0 322.449 2.123 10 30 DEEERO C=CCCC(C)(C)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000601968988 360213214 /nfs/dbraw/zinc/21/32/14/360213214.db2.gz QFTXDONKUKYLPY-UHFFFAOYSA-N 1 0 321.446 2.309 10 30 DEEERO C=CCN(CCC#N)C(=O)[C@H]1CCN1Cc1ccc(OC)cc1 ZINC000602154403 360289138 /nfs/dbraw/zinc/28/91/38/360289138.db2.gz RXYORMSXHVUVPN-QGZVFWFLSA-N 1 0 313.401 2.198 10 30 DEEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@]1(OC)CCOC1 ZINC000602452754 360379426 /nfs/dbraw/zinc/37/94/26/360379426.db2.gz IISMWGHNPFVHKY-INIZCTEOSA-N 1 0 306.362 2.388 10 30 DEEERO C[NH+](C)C1(CNC(=O)NCc2ccc(C#N)cc2F)CCCC1 ZINC000609254397 361291177 /nfs/dbraw/zinc/29/11/77/361291177.db2.gz PSEWZOOFHRQFMT-UHFFFAOYSA-N 1 0 318.396 2.371 10 30 DEEERO CO[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000619426050 363789677 /nfs/dbraw/zinc/78/96/77/363789677.db2.gz PSDUVESHZIGQDY-IAGOWNOFSA-N 1 0 314.433 2.469 10 30 DEEERO C=C(C)[C@H](CO)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611237536 361556589 /nfs/dbraw/zinc/55/65/89/361556589.db2.gz MKGAHTPNBHDECK-INIZCTEOSA-N 1 0 306.362 2.375 10 30 DEEERO C=C[C@@H](C(=O)OC)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000619718562 363865096 /nfs/dbraw/zinc/86/50/96/363865096.db2.gz PNEOOJREKQPXBW-WBVHZDCISA-N 1 0 302.418 2.310 10 30 DEEERO N#Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c(Br)c1 ZINC000091543571 193071679 /nfs/dbraw/zinc/07/16/79/193071679.db2.gz FRBSXSRAAIHHCM-VHSXEESVSA-N 1 0 308.179 2.387 10 30 DEEERO C=CCCO[C@H](C)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000629417589 367194308 /nfs/dbraw/zinc/19/43/08/367194308.db2.gz HCAYAKNJSJUFIM-MRXNPFEDSA-N 1 0 324.465 2.071 10 30 DEEERO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC000630786329 367845200 /nfs/dbraw/zinc/84/52/00/367845200.db2.gz MLKGQHHGTHYPIB-JKSUJKDBSA-N 1 0 315.417 2.271 10 30 DEEERO N#Cc1csc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000093012223 193194059 /nfs/dbraw/zinc/19/40/59/193194059.db2.gz WTMSESLZVOVICX-HNNXBMFYSA-N 1 0 305.447 2.306 10 30 DEEERO Cc1cc(C(=O)NCc2cnc(C)s2)sc1C#CC[NH3+] ZINC000094536495 193378482 /nfs/dbraw/zinc/37/84/82/193378482.db2.gz OFHFGIFRZSSCKT-UHFFFAOYSA-N 1 0 305.428 2.062 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](COC)CC2)CC1 ZINC000458312981 248257729 /nfs/dbraw/zinc/25/77/29/248257729.db2.gz BWOPVOPEFKEJGN-INIZCTEOSA-N 1 0 323.481 2.485 10 30 DEEERO CCCOc1ccc(-c2nc(C#N)c(N3CC[NH2+]CC3)o2)cc1 ZINC000040165749 183043038 /nfs/dbraw/zinc/04/30/38/183043038.db2.gz SPZGLDRGHVRDBF-UHFFFAOYSA-N 1 0 312.373 2.412 10 30 DEEERO CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000042448364 183271955 /nfs/dbraw/zinc/27/19/55/183271955.db2.gz JMLWNKJDEJHLMO-QWHCGFSZSA-N 1 0 309.435 2.137 10 30 DEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000042364680 183259068 /nfs/dbraw/zinc/25/90/68/183259068.db2.gz MSTNZMMAHQPWBY-JGGQBBKZSA-N 1 0 302.443 2.453 10 30 DEEERO Cn1nccc1[C@H]1[C@H](CNc2cc(C#N)ccn2)CCC[N@@H+]1C ZINC000284989369 218249605 /nfs/dbraw/zinc/24/96/05/218249605.db2.gz SRMWONBSIXHXBQ-WMLDXEAASA-N 1 0 310.405 2.182 10 30 DEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000110663476 194348039 /nfs/dbraw/zinc/34/80/39/194348039.db2.gz JYAWXDOSPARDAE-MRXNPFEDSA-N 1 0 317.433 2.224 10 30 DEEERO CCN(CCC(=O)Nc1sccc1C#N)[C@H]1CCC[NH2+]C1 ZINC000110942975 194372007 /nfs/dbraw/zinc/37/20/07/194372007.db2.gz XOKNQGOVCZRBLQ-ZDUSSCGKSA-N 1 0 306.435 2.022 10 30 DEEERO C=C(C)COc1cc(C[NH2+][C@@H]2CCC(=O)N(C)C2)ccc1OC ZINC000119960145 195070225 /nfs/dbraw/zinc/07/02/25/195070225.db2.gz LHRNBFFSVFCBFE-OAHLLOKOSA-N 1 0 318.417 2.361 10 30 DEEERO CC1(C)CN(C(=O)c2ccc(C#CC[NH3+])cc2F)CCS1 ZINC000159026564 197319478 /nfs/dbraw/zinc/31/94/78/197319478.db2.gz JNTLZYFLTBPOIY-UHFFFAOYSA-N 1 0 306.406 2.104 10 30 DEEERO C#CCN(CC)S(=O)(=O)c1c(C)oc(C)c1C[NH2+]CCC ZINC000157975137 197232478 /nfs/dbraw/zinc/23/24/78/197232478.db2.gz IQADHRAGGXWOED-UHFFFAOYSA-N 1 0 312.435 2.040 10 30 DEEERO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCC[C@@H]1O ZINC000157260153 197174010 /nfs/dbraw/zinc/17/40/10/197174010.db2.gz PCCAGYAJBXHKND-STQMWFEESA-N 1 0 307.419 2.184 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000188365119 145011317 /nfs/dbraw/zinc/01/13/17/145011317.db2.gz MMFMRRUTAHBZMA-PBHICJAKSA-N 1 0 311.429 2.435 10 30 DEEERO N#Cc1ccc(C2(C(=O)N3CCN4CCCC[C@@H]4C3)CC2)cc1 ZINC000188980268 145020489 /nfs/dbraw/zinc/02/04/89/145020489.db2.gz DSRHCPWJXMZOPV-QGZVFWFLSA-N 1 0 309.413 2.287 10 30 DEEERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(OCC#N)cc1 ZINC000110630919 401692429 /nfs/dbraw/zinc/69/24/29/401692429.db2.gz LOGCKXDCCVUEIL-HNNXBMFYSA-N 1 0 315.417 2.122 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000113267776 401773760 /nfs/dbraw/zinc/77/37/60/401773760.db2.gz HJULUWFPVMEMQM-RHSMWYFYSA-N 1 0 312.417 2.055 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128531026 401781573 /nfs/dbraw/zinc/78/15/73/401781573.db2.gz XRAFFPMDGFRAIL-HZPDHXFCSA-N 1 0 302.422 2.157 10 30 DEEERO N#Cc1cccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128674136 401787681 /nfs/dbraw/zinc/78/76/81/401787681.db2.gz XOEPLQLSZDEDSC-IRXDYDNUSA-N 1 0 323.400 2.467 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000081573386 401897410 /nfs/dbraw/zinc/89/74/10/401897410.db2.gz UAZAWDWZCTTXBL-GOSISDBHSA-N 1 0 322.412 2.464 10 30 DEEERO C=CCCC[N@@H+](C)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000121106515 402015757 /nfs/dbraw/zinc/01/57/57/402015757.db2.gz UNATUXMNXKKJSA-INIZCTEOSA-N 1 0 306.406 2.283 10 30 DEEERO CC[NH+](CC)C[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093693147 402019361 /nfs/dbraw/zinc/01/93/61/402019361.db2.gz JBOLNUIIUOTOMI-MRXNPFEDSA-N 1 0 311.433 2.370 10 30 DEEERO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000152940235 402118295 /nfs/dbraw/zinc/11/82/95/402118295.db2.gz HNEJQLJCLLMSKL-WMZOPIPTSA-N 1 0 321.465 2.464 10 30 DEEERO CCCC(=O)N[C@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000101564935 402149039 /nfs/dbraw/zinc/14/90/39/402149039.db2.gz TWGBONNPUKNKAX-INIZCTEOSA-N 1 0 315.417 2.318 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CC[NH2+]CC1 ZINC000153845125 402174102 /nfs/dbraw/zinc/17/41/02/402174102.db2.gz GGCXBUBEQHNBSV-UHFFFAOYSA-N 1 0 317.389 2.499 10 30 DEEERO CCN(CCc1nccs1)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000159147942 402318115 /nfs/dbraw/zinc/31/81/15/402318115.db2.gz VJZGPXQWGDRJRS-HNNXBMFYSA-N 1 0 308.451 2.062 10 30 DEEERO C[NH+](C)CC1(CNCc2cnc3ccc(C#N)cn23)CCCC1 ZINC000185291934 402341521 /nfs/dbraw/zinc/34/15/21/402341521.db2.gz MINZVJXZAWRFJV-UHFFFAOYSA-N 1 0 311.433 2.418 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000185240076 402338229 /nfs/dbraw/zinc/33/82/29/402338229.db2.gz RUTGBSLRSATNEH-UONOGXRCSA-N 1 0 323.462 2.121 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178505206 402505714 /nfs/dbraw/zinc/50/57/14/402505714.db2.gz KEKXLSWBTOEVDF-GJZGRUSLSA-N 1 0 324.465 2.463 10 30 DEEERO CNC(=O)[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(C)C ZINC000178951980 402558970 /nfs/dbraw/zinc/55/89/70/402558970.db2.gz IPEKPPHDIZKRIT-INIZCTEOSA-N 1 0 303.406 2.229 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246403023 402528993 /nfs/dbraw/zinc/52/89/93/402528993.db2.gz APBBGMXEMBJZPA-WMLDXEAASA-N 1 0 314.433 2.159 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000171719151 402614449 /nfs/dbraw/zinc/61/44/49/402614449.db2.gz JHWXSBYUUZSIFX-AWEZNQCLSA-N 1 0 313.401 2.092 10 30 DEEERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC[C@@H]1C ZINC000252039951 402652984 /nfs/dbraw/zinc/65/29/84/402652984.db2.gz ZHXQHWRHHVLJIY-RRFJBIMHSA-N 1 0 307.438 2.074 10 30 DEEERO C[C@H]1CCCN(c2ncc(Br)cc2C#N)[C@H]1C[NH3+] ZINC000261591375 402713801 /nfs/dbraw/zinc/71/38/01/402713801.db2.gz XSHIRYUUZOFAGK-CABZTGNLSA-N 1 0 309.211 2.279 10 30 DEEERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCCC#N)C1 ZINC000173965806 402721892 /nfs/dbraw/zinc/72/18/92/402721892.db2.gz CXQCUOZYAVULGS-GFCCVEGCSA-N 1 0 305.344 2.413 10 30 DEEERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000174499470 402744036 /nfs/dbraw/zinc/74/40/36/402744036.db2.gz BUBOQIJZWNWZEA-CABCVRRESA-N 1 0 315.417 2.126 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000174786773 402757424 /nfs/dbraw/zinc/75/74/24/402757424.db2.gz ADECJVHEKZOISN-KRWDZBQOSA-N 1 0 314.433 2.303 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000184268919 402831499 /nfs/dbraw/zinc/83/14/99/402831499.db2.gz RIAKJANGCYJQEP-JTQLQIEISA-N 1 0 310.760 2.086 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cc(OC)ccc1Br ZINC000184271137 402832027 /nfs/dbraw/zinc/83/20/27/402832027.db2.gz SJEMGPHCVUOOTD-NSHDSACASA-N 1 0 300.196 2.484 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@]12CCCO2 ZINC000329605482 286313676 /nfs/dbraw/zinc/31/36/76/286313676.db2.gz ZITOOSXNSCUZGV-NBFUAULTSA-N 1 0 310.438 2.400 10 30 DEEERO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000282234817 403135112 /nfs/dbraw/zinc/13/51/12/403135112.db2.gz JOVVCDCQOUCBCX-AWEZNQCLSA-N 1 0 312.421 2.134 10 30 DEEERO C=CCOc1cccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1 ZINC000284209196 403254339 /nfs/dbraw/zinc/25/43/39/403254339.db2.gz ZKCGMJSVSAXKFP-RDJZCZTQSA-N 1 0 307.434 2.499 10 30 DEEERO C=CCOCC[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000293658517 403530940 /nfs/dbraw/zinc/53/09/40/403530940.db2.gz TUMKBRMTYTVFNZ-AWEZNQCLSA-N 1 0 314.223 2.449 10 30 DEEERO C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000347295388 403653868 /nfs/dbraw/zinc/65/38/68/403653868.db2.gz XWCSXROQSBOASZ-YSVLISHTSA-N 1 0 300.402 2.337 10 30 DEEERO N#Cc1ccc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000301723508 403669711 /nfs/dbraw/zinc/66/97/11/403669711.db2.gz OGTGWNRUMRUJPR-LSDHHAIUSA-N 1 0 303.381 2.123 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000343869282 403769172 /nfs/dbraw/zinc/76/91/72/403769172.db2.gz TWQQUHYSQBSONA-APWZRJJASA-N 1 0 316.445 2.342 10 30 DEEERO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000305073609 403819309 /nfs/dbraw/zinc/81/93/09/403819309.db2.gz KFCQCOAHOUVEAZ-DOTOQJQBSA-N 1 0 318.417 2.425 10 30 DEEERO C=CCC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2OC)CC1 ZINC000305097204 403830547 /nfs/dbraw/zinc/83/05/47/403830547.db2.gz VDERIGWDWHSZHW-HNNXBMFYSA-N 1 0 308.397 2.283 10 30 DEEERO C=CCOc1ccc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000347953007 403974729 /nfs/dbraw/zinc/97/47/29/403974729.db2.gz RDERSYNPJWWUCK-QGZVFWFLSA-N 1 0 300.402 2.418 10 30 DEEERO C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000290494134 404193701 /nfs/dbraw/zinc/19/37/01/404193701.db2.gz VHHWXRRZXKAQGQ-ZIAGYGMSSA-N 1 0 312.421 2.132 10 30 DEEERO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000329158183 404248998 /nfs/dbraw/zinc/24/89/98/404248998.db2.gz CRUWHVXWQLEXRC-CLCXKQKWSA-N 1 0 324.428 2.466 10 30 DEEERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C3CC3)c(C)cc2=O)C1 ZINC000329233460 404272929 /nfs/dbraw/zinc/27/29/29/404272929.db2.gz GXNYOWUIHPABGQ-CYBMUJFWSA-N 1 0 303.406 2.281 10 30 DEEERO CC1(C)CC(NC(=O)N2CCc3cncnc3C2)CC(C)(C)[NH2+]1 ZINC000329304527 404296573 /nfs/dbraw/zinc/29/65/73/404296573.db2.gz XXLUCZQLHBIJNU-UHFFFAOYSA-N 1 0 317.437 2.058 10 30 DEEERO C[C@H](Cn1cccn1)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000329396289 404324544 /nfs/dbraw/zinc/32/45/44/404324544.db2.gz UKGYFSRQKVCMOS-CVEARBPZSA-N 1 0 319.453 2.136 10 30 DEEERO CC(=O)N[C@H](CC(=O)N1CC[NH+]2CCC1CC2)c1cccs1 ZINC000329528630 404365956 /nfs/dbraw/zinc/36/59/56/404365956.db2.gz UROKYODAKIQEMM-CQSZACIVSA-N 1 0 321.446 2.462 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000342339259 404519677 /nfs/dbraw/zinc/51/96/77/404519677.db2.gz HTNGEVAWXAGDED-INIZCTEOSA-N 1 0 304.438 2.298 10 30 DEEERO C=CCn1c(-c2ccoc2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000350728667 404450786 /nfs/dbraw/zinc/45/07/86/404450786.db2.gz DSEIGXRRMFHYDG-UHFFFAOYSA-N 1 0 301.394 2.256 10 30 DEEERO C#CCOc1ccccc1C[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000366251179 404779874 /nfs/dbraw/zinc/77/98/74/404779874.db2.gz OLVKCBJKJOPBBH-IEBWSBKVSA-N 1 0 315.413 2.469 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1n[nH]c(C)c1C)C(C)C ZINC000360026933 404812521 /nfs/dbraw/zinc/81/25/21/404812521.db2.gz AXFXTBJGZHXZNV-OAHLLOKOSA-N 1 0 304.438 2.455 10 30 DEEERO Cc1nccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000366860002 404860060 /nfs/dbraw/zinc/86/00/60/404860060.db2.gz WYDIJJVUSWCEET-UHFFFAOYSA-N 1 0 321.428 2.365 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000451413282 404986022 /nfs/dbraw/zinc/98/60/22/404986022.db2.gz PTDXGDGEEAGQOQ-INIZCTEOSA-N 1 0 314.433 2.424 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000424297434 405061137 /nfs/dbraw/zinc/06/11/37/405061137.db2.gz QRMLZFIEYQQXNB-ZOBUZTSGSA-N 1 0 323.458 2.338 10 30 DEEERO N#Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000408232451 405148230 /nfs/dbraw/zinc/14/82/30/405148230.db2.gz OGTLWCDNBSHAQC-CQSZACIVSA-N 1 0 323.356 2.299 10 30 DEEERO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(C#N)n1C ZINC000448808403 405450404 /nfs/dbraw/zinc/45/04/04/405450404.db2.gz ANEFMDKFQAGFJY-UHFFFAOYSA-N 1 0 302.422 2.233 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(N3CCC3)nc2)CC1 ZINC000448924622 405464742 /nfs/dbraw/zinc/46/47/42/405464742.db2.gz YWAUCWFXCBRSOL-UHFFFAOYSA-N 1 0 314.433 2.062 10 30 DEEERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000458725168 405560249 /nfs/dbraw/zinc/56/02/49/405560249.db2.gz HBXMVVHZSAFXQB-UYSNPLJNSA-N 1 0 306.454 2.442 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000633207543 405503215 /nfs/dbraw/zinc/50/32/15/405503215.db2.gz FKDBJXVFJCEPBQ-CVEARBPZSA-N 1 0 323.481 2.483 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)cc1 ZINC000449385973 405535759 /nfs/dbraw/zinc/53/57/59/405535759.db2.gz GXVKVSCNLZGRHV-KRWDZBQOSA-N 1 0 304.434 2.188 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000449549204 405608724 /nfs/dbraw/zinc/60/87/24/405608724.db2.gz VRPZNANEJXWFNH-KGLIPLIRSA-N 1 0 305.374 2.290 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](CO)c1sccc1C ZINC000494665843 405741683 /nfs/dbraw/zinc/74/16/83/405741683.db2.gz JXTLPTBOPZFRIE-UONOGXRCSA-N 1 0 308.447 2.269 10 30 DEEERO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(c3ccccc3)C2)C1=O ZINC000639132459 405911241 /nfs/dbraw/zinc/91/12/41/405911241.db2.gz OPTLKJSSISYXPN-SJLPKXTDSA-N 1 0 313.445 2.232 10 30 DEEERO C[NH+]1CCC([C@@H]2CCN(C(=O)Cc3cccc(C#N)c3)C2)CC1 ZINC000534411129 406188099 /nfs/dbraw/zinc/18/80/99/406188099.db2.gz LURSETYEPVAJSS-GOSISDBHSA-N 1 0 311.429 2.291 10 30 DEEERO C=CCCCS(=O)(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632639323 406209371 /nfs/dbraw/zinc/20/93/71/406209371.db2.gz VEUWICSRQUFTSR-UHFFFAOYSA-N 1 0 300.468 2.233 10 30 DEEERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C#N)cc2OC)C1 ZINC000545296151 406312666 /nfs/dbraw/zinc/31/26/66/406312666.db2.gz SKUUGVDZNUOQIS-CYBMUJFWSA-N 1 0 302.378 2.030 10 30 DEEERO C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)C1=O ZINC000570713404 406430999 /nfs/dbraw/zinc/43/09/99/406430999.db2.gz NYMLZKVSOIPHRO-KKUMJFAQSA-N 1 0 322.449 2.073 10 30 DEEERO C=CCOc1ccccc1CNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000637993904 406514036 /nfs/dbraw/zinc/51/40/36/406514036.db2.gz OQLMPTNSXLJNRR-SFHVURJKSA-N 1 0 318.417 2.026 10 30 DEEERO C=CCCCCCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000573338651 406772092 /nfs/dbraw/zinc/77/20/92/406772092.db2.gz UOLTWJRQXSNTDR-UHFFFAOYSA-N 1 0 322.497 2.248 10 30 DEEERO CCN(C[C@H](C)C#N)C(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129083822 196018331 /nfs/dbraw/zinc/01/83/31/196018331.db2.gz OWGCIFHKQLRKDH-GFCCVEGCSA-N 1 0 303.793 2.272 10 30 DEEERO COc1ccc(C#CC[NH3+])cc1CSc1nc(C)ns1 ZINC000130983771 196129956 /nfs/dbraw/zinc/12/99/56/196129956.db2.gz WFDGSOVZNVGCDF-UHFFFAOYSA-N 1 0 305.428 2.458 10 30 DEEERO CC(C)CS(=O)(=O)Nc1cc(Cl)ccc1C#CC[NH3+] ZINC000132029597 196220463 /nfs/dbraw/zinc/22/04/63/196220463.db2.gz PCQOTJLJOFMQAM-UHFFFAOYSA-N 1 0 300.811 2.048 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000132432449 196255092 /nfs/dbraw/zinc/25/50/92/196255092.db2.gz PVJLESORLKTJCK-LDYMZIIASA-N 1 0 308.179 2.387 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000132443862 196256234 /nfs/dbraw/zinc/25/62/34/196256234.db2.gz WHJBUFIAXJBAGW-GFCCVEGCSA-N 1 0 308.179 2.401 10 30 DEEERO CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(Br)cc1C#N ZINC000132465062 196258185 /nfs/dbraw/zinc/25/81/85/196258185.db2.gz WXWNWVNFEGWPAE-NSHDSACASA-N 1 0 310.195 2.490 10 30 DEEERO C[C@@H]1C[NH2+]C[C@@H](COc2cc(Br)ccc2C#N)O1 ZINC000133424992 196330669 /nfs/dbraw/zinc/33/06/69/196330669.db2.gz BLAKFIHQQMCGSU-SKDRFNHKSA-N 1 0 311.179 2.076 10 30 DEEERO Cc1nnc(CNC(N[C@@H](C)C(C)C)=[NH+]C2CCCC2)n1C ZINC000261993054 225261462 /nfs/dbraw/zinc/26/14/62/225261462.db2.gz RUWUFFILYGJSJU-LBPRGKRZSA-N 1 0 306.458 2.146 10 30 DEEERO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000262855859 225287102 /nfs/dbraw/zinc/28/71/02/225287102.db2.gz YBHXABPPTLWSFS-UMVBOHGHSA-N 1 0 317.389 2.142 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000333807144 226110830 /nfs/dbraw/zinc/11/08/30/226110830.db2.gz OZVKFRHUIGISSC-FZKCQIBNSA-N 1 0 304.438 2.100 10 30 DEEERO C[C@H]1C[C@@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC[NH2+]1 ZINC000333811906 226110846 /nfs/dbraw/zinc/11/08/46/226110846.db2.gz JMGCJFTVLHEYAR-ORQFMDKSSA-N 1 0 312.417 2.076 10 30 DEEERO C[C@@H]1CN(c2ncc(Br)cc2C#N)C[C@H]1[NH+](C)C ZINC000297635455 227398684 /nfs/dbraw/zinc/39/86/84/227398684.db2.gz XJVGHAWBCYMORV-BXKDBHETSA-N 1 0 309.211 2.102 10 30 DEEERO CCC(CC)[C@@H](CNc1nc(C)cc(C#N)n1)[NH+]1CCCC1 ZINC000561107388 424890187 /nfs/dbraw/zinc/89/01/87/424890187.db2.gz OSVFJJYIVPKIEP-MRXNPFEDSA-N 1 0 301.438 2.969 10 30 DEEERO C=CCNc1ncc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)s1 ZINC000432928202 425019386 /nfs/dbraw/zinc/01/93/86/425019386.db2.gz QNEROVOYOZDWMA-BETUJISGSA-N 1 0 322.478 2.734 10 30 DEEERO CC1(C)CC[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)O1 ZINC000262430611 273581557 /nfs/dbraw/zinc/58/15/57/273581557.db2.gz JIBUQYGRXVYIIZ-OCCSQVGLSA-N 1 0 303.406 2.372 10 30 DEEERO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc(F)cc3C#N)CC2)CCO1 ZINC000103226843 274344500 /nfs/dbraw/zinc/34/45/00/274344500.db2.gz PLCATIXUQNIFDN-CQSZACIVSA-N 1 0 317.408 2.382 10 30 DEEERO C[NH+]=C(NCc1nccn1C(F)F)N1C[C@@H]2CCCC[C@H]2C1 ZINC000156021305 276844810 /nfs/dbraw/zinc/84/48/10/276844810.db2.gz FSVNGOIZDVKFSL-RYUDHWBXSA-N 1 0 311.380 2.476 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1COCC1(C)C)C(C)C ZINC000455480812 276891167 /nfs/dbraw/zinc/89/11/67/276891167.db2.gz CCDCJDOBKPLCSY-HOTGVXAUSA-N 1 0 323.481 2.409 10 30 DEEERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(F)c2C#N)C1 ZINC000249292178 277155811 /nfs/dbraw/zinc/15/58/11/277155811.db2.gz WLGLRRDHXKJJGL-BLLLJJGKSA-N 1 0 301.365 2.254 10 30 DEEERO C[C@@H]1CCCN(c2ncc(Br)cc2C#N)[C@@H]1C[NH3+] ZINC000261591374 278485999 /nfs/dbraw/zinc/48/59/99/278485999.db2.gz XSHIRYUUZOFAGK-BXKDBHETSA-N 1 0 309.211 2.279 10 30 DEEERO C[C@@H]1CN([C@H](CNC(=[NH2+])NC(C)(C)C)c2cccs2)CCO1 ZINC000262477165 278795627 /nfs/dbraw/zinc/79/56/27/278795627.db2.gz QLEWUUWXXYBCQR-CHWSQXEVSA-N 1 0 324.494 2.213 10 30 DEEERO N#C[C@H]1CC[C@@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000333401100 303167911 /nfs/dbraw/zinc/16/79/11/303167911.db2.gz NXLYKUSVUNWKBX-ARFHVFGLSA-N 1 0 304.438 2.339 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000574911844 332847459 /nfs/dbraw/zinc/84/74/59/332847459.db2.gz GGHZGRCRPQPZDT-ULQDDVLXSA-N 1 0 305.418 2.224 10 30 DEEERO C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC(C)(C)C1 ZINC000174392826 333085695 /nfs/dbraw/zinc/08/56/95/333085695.db2.gz FKEJKGBGQKNNQM-JJLJGCLUSA-N 1 0 305.422 2.317 10 30 DEEERO COC[C@H](C)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000189602265 333155332 /nfs/dbraw/zinc/15/53/32/333155332.db2.gz POQYKZMZUJZBEN-MRXNPFEDSA-N 1 0 301.434 2.348 10 30 DEEERO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@](C)(O)C(=O)OC ZINC000344082299 335216240 /nfs/dbraw/zinc/21/62/40/335216240.db2.gz OYWDHVAKAVTLPY-ZDUSSCGKSA-N 1 0 303.811 2.314 10 30 DEEERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000185352930 337204410 /nfs/dbraw/zinc/20/44/10/337204410.db2.gz AABZLNPCOIBCRV-HNNXBMFYSA-N 1 0 309.454 2.010 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCc2nc3cc(Cl)ccc3s2)CCO1 ZINC000262443776 534271767 /nfs/dbraw/zinc/27/17/67/534271767.db2.gz IGYUMBRXSJMXKB-SECBINFHSA-N 1 0 324.837 2.485 10 30 DEEERO C[NH+]=C(NCc1nccc2ccccc21)N[C@@H]1CCN(C2CC2)C1 ZINC000262736301 526389849 /nfs/dbraw/zinc/38/98/49/526389849.db2.gz CPSHUIDNPAVATA-OAHLLOKOSA-N 1 0 323.444 2.137 10 30 DEEERO C[NH+]=C(NCc1nc(C)cs1)N(C)Cc1csc(C)n1 ZINC000155662686 526390006 /nfs/dbraw/zinc/39/00/06/526390006.db2.gz ZFRJXNSYYGZHPY-UHFFFAOYSA-N 1 0 309.464 2.424 10 30 DEEERO C[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)N(C)CC(=O)NC(C)(C)C ZINC000262365012 526395159 /nfs/dbraw/zinc/39/51/59/526395159.db2.gz HMXQBGCIPGPAEO-LSDHHAIUSA-N 1 0 322.497 2.377 10 30 DEEERO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000262275871 526619106 /nfs/dbraw/zinc/61/91/06/526619106.db2.gz JMPBRLMPZJEAIK-OLZOCXBDSA-N 1 0 316.405 2.450 10 30 DEEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000246400824 526624946 /nfs/dbraw/zinc/62/49/46/526624946.db2.gz JKTZZYDWXUPHJF-ZIAGYGMSSA-N 1 0 318.417 2.184 10 30 DEEERO Cc1oc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C#N)c1C ZINC000246356603 526776073 /nfs/dbraw/zinc/77/60/73/526776073.db2.gz MXVPFTCSCUHYNP-FZMZJTMJSA-N 1 0 318.421 2.121 10 30 DEEERO C=CCOCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000374857454 526777895 /nfs/dbraw/zinc/77/78/95/526777895.db2.gz RULQYXVRFISDLZ-UHFFFAOYSA-N 1 0 317.433 2.153 10 30 DEEERO C=CCOc1ccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000262098697 526840160 /nfs/dbraw/zinc/84/01/60/526840160.db2.gz UXQPIRXIYQWTGF-MRXNPFEDSA-N 1 0 318.417 2.459 10 30 DEEERO C=CCOc1ccc(C[N@@H+](CCC)[C@H]2CC(=O)N(C)C2=O)cc1 ZINC000338960970 526863441 /nfs/dbraw/zinc/86/34/41/526863441.db2.gz CUKXIGZDUNRBGZ-INIZCTEOSA-N 1 0 316.401 2.221 10 30 DEEERO C=CCn1c(CC2CC2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000337901943 527313250 /nfs/dbraw/zinc/31/32/50/527313250.db2.gz JSUCKQVHTPFZLM-OAHLLOKOSA-N 1 0 301.438 2.091 10 30 DEEERO C=CCN(CC(F)(F)F)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339252883 527588579 /nfs/dbraw/zinc/58/85/79/527588579.db2.gz CMHKURXQZIJRLU-UHFFFAOYSA-N 1 0 301.312 2.334 10 30 DEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000262795223 528810002 /nfs/dbraw/zinc/81/00/02/528810002.db2.gz PGYFSHCNTNWBLN-YJNKXOJESA-N 1 0 313.511 2.377 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000176992441 625594300 /nfs/dbraw/zinc/59/43/00/625594300.db2.gz UZZIRWZMOFPUFW-MRXNPFEDSA-N 1 0 315.417 2.074 10 30 DEEERO C#CCOc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000160575070 623962115 /nfs/dbraw/zinc/96/21/15/623962115.db2.gz FQCMGCWLXSCQHE-OAHLLOKOSA-N 1 0 300.402 2.303 10 30 DEEERO C[C@@H]1C[N@H+](Cc2ccccc2)CCC1=NN1CCN(C)CC1 ZINC000734363378 633363972 /nfs/dbraw/zinc/36/39/72/633363972.db2.gz ZGPFPILNZPMVOF-MRXNPFEDSA-N 1 0 300.450 2.132 10 30 DEEERO C#Cc1cccc(NC(=S)NCCCC[NH+]2CCOCC2)c1 ZINC000726464491 636434986 /nfs/dbraw/zinc/43/49/86/636434986.db2.gz LVRHFBBQBWZQCL-UHFFFAOYSA-N 1 0 317.458 2.067 10 30 DEEERO C=C(Cl)CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000743463470 638148980 /nfs/dbraw/zinc/14/89/80/638148980.db2.gz XLVYSIQIWWNBAX-UHFFFAOYSA-N 1 0 307.825 2.311 10 30 DEEERO C#CCNC(=O)CC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000746049844 638305956 /nfs/dbraw/zinc/30/59/56/638305956.db2.gz UXZOQKHTWALKEY-LLVKDONJSA-N 1 0 309.207 2.239 10 30 DEEERO COc1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1C#N ZINC000747443428 638437461 /nfs/dbraw/zinc/43/74/61/638437461.db2.gz HDPLLEWHXAMSTR-STQMWFEESA-N 1 0 301.390 2.056 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000805184873 640103138 /nfs/dbraw/zinc/10/31/38/640103138.db2.gz XJCPFWHSFQRRGX-DOTOQJQBSA-N 1 0 301.434 2.260 10 30 DEEERO C[NH+]=C(NCC(=O)OC(C)(C)C)N[C@@H]1CCOc2ccccc21 ZINC000085305947 641210786 /nfs/dbraw/zinc/21/07/86/641210786.db2.gz LFKXVFWEONALTK-CYBMUJFWSA-N 1 0 319.405 2.017 10 30 DEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCC[C@H](SC)C1 ZINC000086098160 641252683 /nfs/dbraw/zinc/25/26/83/641252683.db2.gz PGYFSHCNTNWBLN-XGUBFFRZSA-N 1 0 313.511 2.377 10 30 DEEERO Cc1ccc(C#N)c(NCc2cc(O[C@@H]3CC[NH2+]C3)ccn2)n1 ZINC000818627181 647492007 /nfs/dbraw/zinc/49/20/07/647492007.db2.gz PNBKQCMPGOLODZ-MRXNPFEDSA-N 1 0 309.373 2.010 10 30 DEEERO CC[NH+]=C(NCCn1cc(C)cn1)N1CCS[C@H](C(C)C)C1 ZINC000153746840 647645475 /nfs/dbraw/zinc/64/54/75/647645475.db2.gz YJVCRQIVSNNCNA-HNNXBMFYSA-N 1 0 323.510 2.230 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc(C(C)C)n(C)n1 ZINC000121396311 649529517 /nfs/dbraw/zinc/52/95/17/649529517.db2.gz QGNLGHJFWOYXCN-CQSZACIVSA-N 1 0 305.422 2.434 10 30 DEEERO C#CCCOc1ccc(C[NH2+]C2CCC(C(N)=O)CC2)cc1 ZINC000733332306 649546872 /nfs/dbraw/zinc/54/68/72/649546872.db2.gz YKDMOQPETPINRX-UHFFFAOYSA-N 1 0 300.402 2.222 10 30 DEEERO C[C@@](O)(CNC(=[NH2+])NCCc1cccs1)c1cccs1 ZINC000304786975 685261920 /nfs/dbraw/zinc/26/19/20/685261920.db2.gz IRYHHELQTFFLGC-CQSZACIVSA-N 1 0 309.460 2.164 10 30 DEEERO C=C(Cl)C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000390656541 685442291 /nfs/dbraw/zinc/44/22/91/685442291.db2.gz QWGKTGIZYFEBGQ-VIFPVBQESA-N 1 0 305.603 2.341 10 30 DEEERO C#CCN(CC#C)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000075392217 683936009 /nfs/dbraw/zinc/93/60/09/683936009.db2.gz BJBAGFSZAWSMLT-KRWDZBQOSA-N 1 0 312.388 2.133 10 30 DEEERO C#CCCOc1ccc(C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)cc1 ZINC000120082237 684092008 /nfs/dbraw/zinc/09/20/08/684092008.db2.gz VLCBHLHHDOKKTN-HOTGVXAUSA-N 1 0 300.402 2.222 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cnn2c1CCCC2 ZINC000125852551 684149091 /nfs/dbraw/zinc/14/90/91/684149091.db2.gz KENHAGLOMXCBAF-AWEZNQCLSA-N 1 0 303.406 2.110 10 30 DEEERO Cc1cccc([C@@H](O)CNC(=[NH2+])NCCc2cccs2)c1 ZINC000128864462 684174084 /nfs/dbraw/zinc/17/40/84/684174084.db2.gz BVXKCKAIYCXKPT-HNNXBMFYSA-N 1 0 303.431 2.237 10 30 DEEERO C#CC[N@@H+](CC(=O)NCCOc1cccc(F)c1)C1CCCC1 ZINC000155772729 684279770 /nfs/dbraw/zinc/27/97/70/684279770.db2.gz SXKKLIOUUJVWTN-UHFFFAOYSA-N 1 0 318.392 2.199 10 30 DEEERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000159634691 684317961 /nfs/dbraw/zinc/31/79/61/684317961.db2.gz CTERKBZMLGSYRO-HOCLYGCPSA-N 1 0 314.433 2.122 10 30 DEEERO Cc1cccc2[nH]cc(CCNC(=[NH2+])NC[C@@H]3CCCO3)c21 ZINC000303987830 685241957 /nfs/dbraw/zinc/24/19/57/685241957.db2.gz VWZXEWMEHSNPPZ-AWEZNQCLSA-N 1 0 300.406 2.102 10 30 DEEERO CCCCCCNC(=[NH2+])NCCCNC(=O)c1ccccc1 ZINC000303989768 685242326 /nfs/dbraw/zinc/24/23/26/685242326.db2.gz XVBANXYAQFHQSS-UHFFFAOYSA-N 1 0 304.438 2.291 10 30 DEEERO C[C@](O)(C[NH2+]CCOC(F)(F)F)C(F)(F)C(F)(F)F ZINC000724060079 777233617 /nfs/dbraw/zinc/23/36/17/777233617.db2.gz SROUYHGIBVQHTN-YFKPBYRVSA-N 1 0 305.165 2.061 10 30 DEEERO C[C@](O)(C[NH2+]CCOCC(F)(F)F)C(F)(F)C(F)(F)F ZINC000724059786 777233597 /nfs/dbraw/zinc/23/35/97/777233597.db2.gz RMFFWDYJPNZPKF-LURJTMIESA-N 1 0 319.192 2.104 10 30 DEEERO C[C@@](O)(C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000123773568 799145679 /nfs/dbraw/zinc/14/56/79/799145679.db2.gz JZSOAKPPGXMGPD-GOSISDBHSA-N 1 0 306.369 2.203 10 30 DEEERO CC#CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000717749425 799430585 /nfs/dbraw/zinc/43/05/85/799430585.db2.gz NIDPVYDKLNWMOA-HRCADAONSA-N 1 0 324.465 2.386 10 30 DEEERO N#Cc1cccc(Oc2nc(NN)[nH+]cc2Br)c1 ZINC000087880810 185234457 /nfs/dbraw/zinc/23/44/57/185234457.db2.gz KGILTTHPUPBNNF-UHFFFAOYSA-N 1 0 306.123 2.189 10 30 DEEERO N#Cc1cccc(Nc2nc(NN)[nH+]cc2Br)c1 ZINC000087896776 185235566 /nfs/dbraw/zinc/23/55/66/185235566.db2.gz NXZNGCOOWJHRRE-UHFFFAOYSA-N 1 0 305.139 2.140 10 30 DEEERO C[N@H+](CCOc1ccc(C#CCO)cc1)CCC(F)(F)F ZINC000088433496 185249717 /nfs/dbraw/zinc/24/97/17/185249717.db2.gz PLUYKHOKHSHIKI-UHFFFAOYSA-N 1 0 301.308 2.293 10 30 DEEERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccc(C#N)cc1 ZINC000090700136 185310680 /nfs/dbraw/zinc/31/06/80/185310680.db2.gz FFXOTNMIKLPBRK-OAHLLOKOSA-N 1 0 303.431 2.068 10 30 DEEERO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000092647796 185331379 /nfs/dbraw/zinc/33/13/79/185331379.db2.gz JHPMITABCPWUQG-CQSZACIVSA-N 1 0 311.389 2.406 10 30 DEEERO N#Cc1ccc2ncc(C[NH+]3CCC(n4ccnc4)CC3)n2c1 ZINC000092648564 185331454 /nfs/dbraw/zinc/33/14/54/185331454.db2.gz BQPHKIRUPXSQAG-UHFFFAOYSA-N 1 0 306.373 2.240 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000625426620 365779059 /nfs/dbraw/zinc/77/90/59/365779059.db2.gz VCSSHPJMWOQEFS-UHFFFAOYSA-N 1 0 323.481 2.038 10 30 DEEERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000286719838 219128609 /nfs/dbraw/zinc/12/86/09/219128609.db2.gz CIEVPZWGENPPCB-TVQRCGJNSA-N 1 0 322.206 2.077 10 30 DEEERO N#Cc1cc(NC(=O)CCOC2CC[NH2+]CC2)ccc1Cl ZINC000111800349 185637980 /nfs/dbraw/zinc/63/79/80/185637980.db2.gz PQUGKRKCJZUYDU-UHFFFAOYSA-N 1 0 307.781 2.309 10 30 DEEERO C=CC[C@H]1CC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000625704627 365876501 /nfs/dbraw/zinc/87/65/01/365876501.db2.gz POZFAHTWYZXLDS-INIZCTEOSA-N 1 0 324.428 2.387 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000625701927 365874815 /nfs/dbraw/zinc/87/48/15/365874815.db2.gz UTWJGRBEDSYRFG-KBPBESRZSA-N 1 0 305.374 2.053 10 30 DEEERO C[C@H]1CN(C(=O)c2cc(C#CC[NH3+])ccc2F)C[C@H](C)S1 ZINC000070388863 190883987 /nfs/dbraw/zinc/88/39/87/190883987.db2.gz MRSBWVLKTRRQIZ-RYUDHWBXSA-N 1 0 306.406 2.102 10 30 DEEERO C[C@@H]1SCCN(C(=O)c2ccc(C#CC[NH3+])cc2F)[C@H]1C ZINC000133661445 186004166 /nfs/dbraw/zinc/00/41/66/186004166.db2.gz NEYLNFXFQIHQDA-RYUDHWBXSA-N 1 0 306.406 2.102 10 30 DEEERO Cc1ccc(C#CC[NH3+])c(C(=O)N2CCS[C@@H](C)[C@@H]2C)c1 ZINC000133664786 186004939 /nfs/dbraw/zinc/00/49/39/186004939.db2.gz JEUGHKIJUGLVEP-KBPBESRZSA-N 1 0 302.443 2.271 10 30 DEEERO Cc1cc(C#CC[NH3+])cc(C(=O)N2CCS[C@H](C)[C@H]2C)c1 ZINC000133678976 186005786 /nfs/dbraw/zinc/00/57/86/186005786.db2.gz FJQZVJBWRTYYGJ-ZIAGYGMSSA-N 1 0 302.443 2.271 10 30 DEEERO Cc1cc(C(=O)NN2[C@@H](C)CCC[C@@H]2C)sc1C#CC[NH3+] ZINC000149882970 186053433 /nfs/dbraw/zinc/05/34/33/186053433.db2.gz ZUWKGMFXCRTZEI-STQMWFEESA-N 1 0 305.447 2.274 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000617044938 363008211 /nfs/dbraw/zinc/00/82/11/363008211.db2.gz VPAGBLWSLSHBKY-CABCVRRESA-N 1 0 304.438 2.309 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000297514585 186709275 /nfs/dbraw/zinc/70/92/75/186709275.db2.gz HCJAORUXWBVCOE-GOSISDBHSA-N 1 0 311.429 2.295 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000595604931 358498849 /nfs/dbraw/zinc/49/88/49/358498849.db2.gz OYRJXPCAKMMISS-ZIAGYGMSSA-N 1 0 307.438 2.479 10 30 DEEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2ccsc2)c1 ZINC000163078153 355971988 /nfs/dbraw/zinc/97/19/88/355971988.db2.gz VCBFVTMXERGXCR-UHFFFAOYSA-N 1 0 320.439 2.226 10 30 DEEERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000180134714 356042792 /nfs/dbraw/zinc/04/27/92/356042792.db2.gz PVPJDIGELMUHHW-WBVHZDCISA-N 1 0 306.369 2.128 10 30 DEEERO CC(C)CS(=O)(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000080193000 192010607 /nfs/dbraw/zinc/01/06/07/192010607.db2.gz JDRQUPKDAQYKAY-UHFFFAOYSA-N 1 0 300.811 2.048 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000320987908 356447912 /nfs/dbraw/zinc/44/79/12/356447912.db2.gz IRJURJVHIIFXMN-NEPJUHHUSA-N 1 0 320.216 2.260 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000626843281 366343675 /nfs/dbraw/zinc/34/36/75/366343675.db2.gz LTUNRQRULXIBRM-LBPRGKRZSA-N 1 0 303.406 2.363 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000580952687 357107387 /nfs/dbraw/zinc/10/73/87/357107387.db2.gz PSVUQEFTZNPYAQ-HZPDHXFCSA-N 1 0 301.386 2.106 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000592183992 357847165 /nfs/dbraw/zinc/84/71/65/357847165.db2.gz NGHVJQXVTCESOH-UHFFFAOYSA-N 1 0 321.808 2.321 10 30 DEEERO CC(=O)N(C)c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594428097 358267262 /nfs/dbraw/zinc/26/72/62/358267262.db2.gz ZGFOMQZHVSVXBI-HNNXBMFYSA-N 1 0 302.378 2.019 10 30 DEEERO N#CCCCC[C@H]([NH3+])C(=O)NCc1ccccc1Br ZINC000594429921 358267759 /nfs/dbraw/zinc/26/77/59/358267759.db2.gz TUEITIXNQKRGDJ-ZDUSSCGKSA-N 1 0 324.222 2.477 10 30 DEEERO CN(CCOCc1ccccc1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594446523 358273934 /nfs/dbraw/zinc/27/39/34/358273934.db2.gz UVFMUCCIFBRKNS-MRXNPFEDSA-N 1 0 303.406 2.073 10 30 DEEERO C=CC[C@@]1(C(=O)N2CC[C@@](C(=O)OCC)(C(C)C)C2)CCC[NH2+]1 ZINC000595961269 358586466 /nfs/dbraw/zinc/58/64/66/358586466.db2.gz GMDPMAGSJRLNRE-ROUUACIJSA-N 1 0 322.449 2.123 10 30 DEEERO CC(=O)N1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)c2ccccc21 ZINC000600733500 359814412 /nfs/dbraw/zinc/81/44/12/359814412.db2.gz ZNLCVFXQENJBIR-ZBFHGGJFSA-N 1 0 313.401 2.129 10 30 DEEERO N#Cc1cc(Br)cnc1N1CCCCC[C@@H]([NH3+])C1 ZINC000600958947 359871635 /nfs/dbraw/zinc/87/16/35/359871635.db2.gz NGKDDBXQFAPHBL-GFCCVEGCSA-N 1 0 309.211 2.423 10 30 DEEERO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000611982839 361718981 /nfs/dbraw/zinc/71/89/81/361718981.db2.gz XGYSFRSZPXQXEW-QGZVFWFLSA-N 1 0 317.433 2.466 10 30 DEEERO Cc1[nH+]c2c(n1[C@@H]1CCN(c3cnc(C#N)cn3)C1)CCCC2 ZINC000275507424 212381533 /nfs/dbraw/zinc/38/15/33/212381533.db2.gz XASIEDVEZOSQFK-CQSZACIVSA-N 1 0 308.389 2.183 10 30 DEEERO C[N@H+](Cc1ccccn1)[C@H]1CCCN(c2cnc(C#N)cn2)CC1 ZINC000275469309 212353179 /nfs/dbraw/zinc/35/31/79/212353179.db2.gz AKOXDYODBNMEGP-KRWDZBQOSA-N 1 0 322.416 2.234 10 30 DEEERO C=C(C)COCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623768814 365167921 /nfs/dbraw/zinc/16/79/21/365167921.db2.gz AARXRYULRWFLIS-INIZCTEOSA-N 1 0 309.454 2.285 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000623714214 365143187 /nfs/dbraw/zinc/14/31/87/365143187.db2.gz VCGGWQLZQCXROO-MRXNPFEDSA-N 1 0 324.513 2.162 10 30 DEEERO C=CCCCC[C@@H](C)[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000624082151 365279835 /nfs/dbraw/zinc/27/98/35/365279835.db2.gz NSMLZZBYUNNOJF-SJLPKXTDSA-N 1 0 310.482 2.327 10 30 DEEERO C=CCOCCCC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000629418663 367193915 /nfs/dbraw/zinc/19/39/15/367193915.db2.gz SGXLAADNNKWAOO-UHFFFAOYSA-N 1 0 324.465 2.073 10 30 DEEERO N#Cc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c(Br)c1 ZINC000092203381 193172989 /nfs/dbraw/zinc/17/29/89/193172989.db2.gz FSENQCAVARVWLK-UWVGGRQHSA-N 1 0 306.163 2.163 10 30 DEEERO CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc(C)c(C#CC[NH3+])s1 ZINC000094536388 193378203 /nfs/dbraw/zinc/37/82/03/193378203.db2.gz RIUTVNFPWGOTEE-CHWSQXEVSA-N 1 0 306.431 2.006 10 30 DEEERO CCOC1CCN(C(=O)c2cc(C)c(C#CC[NH3+])s2)CC1 ZINC000094536370 193378361 /nfs/dbraw/zinc/37/83/61/193378361.db2.gz CUPURTPQALKDMF-UHFFFAOYSA-N 1 0 306.431 2.008 10 30 DEEERO C=CC[C@@H]([NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000160070394 197383440 /nfs/dbraw/zinc/38/34/40/197383440.db2.gz KAZJBRBGWJQERD-MRVPVSSYSA-N 1 0 303.240 2.456 10 30 DEEERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N(CC)CCC#N)c1 ZINC000042451318 183271788 /nfs/dbraw/zinc/27/17/88/183271788.db2.gz KFTLDIPFFNVGAV-OAHLLOKOSA-N 1 0 309.435 2.281 10 30 DEEERO Cn1nccc1[C@H]1[C@H](CNc2ncccc2C#N)CCC[N@@H+]1C ZINC000284536133 218068769 /nfs/dbraw/zinc/06/87/69/218068769.db2.gz DRLSCMGTHYWQMO-GOEBONIOSA-N 1 0 310.405 2.182 10 30 DEEERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(C#N)cc1F ZINC000105721189 194121837 /nfs/dbraw/zinc/12/18/37/194121837.db2.gz PQVKFNYPHKTIJU-GFCCVEGCSA-N 1 0 306.385 2.227 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(OC)c2O)CC1 ZINC000106291234 194193996 /nfs/dbraw/zinc/19/39/96/194193996.db2.gz DUMWDAJMANZEEH-UHFFFAOYSA-N 1 0 304.390 2.171 10 30 DEEERO C[C@H](NS(=O)(=O)c1ccc(C#CC[NH3+])cc1)c1ccsc1 ZINC000061372080 184169685 /nfs/dbraw/zinc/16/96/85/184169685.db2.gz PZLKMNHVMIKGBI-LBPRGKRZSA-N 1 0 320.439 2.098 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)Nc2cccc(Cl)c2F)nc1 ZINC000061872151 184190694 /nfs/dbraw/zinc/19/06/94/184190694.db2.gz OXGVPVHIYYHUIV-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO C[C@]1(C(=O)Nc2ccc(C#N)cc2Br)CC[NH2+]C1 ZINC000062893049 184258584 /nfs/dbraw/zinc/25/85/84/184258584.db2.gz ZMJIPWFJDGYWAG-ZDUSSCGKSA-N 1 0 308.179 2.259 10 30 DEEERO OCCC#Cc1ccsc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062967953 184263752 /nfs/dbraw/zinc/26/37/52/184263752.db2.gz YXAIJSDCUORNNR-MRXNPFEDSA-N 1 0 304.459 2.152 10 30 DEEERO CN1CCN([C@H]2CCCC[N@H+](CCCC(C)(C)C#N)C2)CC1 ZINC000158987863 197317035 /nfs/dbraw/zinc/31/70/35/197317035.db2.gz AAQBLOPMNBSAHE-KRWDZBQOSA-N 1 0 306.498 2.418 10 30 DEEERO N#Cc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCCS2)c1 ZINC000156446052 197114489 /nfs/dbraw/zinc/11/44/89/197114489.db2.gz YKPWQUWJTSACAT-GDBMZVCRSA-N 1 0 306.431 2.173 10 30 DEEERO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC1(CO)CC1 ZINC000190015173 533185195 /nfs/dbraw/zinc/18/51/95/533185195.db2.gz QSFQBDODNKYIGD-HNNXBMFYSA-N 1 0 315.417 2.026 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000122032081 195391734 /nfs/dbraw/zinc/39/17/34/195391734.db2.gz FWVSWWQJMVOUPX-WBMJQRKESA-N 1 0 318.396 2.225 10 30 DEEERO CC1=CC[N@H+](CCNC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000358163138 133125837 /nfs/dbraw/zinc/12/58/37/133125837.db2.gz IFRXJUHPVWRPBR-UHFFFAOYSA-N 1 0 316.380 2.149 10 30 DEEERO N#Cc1c(F)cccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000189057751 145021596 /nfs/dbraw/zinc/02/15/96/145021596.db2.gz OFGDDCVNDHZWGP-UHFFFAOYSA-N 1 0 301.365 2.398 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247382729 145135046 /nfs/dbraw/zinc/13/50/46/145135046.db2.gz LOXNJVLDYRRDOR-DZKIICNBSA-N 1 0 315.417 2.267 10 30 DEEERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)cn1C ZINC000248394100 145152441 /nfs/dbraw/zinc/15/24/41/145152441.db2.gz MUGNOBVPZAQQNO-RHSMWYFYSA-N 1 0 322.412 2.147 10 30 DEEERO N#Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000374724204 148283030 /nfs/dbraw/zinc/28/30/30/148283030.db2.gz VBLIKGHQTFGZJD-DLBZAZTESA-N 1 0 300.402 2.216 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1(C)COC1)C(C)C ZINC000112743737 401757517 /nfs/dbraw/zinc/75/75/17/401757517.db2.gz FPXOIZCGJINXBM-OAHLLOKOSA-N 1 0 309.454 2.021 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC000089102105 401935627 /nfs/dbraw/zinc/93/56/27/401935627.db2.gz QIKFYCPZKJEMQB-DLBZAZTESA-N 1 0 307.482 2.123 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCCc2cc(F)ccc2F)CC1 ZINC000083231840 401900430 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C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C2(C#N)CCCCC2)CC1 ZINC000176877588 402345108 /nfs/dbraw/zinc/34/51/08/402345108.db2.gz MMGZBQXTMWMDIA-HNNXBMFYSA-N 1 0 321.465 2.012 10 30 DEEERO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159735526 402329595 /nfs/dbraw/zinc/32/95/95/402329595.db2.gz PUTVIRFTVRRCPW-AWEZNQCLSA-N 1 0 322.478 2.404 10 30 DEEERO CC[C@H]1CN(CC#Cc2cccc(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000159916398 402333804 /nfs/dbraw/zinc/33/38/04/402333804.db2.gz IKQYGYWOTUZNQE-QAPCUYQASA-N 1 0 320.864 2.469 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000246107871 402510693 /nfs/dbraw/zinc/51/06/93/402510693.db2.gz PIYTYVPLEJPKEW-IRXDYDNUSA-N 1 0 312.417 2.055 10 30 DEEERO C[C@@H](C#N)CNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000187791303 402511286 /nfs/dbraw/zinc/51/12/86/402511286.db2.gz SFSIIPJQUYSZSU-YJBOKZPZSA-N 1 0 314.433 2.500 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246880981 402548358 /nfs/dbraw/zinc/54/83/58/402548358.db2.gz DORPNGWEIAOEQJ-HUUCEWRRSA-N 1 0 322.449 2.239 10 30 DEEERO Cc1cc(C)c2ncc(C#N)c(N3CC[N@H+](CCO)[C@@H](C)C3)c2c1 ZINC000249286265 402624968 /nfs/dbraw/zinc/62/49/68/402624968.db2.gz SOPPIKNREUKBTK-HNNXBMFYSA-N 1 0 324.428 2.226 10 30 DEEERO COCc1ccsc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000180984553 402631608 /nfs/dbraw/zinc/63/16/08/402631608.db2.gz UNIJJEVXQRSBQO-UHFFFAOYSA-N 1 0 309.435 2.202 10 30 DEEERO CN1CC[NH+]([C@@H]2CCCCN(CC#Cc3ccccc3)C2)CC1 ZINC000192118890 402712610 /nfs/dbraw/zinc/71/26/10/402712610.db2.gz ACQOEQYOPFWFPX-HXUWFJFHSA-N 1 0 311.473 2.140 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccccc1C#N ZINC000175035243 402772976 /nfs/dbraw/zinc/77/29/76/402772976.db2.gz YVBWMOMFSDOANI-HZPDHXFCSA-N 1 0 313.401 2.022 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000184278963 402832779 /nfs/dbraw/zinc/83/27/79/402832779.db2.gz KQIWGVXKIZQNKH-AWEZNQCLSA-N 1 0 305.374 2.037 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000277366149 403209956 /nfs/dbraw/zinc/20/99/56/403209956.db2.gz ISCMARATYQSMLB-GOSISDBHSA-N 1 0 312.413 2.077 10 30 DEEERO C=CC[NH+]1CCC(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000302119568 403708134 /nfs/dbraw/zinc/70/81/34/403708134.db2.gz XJILABLVBCGABQ-UHFFFAOYSA-N 1 0 319.361 2.444 10 30 DEEERO C=CCN1CC[C@H](N(CC[NH+]2CCCCCC2)C(C)C)C1=O ZINC000347336053 403669195 /nfs/dbraw/zinc/66/91/95/403669195.db2.gz KGLFNEDPOKASCL-KRWDZBQOSA-N 1 0 307.482 2.360 10 30 DEEERO Cc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)c(C#N)c(C)n1 ZINC000301797819 403680619 /nfs/dbraw/zinc/68/06/19/403680619.db2.gz UKHCCTQLTIHANC-HNNXBMFYSA-N 1 0 302.422 2.339 10 30 DEEERO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1ccccc1OC ZINC000296145002 404115692 /nfs/dbraw/zinc/11/56/92/404115692.db2.gz JGNXKQYSFSJKKG-AWEZNQCLSA-N 1 0 303.406 2.011 10 30 DEEERO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC[N@@H+]1C ZINC000328725342 404138014 /nfs/dbraw/zinc/13/80/14/404138014.db2.gz ZBCNEZZINSZWDF-MCIONIFRSA-N 1 0 322.453 2.357 10 30 DEEERO C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000328945403 404179221 /nfs/dbraw/zinc/17/92/21/404179221.db2.gz AXMUOJUUSXBFCV-KBUPBQIOSA-N 1 0 303.406 2.271 10 30 DEEERO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCCOC1 ZINC000329406637 404327502 /nfs/dbraw/zinc/32/75/02/404327502.db2.gz ZLWJKYORKVDFSG-MGLUKCQKSA-N 1 0 309.454 2.320 10 30 DEEERO C[C@H](NC(=O)C1(C(=O)N(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329397911 404324321 /nfs/dbraw/zinc/32/43/21/404324321.db2.gz WTCRLTGKBCDLKH-UONOGXRCSA-N 1 0 321.465 2.464 10 30 DEEERO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000330203485 404583978 /nfs/dbraw/zinc/58/39/78/404583978.db2.gz BZVCONYCMMVSFP-GDBMZVCRSA-N 1 0 320.437 2.329 10 30 DEEERO C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000330228409 404592887 /nfs/dbraw/zinc/59/28/87/404592887.db2.gz VHVNHFNWRSNZOQ-SQWLQELKSA-N 1 0 320.437 2.186 10 30 DEEERO CC[C@H](CO)[NH+]1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000291813202 404534378 /nfs/dbraw/zinc/53/43/78/404534378.db2.gz FMONUSPRJFFRQJ-MRXNPFEDSA-N 1 0 324.428 2.308 10 30 DEEERO C=C(C)Cn1c(COCC)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000359220390 404787189 /nfs/dbraw/zinc/78/71/89/404787189.db2.gz GJPNSBRGMABYRS-LSDHHAIUSA-N 1 0 319.453 2.064 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[N@@H+](C)CCC ZINC000359273642 404789257 /nfs/dbraw/zinc/78/92/57/404789257.db2.gz CGRIFDIXSKFFJT-UHFFFAOYSA-N 1 0 305.378 2.451 10 30 DEEERO C=CCC(CC=C)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423949460 404943013 /nfs/dbraw/zinc/94/30/13/404943013.db2.gz MHPFNEYEXOXFAJ-UHFFFAOYSA-N 1 0 305.466 2.087 10 30 DEEERO C=CCCS(=O)(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000361269489 405001176 /nfs/dbraw/zinc/00/11/76/405001176.db2.gz VHQXBBZVKWENTO-MRXNPFEDSA-N 1 0 322.474 2.489 10 30 DEEERO N#Cc1ccc(NC[C@@H]2C[NH2+]CCCO2)c(Br)c1 ZINC000390044210 405043180 /nfs/dbraw/zinc/04/31/80/405043180.db2.gz DGIQHEUILFBTGK-NSHDSACASA-N 1 0 310.195 2.111 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000424297311 405060636 /nfs/dbraw/zinc/06/06/36/405060636.db2.gz QESFHQRJYUONIF-YJNKXOJESA-N 1 0 320.393 2.456 10 30 DEEERO C#CCOc1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1 ZINC000361428249 405071547 /nfs/dbraw/zinc/07/15/47/405071547.db2.gz HEOWPNRJUGUSAM-UHFFFAOYSA-N 1 0 307.393 2.318 10 30 DEEERO C=CCC1(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CCOCC1 ZINC000424839324 405193699 /nfs/dbraw/zinc/19/36/99/405193699.db2.gz PEBNHLGCMWPSPG-JKSUJKDBSA-N 1 0 306.450 2.445 10 30 DEEERO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000437539556 405205367 /nfs/dbraw/zinc/20/53/67/405205367.db2.gz UIEDHOOAOPASIZ-MNAZLIDISA-N 1 0 323.481 2.387 10 30 DEEERO C=C(CC)CNC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000454218333 405311760 /nfs/dbraw/zinc/31/17/60/405311760.db2.gz QCJILMLPCMJQIP-UHFFFAOYSA-N 1 0 317.433 2.284 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000454454181 405347501 /nfs/dbraw/zinc/34/75/01/405347501.db2.gz AKLAGIOAQJEVIT-HOCLYGCPSA-N 1 0 304.438 2.408 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCc2cnc(CCC)o2)CC1 ZINC000454554216 405362888 /nfs/dbraw/zinc/36/28/88/405362888.db2.gz WEOFCNIZCJTFHY-UHFFFAOYSA-N 1 0 306.410 2.077 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000448674991 405434508 /nfs/dbraw/zinc/43/45/08/405434508.db2.gz KJOOVUCFJIEGKA-UHFFFAOYSA-N 1 0 322.412 2.075 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000580183193 405600389 /nfs/dbraw/zinc/60/03/89/405600389.db2.gz XHKFUOCPSMDFMC-NHYWBVRUSA-N 1 0 310.344 2.474 10 30 DEEERO C=CCc1cc(CN2CC[NH2+]C[C@@H]2C(F)F)cc(OC)c1O ZINC000580563840 405645475 /nfs/dbraw/zinc/64/54/75/405645475.db2.gz DYBYELJLHPJSCK-CYBMUJFWSA-N 1 0 312.360 2.168 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCCC[C@H]2CCCC[C@H]2O)CC1 ZINC000432394351 405759081 /nfs/dbraw/zinc/75/90/81/405759081.db2.gz IZALZFHYQFPFQJ-NVXWUHKLSA-N 1 0 323.481 2.267 10 30 DEEERO CN1C(=O)C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1c1cccnc1 ZINC000583616572 405774917 /nfs/dbraw/zinc/77/49/17/405774917.db2.gz NREUIUXPZCRTQX-AEFFLSMTSA-N 1 0 306.369 2.015 10 30 DEEERO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC(C)(C)N1CCOCC1 ZINC000639163823 405938539 /nfs/dbraw/zinc/93/85/39/405938539.db2.gz ZQPSQWIIFADXAY-UHFFFAOYSA-N 1 0 322.449 2.261 10 30 DEEERO C=C[C@](C)(CCOC)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634095311 406001741 /nfs/dbraw/zinc/00/17/41/406001741.db2.gz LTCTUSPJZXSNAK-QGZVFWFLSA-N 1 0 320.437 2.317 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000567353062 406095946 /nfs/dbraw/zinc/09/59/46/406095946.db2.gz YRRJUMBLDLAFDX-APHBMKBZSA-N 1 0 313.825 2.305 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccns2)CC1 ZINC000636742457 406070112 /nfs/dbraw/zinc/07/01/12/406070112.db2.gz MFWFDLKUZNVKOX-UHFFFAOYSA-N 1 0 308.451 2.325 10 30 DEEERO C=CCCCCCNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000568245199 406217248 /nfs/dbraw/zinc/21/72/48/406217248.db2.gz FLVGTUHSVPTJJI-CQSZACIVSA-N 1 0 317.433 2.185 10 30 DEEERO C=CCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000489545260 406416271 /nfs/dbraw/zinc/41/62/71/406416271.db2.gz JOUTYZLEBJLPPG-CABCVRRESA-N 1 0 300.468 2.230 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000637620574 406368705 /nfs/dbraw/zinc/36/87/05/406368705.db2.gz FEWZRMJWIUOMPH-OAHLLOKOSA-N 1 0 311.470 2.125 10 30 DEEERO C=CCCC[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000638097135 406567750 /nfs/dbraw/zinc/56/77/50/406567750.db2.gz AROOFRQHJJCGEZ-UHFFFAOYSA-N 1 0 302.827 2.385 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000527730920 406732986 /nfs/dbraw/zinc/73/29/86/406732986.db2.gz RZWSCGIZKSFGRK-HOSILWTGSA-N 1 0 309.454 2.138 10 30 DEEERO Cc1cc(C#CC[NH3+])cc(C(=O)N2C[C@H](C)S[C@@H](C)C2)c1 ZINC000131809172 196201337 /nfs/dbraw/zinc/20/13/37/196201337.db2.gz LKPIGACLXGPRHB-KBPBESRZSA-N 1 0 302.443 2.271 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000132432042 196254944 /nfs/dbraw/zinc/25/49/44/196254944.db2.gz PVJLESORLKTJCK-KCJUWKMLSA-N 1 0 308.179 2.387 10 30 DEEERO COc1ccc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1OC ZINC000180887923 224898657 /nfs/dbraw/zinc/89/86/57/224898657.db2.gz OSKVZNDUEAMQKT-ZDUSSCGKSA-N 1 0 319.405 2.117 10 30 DEEERO CN(C(=[NH2+])NCc1cn2cc(Br)ccc2n1)C1CC1 ZINC000262274701 225267785 /nfs/dbraw/zinc/26/77/85/225267785.db2.gz UNXBWKSIBAHJAW-UHFFFAOYSA-N 1 0 322.210 2.006 10 30 DEEERO [NH2+]=C(NCCN1CCc2c(Cl)cccc2C1)NC1CCC1 ZINC000263060350 225290524 /nfs/dbraw/zinc/29/05/24/225290524.db2.gz FMMKWBMCAQNAHH-UHFFFAOYSA-N 1 0 306.841 2.155 10 30 DEEERO C=CCn1c(CC)nnc1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634341552 422398633 /nfs/dbraw/zinc/39/86/33/422398633.db2.gz CJCUMXVGPSMWOO-UHFFFAOYSA-N 1 0 315.425 2.233 10 30 DEEERO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000153159052 264005322 /nfs/dbraw/zinc/00/53/22/264005322.db2.gz VNQRTSQOCBADSN-FRFSOERESA-N 1 0 313.401 2.386 10 30 DEEERO Cc1cc(C#N)nc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000368550934 424873651 /nfs/dbraw/zinc/87/36/51/424873651.db2.gz LHMNUSIPNRTFHM-INIZCTEOSA-N 1 0 307.401 2.591 10 30 DEEERO CCC(CC)[C@H](CNc1nc(C)cc(C#N)n1)[NH+]1CCCC1 ZINC000561107387 424889846 /nfs/dbraw/zinc/88/98/46/424889846.db2.gz OSVFJJYIVPKIEP-INIZCTEOSA-N 1 0 301.438 2.969 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187994098 267201800 /nfs/dbraw/zinc/20/18/00/267201800.db2.gz GSAYOWNMZPXAJS-AWEZNQCLSA-N 1 0 315.417 2.268 10 30 DEEERO C[C@@H]1C[N@@H+](C2CCN(Cc3cc(F)ccc3C#N)CC2)CCO1 ZINC000177318889 274344350 /nfs/dbraw/zinc/34/43/50/274344350.db2.gz WHWJFMRQUNFIBJ-CQSZACIVSA-N 1 0 317.408 2.382 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CCCCC[C@H]1C(=O)OC ZINC000295465769 275744110 /nfs/dbraw/zinc/74/41/10/275744110.db2.gz FTNYVNHATDYOBR-XHSDSOJGSA-N 1 0 322.449 2.287 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=[NH2+])N2CCCCCC2)C12CCOCC2 ZINC000184644845 276349473 /nfs/dbraw/zinc/34/94/73/276349473.db2.gz CFRPBXANPMTZFM-LSDHHAIUSA-N 1 0 309.454 2.151 10 30 DEEERO C[NH+]=C(NCc1ncccc1C)N1CCC[C@@]2(CCCOC2)C1 ZINC000262803193 276844883 /nfs/dbraw/zinc/84/48/83/276844883.db2.gz RPPGHMAQJXABIN-GOSISDBHSA-N 1 0 316.449 2.358 10 30 DEEERO COc1ccccc1[C@@]1(C)C[C@@H]1NC(=[NH2+])N1CCSCC1 ZINC000262524924 278061145 /nfs/dbraw/zinc/06/11/45/278061145.db2.gz KKPHZEQXWISOSH-GOEBONIOSA-N 1 0 305.447 2.089 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000246812107 288313802 /nfs/dbraw/zinc/31/38/02/288313802.db2.gz BUXCLJAADFBLNG-CJNGLKHVSA-N 1 0 323.400 2.277 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000584109586 331766684 /nfs/dbraw/zinc/76/66/84/331766684.db2.gz RAPCRCIKXAMTRK-MUQADHOPSA-N 1 0 323.481 2.387 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000584109585 331766695 /nfs/dbraw/zinc/76/66/95/331766695.db2.gz RAPCRCIKXAMTRK-CVYDXHPNSA-N 1 0 323.481 2.387 10 30 DEEERO Cc1ccc([C@@H](OS(=O)(=O)CCC[NH3+])C(F)(F)F)cc1 ZINC000584621242 337374875 /nfs/dbraw/zinc/37/48/75/337374875.db2.gz XQIPXXIZILRFHN-LLVKDONJSA-N 1 0 311.325 2.294 10 30 DEEERO C=CC[C@]1(C(=O)N2CCc3nc(C(C)C)ncc3C2)CCC[NH2+]1 ZINC000527616577 337752176 /nfs/dbraw/zinc/75/21/76/337752176.db2.gz GVJOPJTYHCVECC-GOSISDBHSA-N 1 0 314.433 2.183 10 30 DEEERO CC#CC[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528715130 340730339 /nfs/dbraw/zinc/73/03/39/340730339.db2.gz KEKNPEDCHOSPIX-UHFFFAOYSA-N 1 0 303.406 2.241 10 30 DEEERO C=CCCCCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000568193609 341657894 /nfs/dbraw/zinc/65/78/94/341657894.db2.gz OEUPEWSFORNQCV-IRXDYDNUSA-N 1 0 323.481 2.410 10 30 DEEERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(C#N)n(C)c3)C2)nc(C)n1 ZINC000365163792 525071490 /nfs/dbraw/zinc/07/14/90/525071490.db2.gz QAGCHYZFXPYRAI-INIZCTEOSA-N 1 0 324.432 2.062 10 30 DEEERO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418581806 526337541 /nfs/dbraw/zinc/33/75/41/526337541.db2.gz VAUJJHZQIUIEIX-PBHICJAKSA-N 1 0 317.433 2.391 10 30 DEEERO C[NH+]=C(NC1CCC1)NC1CCN(c2cccc(C)n2)CC1 ZINC000262784676 526343745 /nfs/dbraw/zinc/34/37/45/526343745.db2.gz LYEQTTDINGYFMH-UHFFFAOYSA-N 1 0 301.438 2.076 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418584930 526344283 /nfs/dbraw/zinc/34/42/83/526344283.db2.gz CUFBRLPVBYGYKR-RHSMWYFYSA-N 1 0 312.417 2.254 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[NH2+]CCC ZINC000418471973 526348489 /nfs/dbraw/zinc/34/84/89/526348489.db2.gz LFYPJQBXBMKWPS-UHFFFAOYSA-N 1 0 320.393 2.292 10 30 DEEERO C[NH+]=C(NCCc1c[nH]c2ncccc12)N(C)Cc1cccn1C ZINC000261999658 526365428 /nfs/dbraw/zinc/36/54/28/526365428.db2.gz UAQXXBJYZNXSNU-UHFFFAOYSA-N 1 0 324.432 2.151 10 30 DEEERO C[NH+]=C(NCc1cccc(OC)n1)N[C@@H]1CCc2ccccc2C1 ZINC000262293959 526384008 /nfs/dbraw/zinc/38/40/08/526384008.db2.gz ZEMGZRRATNQRFO-MRXNPFEDSA-N 1 0 324.428 2.313 10 30 DEEERO C[NH+]=C(NCc1noc(C)n1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000261766015 526393160 /nfs/dbraw/zinc/39/31/60/526393160.db2.gz NLDQTSMVZHYNRD-QGZVFWFLSA-N 1 0 313.405 2.117 10 30 DEEERO C[NH+]=C(NC[C@H](C)SC)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261937913 526414294 /nfs/dbraw/zinc/41/42/94/526414294.db2.gz CYASXYHPPPUVES-GXTWGEPZSA-N 1 0 323.510 2.238 10 30 DEEERO CC(=O)N1CCC[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329644838 526579555 /nfs/dbraw/zinc/57/95/55/526579555.db2.gz ZHGYGZNFPWXLKH-HNSVSWJLSA-N 1 0 307.438 2.217 10 30 DEEERO C#CCCCC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000192025167 526677508 /nfs/dbraw/zinc/67/75/08/526677508.db2.gz CMKZDYDDLBUFHN-HZPDHXFCSA-N 1 0 306.450 2.138 10 30 DEEERO C=CCNc1ncc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)s1 ZINC000245908831 526680478 /nfs/dbraw/zinc/68/04/78/526680478.db2.gz BXGCWXKEPFPHOU-RYUDHWBXSA-N 1 0 306.435 2.050 10 30 DEEERO C=CCOCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000370359052 526780540 /nfs/dbraw/zinc/78/05/40/526780540.db2.gz LIPCHHXVLXBVMO-KRWDZBQOSA-N 1 0 302.418 2.360 10 30 DEEERO C=CCOc1cccnc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000341520526 526960294 /nfs/dbraw/zinc/96/02/94/526960294.db2.gz CXLRFRKAALRJTL-UHFFFAOYSA-N 1 0 317.433 2.497 10 30 DEEERO C=CCSCCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000299336937 527002037 /nfs/dbraw/zinc/00/20/37/527002037.db2.gz KLYSSXMAKWVQKF-UHFFFAOYSA-N 1 0 308.447 2.276 10 30 DEEERO C=CCC(C)(C)CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418222618 527007693 /nfs/dbraw/zinc/00/76/93/527007693.db2.gz XMAZXOYQCIOQKV-UHFFFAOYSA-N 1 0 304.438 2.463 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418363065 527089989 /nfs/dbraw/zinc/08/99/89/527089989.db2.gz VQCLLIRLBIPVSP-JKSUJKDBSA-N 1 0 305.422 2.046 10 30 DEEERO C=CCCCCNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000370375411 527151965 /nfs/dbraw/zinc/15/19/65/527151965.db2.gz UQMHHFQWBFFLGT-QGZVFWFLSA-N 1 0 322.497 2.154 10 30 DEEERO CC(=O)[C@](C)(O)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000331294810 527152963 /nfs/dbraw/zinc/15/29/63/527152963.db2.gz CHLFAYITHBUSTD-QGZVFWFLSA-N 1 0 322.405 2.005 10 30 DEEERO C=CCn1c(N2CC[N@@H+]3CCCC[C@@H]3C2)nnc1C(C)(C)C ZINC000337767529 527330033 /nfs/dbraw/zinc/33/00/33/527330033.db2.gz CFXBDKSAFKMQHG-CQSZACIVSA-N 1 0 303.454 2.436 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515662 527612082 /nfs/dbraw/zinc/61/20/82/527612082.db2.gz FGQPFLVMGYZLCB-MRXNPFEDSA-N 1 0 314.433 2.016 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@@H]2CCCO2)C12CCCCC2 ZINC000262415202 527790706 /nfs/dbraw/zinc/79/07/06/527790706.db2.gz MAUDZKFFRKVCSF-RRFJBIMHSA-N 1 0 309.454 2.198 10 30 DEEERO CC[NH+]=C(NCC1(C)CC1)N1CC[C@H](Oc2ccccn2)C1 ZINC000262005220 528802737 /nfs/dbraw/zinc/80/27/37/528802737.db2.gz VLHLEAQWZMXBAW-AWEZNQCLSA-N 1 0 302.422 2.300 10 30 DEEERO CC[NH+]=C(NCC1CC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261665709 528803785 /nfs/dbraw/zinc/80/37/85/528803785.db2.gz BKKRIGDUAIHPSU-CYBMUJFWSA-N 1 0 321.856 2.279 10 30 DEEERO C#CCSCCNC(N[C@@H]1CCOc2ccccc21)=[NH+]C ZINC000176864525 625405726 /nfs/dbraw/zinc/40/57/26/625405726.db2.gz QXBLMSLTGDCXEC-CQSZACIVSA-N 1 0 303.431 2.042 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000804807869 623250772 /nfs/dbraw/zinc/25/07/72/623250772.db2.gz MVLDEJQVBCSORU-HNNXBMFYSA-N 1 0 318.384 2.291 10 30 DEEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N(C)Cc1ccc[nH]1 ZINC000261600338 635919391 /nfs/dbraw/zinc/91/93/91/635919391.db2.gz BKVALFZHZCWEGJ-XHSDSOJGSA-N 1 0 316.449 2.370 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc([S@@](C)=O)cc1 ZINC000121463849 650125593 /nfs/dbraw/zinc/12/55/93/650125593.db2.gz WGCXHJPMPFQTIA-FPTDNZKUSA-N 1 0 321.442 2.315 10 30 DEEERO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000743203838 638124751 /nfs/dbraw/zinc/12/47/51/638124751.db2.gz UHYUQCSGSBXGRS-CYBMUJFWSA-N 1 0 305.353 2.053 10 30 DEEERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(OCC#N)cc1 ZINC000727676753 638210374 /nfs/dbraw/zinc/21/03/74/638210374.db2.gz RNMIRWQSEXLBKR-INIZCTEOSA-N 1 0 301.390 2.080 10 30 DEEERO CCCC[N@H+](C)CCNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746741337 638374380 /nfs/dbraw/zinc/37/43/80/638374380.db2.gz MGCXTZWSSNOBLF-UHFFFAOYSA-N 1 0 318.421 2.098 10 30 DEEERO COCCCn1nccc1C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000801725074 645434275 /nfs/dbraw/zinc/43/42/75/645434275.db2.gz DCNZSHMOIKIVPP-UHFFFAOYSA-N 1 0 314.389 2.090 10 30 DEEERO C[NH+]=C(NC[C@@H]1CC1(C)C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262004628 647164833 /nfs/dbraw/zinc/16/48/33/647164833.db2.gz VIDSZPLYAWQATJ-UONOGXRCSA-N 1 0 302.422 2.156 10 30 DEEERO C[C@H]1CCCN(C(=[NH2+])NCCc2csc(N3CCCC3)n2)C1 ZINC000304761674 685260035 /nfs/dbraw/zinc/26/00/35/685260035.db2.gz USSAYVKFCGMDKD-ZDUSSCGKSA-N 1 0 321.494 2.332 10 30 DEEERO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2OCC#N)CC[N@@H+]1C ZINC000124074272 684131723 /nfs/dbraw/zinc/13/17/23/684131723.db2.gz LETLKFFWSQUZOH-UONOGXRCSA-N 1 0 301.390 2.144 10 30 DEEERO CCc1ccc(NC(=[NH2+])NCCNC(=O)c2ccccc2)cc1 ZINC000303777036 685233994 /nfs/dbraw/zinc/23/39/94/685233994.db2.gz IKDQROGGDCKBRK-UHFFFAOYSA-N 1 0 310.401 2.406 10 30 DEEERO N#Cc1cc(NC(=O)C23CC[NH+](CC2)C3)ccc1Br ZINC000715866052 792529026 /nfs/dbraw/zinc/52/90/26/792529026.db2.gz UDZYBAPINHMGNJ-UHFFFAOYSA-N 1 0 320.190 2.355 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000716955219 797957357 /nfs/dbraw/zinc/95/73/57/797957357.db2.gz DMLMZRXAYCUWIV-RBSFLKMASA-N 1 0 322.449 2.450 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@H](C)Cn2cncn2)cc1OC ZINC000067505096 1079893188 /nfs/dbraw/zinc/89/31/88/1079893188.db2.gz WCUCKMAFWVSNTB-CYBMUJFWSA-N 1 0 302.378 2.030 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000088436900 185250537 /nfs/dbraw/zinc/25/05/37/185250537.db2.gz DMPMYLWJQLJZSY-SNVBAGLBSA-N 1 0 316.348 2.473 10 30 DEEERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1sc(C)c(C)c1C#N ZINC000090543522 185302139 /nfs/dbraw/zinc/30/21/39/185302139.db2.gz JGTKHBWSHOWUFP-STQMWFEESA-N 1 0 307.419 2.190 10 30 DEEERO C=CCC1(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)CCCCC1 ZINC000614071533 362276862 /nfs/dbraw/zinc/27/68/62/362276862.db2.gz XBAQAHJNDUWGFR-GOSISDBHSA-N 1 0 308.466 2.428 10 30 DEEERO COc1cc(C#N)ccc1C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000614779694 362459103 /nfs/dbraw/zinc/45/91/03/362459103.db2.gz FNIIMWWOQAUNKN-HNNXBMFYSA-N 1 0 310.401 2.458 10 30 DEEERO C=CCOc1cccnc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614965003 362500258 /nfs/dbraw/zinc/50/02/58/362500258.db2.gz JEQKKMQYDAUZFP-UHFFFAOYSA-N 1 0 315.417 2.204 10 30 DEEERO C=CC[C@H]1CC[N@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000625704619 365876834 /nfs/dbraw/zinc/87/68/34/365876834.db2.gz YZOPRGSZIQRYFW-HNNXBMFYSA-N 1 0 300.402 2.274 10 30 DEEERO C=C(C)CN(C)S(=O)(=O)c1cc(C[NH2+]CC)cc(F)c1F ZINC000139321119 186021676 /nfs/dbraw/zinc/02/16/76/186021676.db2.gz HEOMUPIHUNTQPE-UHFFFAOYSA-N 1 0 318.389 2.271 10 30 DEEERO CC#CCCCC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617111048 363026582 /nfs/dbraw/zinc/02/65/82/363026582.db2.gz GCVMSLXYCADDLI-UHFFFAOYSA-N 1 0 306.450 2.187 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626124404 366063063 /nfs/dbraw/zinc/06/30/63/366063063.db2.gz MQVXWDOJYDPZCL-JSGCOSHPSA-N 1 0 306.381 2.314 10 30 DEEERO Cc1nsc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1C#N ZINC000333815679 539972795 /nfs/dbraw/zinc/97/27/95/539972795.db2.gz HWHFOTOGIIBCCK-DGCLKSJQSA-N 1 0 319.434 2.414 10 30 DEEERO C#CCOc1ccccc1C[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000236772414 202000920 /nfs/dbraw/zinc/00/09/20/202000920.db2.gz QZXZUNVIAUKXQK-UHFFFAOYSA-N 1 0 314.429 2.435 10 30 DEEERO C=CCOc1ccccc1CN1CC[NH+]([C@H](CC)CO)CC1 ZINC000093740014 355686444 /nfs/dbraw/zinc/68/64/44/355686444.db2.gz GNKXLBYHQGSRRI-QGZVFWFLSA-N 1 0 304.434 2.140 10 30 DEEERO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000181996473 356103713 /nfs/dbraw/zinc/10/37/13/356103713.db2.gz NUMDJDOJJWYABA-GFCCVEGCSA-N 1 0 307.369 2.247 10 30 DEEERO COc1ccc(C#N)cc1C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328630129 356463940 /nfs/dbraw/zinc/46/39/40/356463940.db2.gz JBBFTAVHNBJAOM-HNNXBMFYSA-N 1 0 310.401 2.458 10 30 DEEERO C[C@H]1CCC[C@@](CNC(=O)c2cc(C#N)cn2C)([NH+](C)C)C1 ZINC000081709475 192316921 /nfs/dbraw/zinc/31/69/21/192316921.db2.gz YNYKCYYDYXXVJA-SUMWQHHRSA-N 1 0 302.422 2.137 10 30 DEEERO N#CC1(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000593067389 358000610 /nfs/dbraw/zinc/00/06/10/358000610.db2.gz KMMQDAZVBFGQRK-MSOLQXFVSA-N 1 0 311.429 2.265 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000593905133 358168712 /nfs/dbraw/zinc/16/87/12/358168712.db2.gz NUAJZAQUOBMOHQ-OAHLLOKOSA-N 1 0 323.396 2.313 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCc2ccc(Cl)cn2)CC1 ZINC000180809238 199212312 /nfs/dbraw/zinc/21/23/12/199212312.db2.gz DLCWJXULHRFAKL-UHFFFAOYSA-N 1 0 308.813 2.185 10 30 DEEERO C=CCSCCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595233796 358403840 /nfs/dbraw/zinc/40/38/40/358403840.db2.gz BOGBFORGJWTUIK-OAHLLOKOSA-N 1 0 321.446 2.388 10 30 DEEERO C=C(C)CN(Cc1ccccc1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627149578 366457648 /nfs/dbraw/zinc/45/76/48/366457648.db2.gz JIMRDHVYRQKWMJ-UHFFFAOYSA-N 1 0 317.433 2.282 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000599526476 359516754 /nfs/dbraw/zinc/51/67/54/359516754.db2.gz MSRXTJFBOLCZIM-DZGCQCFKSA-N 1 0 306.362 2.233 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2csc(C)n2)CC1 ZINC000187103434 200062732 /nfs/dbraw/zinc/06/27/32/200062732.db2.gz PWGOCUHBMDMWOH-INIZCTEOSA-N 1 0 317.458 2.460 10 30 DEEERO C=CCCSCC[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000602708348 360509772 /nfs/dbraw/zinc/50/97/72/360509772.db2.gz DQKQMLPQBYNCKS-UHFFFAOYSA-N 1 0 320.524 2.136 10 30 DEEERO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1C ZINC000611225525 361554198 /nfs/dbraw/zinc/55/41/98/361554198.db2.gz UZYPGBOVEDQNBL-OLZOCXBDSA-N 1 0 318.396 2.321 10 30 DEEERO COC1CCN(CC[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000611587800 361642098 /nfs/dbraw/zinc/64/20/98/361642098.db2.gz SGOTXJQGYRHCMF-CYBMUJFWSA-N 1 0 305.397 2.459 10 30 DEEERO C=CCC1(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCCC1 ZINC000620475492 364061302 /nfs/dbraw/zinc/06/13/02/364061302.db2.gz QKTXGAXQVOTOSE-INIZCTEOSA-N 1 0 306.450 2.181 10 30 DEEERO C=CCC[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)C1CC1 ZINC000624116166 365295478 /nfs/dbraw/zinc/29/54/78/365295478.db2.gz JWXBFRYLSKNKFI-LSDHHAIUSA-N 1 0 312.421 2.037 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000624464490 365429731 /nfs/dbraw/zinc/42/97/31/365429731.db2.gz BAQMZITWFBISOF-CVEARBPZSA-N 1 0 323.481 2.266 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(Cc2cccc(C[NH+](C)C)c2)C1=O ZINC000630969978 367942645 /nfs/dbraw/zinc/94/26/45/367942645.db2.gz ISEXCVHOBRNXBM-HNNXBMFYSA-N 1 0 301.390 2.135 10 30 DEEERO CC(C)CS(=O)(=O)Nc1ccc(Cl)c(C#CC[NH3+])c1 ZINC000094671780 193391797 /nfs/dbraw/zinc/39/17/97/193391797.db2.gz ROPHNFUTNHATNE-UHFFFAOYSA-N 1 0 300.811 2.048 10 30 DEEERO [NH3+]CC#Cc1ccccc1O[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000094408506 193367574 /nfs/dbraw/zinc/36/75/74/193367574.db2.gz OWRSELYKKXEDHH-NVXWUHKLSA-N 1 0 303.427 2.430 10 30 DEEERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)n1ccnc1C#N ZINC000094936757 193406296 /nfs/dbraw/zinc/40/62/96/193406296.db2.gz WIXGEMKQVNJZRG-RNCFNFMXSA-N 1 0 305.179 2.454 10 30 DEEERO C=CC[C@@H]([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000160197612 197392826 /nfs/dbraw/zinc/39/28/26/197392826.db2.gz YMNJHVGJSQAILY-SNVBAGLBSA-N 1 0 308.403 2.255 10 30 DEEERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)N(CC)CCC#N)c1 ZINC000042451316 183271705 /nfs/dbraw/zinc/27/17/05/183271705.db2.gz KFTLDIPFFNVGAV-HNNXBMFYSA-N 1 0 309.435 2.281 10 30 DEEERO CCN(CC(F)(F)F)C(=O)c1cc(C#CC[NH3+])ccc1F ZINC000042797839 183310566 /nfs/dbraw/zinc/31/05/66/183310566.db2.gz KRLMQEOUTCXIHI-UHFFFAOYSA-N 1 0 302.271 2.160 10 30 DEEERO OCCC#Cc1ccsc1CN1CC[NH+](CC2CC2)CC1 ZINC000043678657 183378900 /nfs/dbraw/zinc/37/89/00/183378900.db2.gz YTOYWCLBNNGKAA-UHFFFAOYSA-N 1 0 304.459 2.010 10 30 DEEERO C#CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159502363 197358878 /nfs/dbraw/zinc/35/88/78/197358878.db2.gz KYCQSXYKTKQFGB-OAHLLOKOSA-N 1 0 300.402 2.362 10 30 DEEERO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000285023512 218260408 /nfs/dbraw/zinc/26/04/08/218260408.db2.gz ZGHNTXGQFWJHME-NXHRZFHOSA-N 1 0 318.392 2.449 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000273479443 210806422 /nfs/dbraw/zinc/80/64/22/210806422.db2.gz UARIUEWHVQFUGX-DZGCQCFKSA-N 1 0 300.406 2.472 10 30 DEEERO CC#CCCN[C@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000158417189 197269833 /nfs/dbraw/zinc/26/98/33/197269833.db2.gz GMGWSXQHXKDFPR-CYBMUJFWSA-N 1 0 311.223 2.461 10 30 DEEERO C=C(C)CN(CC)S(=O)(=O)c1cc(C)c(F)c(C[NH2+]C)c1 ZINC000159057995 197322394 /nfs/dbraw/zinc/32/23/94/197322394.db2.gz JHHIRNOQNZNWHN-UHFFFAOYSA-N 1 0 314.426 2.440 10 30 DEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000120221699 195122397 /nfs/dbraw/zinc/12/23/97/195122397.db2.gz RESAVWDUYZPPHT-ZBFHGGJFSA-N 1 0 317.433 2.418 10 30 DEEERO CC#CCCN[C@H](C[NH3+])c1cc(Br)ccc1OC ZINC000158389190 197267827 /nfs/dbraw/zinc/26/78/27/197267827.db2.gz PZMXLBFLSVCOOT-CYBMUJFWSA-N 1 0 311.223 2.461 10 30 DEEERO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 ZINC000123324376 195568306 /nfs/dbraw/zinc/56/83/06/195568306.db2.gz GZIBBBGFPQOBLH-HOTGVXAUSA-N 1 0 302.418 2.070 10 30 DEEERO CCC(CC)CNS(=O)(=O)c1ccc(C#CC[NH3+])c(C)c1 ZINC000125456587 195751214 /nfs/dbraw/zinc/75/12/14/195751214.db2.gz PHOFSAFPLAOPPL-UHFFFAOYSA-N 1 0 308.447 2.020 10 30 DEEERO N#C[C@@]1(N2CCC[NH2+]CC2)CCc2cc(Br)ccc21 ZINC000127593809 195891622 /nfs/dbraw/zinc/89/16/22/195891622.db2.gz CCXKVTYNFNFGCF-HNNXBMFYSA-N 1 0 320.234 2.409 10 30 DEEERO CC(C)[NH2+]Cc1c(Cl)cccc1OCC(=O)NCCC#N ZINC000127845906 195914841 /nfs/dbraw/zinc/91/48/41/195914841.db2.gz VSVJISBPYBBVNC-UHFFFAOYSA-N 1 0 309.797 2.247 10 30 DEEERO N#Cc1ccc(Cl)c(NC(=O)CCOC2CC[NH2+]CC2)c1 ZINC000127880411 195918051 /nfs/dbraw/zinc/91/80/51/195918051.db2.gz WHOSMVPKCCCCLY-UHFFFAOYSA-N 1 0 307.781 2.309 10 30 DEEERO N#Cc1cccc2c1CN(C(=O)c1cn[nH]c1[C@H]1CCCC[NH2+]1)C2 ZINC000685942591 542769153 /nfs/dbraw/zinc/76/91/53/542769153.db2.gz PIGGSUZKFJHOHX-MRXNPFEDSA-N 1 0 321.384 2.252 10 30 DEEERO N#Cc1ccccc1CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189726881 145032985 /nfs/dbraw/zinc/03/29/85/145032985.db2.gz JZLRWWLEHQVQSC-UHFFFAOYSA-N 1 0 307.401 2.481 10 30 DEEERO Cc1ccc(N2CCC([NH2+]Cc3cc(C#N)n(C)c3)CC2)nc1 ZINC000191183953 145054381 /nfs/dbraw/zinc/05/43/81/145054381.db2.gz WYUIILTTYAQXTB-UHFFFAOYSA-N 1 0 309.417 2.359 10 30 DEEERO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(F)c(F)c1 ZINC000007018595 401735283 /nfs/dbraw/zinc/73/52/83/401735283.db2.gz KOYSAECJTOAHGD-MGPLVRAMSA-N 1 0 307.344 2.424 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494481 401802562 /nfs/dbraw/zinc/80/25/62/401802562.db2.gz OSOQEWQNVBRUIW-PBHICJAKSA-N 1 0 305.422 2.209 10 30 DEEERO C[C@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1 ZINC000132370610 401866359 /nfs/dbraw/zinc/86/63/59/401866359.db2.gz HTXQHSOXUGJFGN-YOEHRIQHSA-N 1 0 315.417 2.016 10 30 DEEERO CC[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1nccs1 ZINC000134236032 401900798 /nfs/dbraw/zinc/90/07/98/401900798.db2.gz YITKOBVANQMDSZ-ZFWWWQNUSA-N 1 0 317.414 2.495 10 30 DEEERO C#CCOC[C@H](O)C[N@@H+](CCCOC)Cc1cc(C)ccc1C ZINC000036097415 401902852 /nfs/dbraw/zinc/90/28/52/401902852.db2.gz PPHVUNCSFJFDKI-LJQANCHMSA-N 1 0 319.445 2.153 10 30 DEEERO C=C[C@H](CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000135016387 401923571 /nfs/dbraw/zinc/92/35/71/401923571.db2.gz FOPNPBILRMPFEM-WBVHZDCISA-N 1 0 302.418 2.135 10 30 DEEERO CC[NH+]1CCN(c2ccccc2NC(=O)CSCC#N)CC1 ZINC000047903868 401990283 /nfs/dbraw/zinc/99/02/83/401990283.db2.gz MZXRCICIQQUGAX-UHFFFAOYSA-N 1 0 318.446 2.024 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OCC#N ZINC000119400105 401947847 /nfs/dbraw/zinc/94/78/47/401947847.db2.gz KKOHVVZOQNCEKE-OAHLLOKOSA-N 1 0 315.417 2.439 10 30 DEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000121111568 402016012 /nfs/dbraw/zinc/01/60/12/402016012.db2.gz RRDBBPJKXLFPAI-CQSZACIVSA-N 1 0 310.438 2.075 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000051952810 402037581 /nfs/dbraw/zinc/03/75/81/402037581.db2.gz NTNAJXSRIOROOI-MRXNPFEDSA-N 1 0 305.466 2.136 10 30 DEEERO CCn1cc(CN2CCCN(Cc3ccc(C#N)o3)CC2)cn1 ZINC000121621776 402046675 /nfs/dbraw/zinc/04/66/75/402046675.db2.gz RRIJILQFALRZRC-UHFFFAOYSA-N 1 0 313.405 2.076 10 30 DEEERO C=CCc1cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc(OC)c1O ZINC000092588570 402006561 /nfs/dbraw/zinc/00/65/61/402006561.db2.gz SGUBJGOIEICHOM-OAHLLOKOSA-N 1 0 318.417 2.359 10 30 DEEERO CC[C@@](C)(O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000123297074 402120383 /nfs/dbraw/zinc/12/03/83/402120383.db2.gz CATWGEIGJDCYEX-GOSISDBHSA-N 1 0 301.434 2.227 10 30 DEEERO CCCn1cc(C[N@@H+]2CCCN(c3cccc(C#N)n3)CC2)cn1 ZINC000151955700 402067663 /nfs/dbraw/zinc/06/76/63/402067663.db2.gz VCVYNSYJOYBTMS-UHFFFAOYSA-N 1 0 324.432 2.272 10 30 DEEERO Clc1cccc(C#CC[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000153562942 402152889 /nfs/dbraw/zinc/15/28/89/402152889.db2.gz RQMRIVYZXANQHN-QGZVFWFLSA-N 1 0 304.821 2.098 10 30 DEEERO C#CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000124571179 402186306 /nfs/dbraw/zinc/18/63/06/402186306.db2.gz NWWWVMRJWOXZGJ-HOCLYGCPSA-N 1 0 300.402 2.253 10 30 DEEERO Fc1ccc(C#CC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000154124417 402194040 /nfs/dbraw/zinc/19/40/40/402194040.db2.gz IFGNJTIGVJNGDI-LJQANCHMSA-N 1 0 316.420 2.364 10 30 DEEERO C=CC[C@@H](CO)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000185780739 402376672 /nfs/dbraw/zinc/37/66/72/402376672.db2.gz BOQQAOPOXGNXOV-LBPRGKRZSA-N 1 0 302.374 2.161 10 30 DEEERO C=C(C)C[C@H](C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000185857539 402383335 /nfs/dbraw/zinc/38/33/35/402383335.db2.gz BXFLTVLJDLSPOQ-LBPRGKRZSA-N 1 0 303.406 2.388 10 30 DEEERO C=CCC(CC=C)C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000163023802 402439910 /nfs/dbraw/zinc/43/99/10/402439910.db2.gz QACOFDOYHJEHMC-GOSISDBHSA-N 1 0 319.493 2.383 10 30 DEEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2cccs2)c1 ZINC000163064816 402440812 /nfs/dbraw/zinc/44/08/12/402440812.db2.gz ZGJHWPNDDFXMMU-UHFFFAOYSA-N 1 0 320.439 2.226 10 30 DEEERO C[C@H](NC(=O)c1cc(C#N)cn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000185939332 402391368 /nfs/dbraw/zinc/39/13/68/402391368.db2.gz HQRHESTYDIDZEG-SUMWQHHRSA-N 1 0 310.401 2.318 10 30 DEEERO C[C@H](NC(=O)c1cc(C#N)cn1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000185939294 402391548 /nfs/dbraw/zinc/39/15/48/402391548.db2.gz HQRHESTYDIDZEG-GUYCJALGSA-N 1 0 310.401 2.318 10 30 DEEERO C=C(C)[C@@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000187783228 402511627 /nfs/dbraw/zinc/51/16/27/402511627.db2.gz SZMBPUCHLJTWDE-CXAGYDPISA-N 1 0 324.371 2.155 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000246385850 402528775 /nfs/dbraw/zinc/52/87/75/402528775.db2.gz JKZNSGKPAZMFIX-KCQAQPDRSA-N 1 0 313.401 2.067 10 30 DEEERO C[N@@H+]1CC[C@@H](NC(=O)NCCCCC#N)[C@@H]1c1ccccc1 ZINC000179149863 402576466 /nfs/dbraw/zinc/57/64/66/402576466.db2.gz AGCBMFXYVVRYJW-CVEARBPZSA-N 1 0 300.406 2.425 10 30 DEEERO C[N@H+](CCCSCC#N)[C@H]1CCCN(c2cccnn2)C1 ZINC000173883812 402717133 /nfs/dbraw/zinc/71/71/33/402717133.db2.gz VCNZOTDPYBLMCA-AWEZNQCLSA-N 1 0 305.451 2.024 10 30 DEEERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000182896802 402725272 /nfs/dbraw/zinc/72/52/72/402725272.db2.gz CAXFUZZBOXREHN-DYVFJYSZSA-N 1 0 309.369 2.208 10 30 DEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1cc(C#N)ccc1F ZINC000173997660 402723125 /nfs/dbraw/zinc/72/31/25/402723125.db2.gz UQTJPKIUVNRKBK-HNNXBMFYSA-N 1 0 320.412 2.473 10 30 DEEERO C=CC[C@@H](CO)[NH2+][C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000273433662 403004604 /nfs/dbraw/zinc/00/46/04/403004604.db2.gz LOZQNNOXHQOHSP-GOEBONIOSA-N 1 0 320.433 2.131 10 30 DEEERO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000282213045 403132779 /nfs/dbraw/zinc/13/27/79/403132779.db2.gz HZECRPGLWNBLJL-UHFFFAOYSA-N 1 0 313.405 2.317 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000298368420 403367803 /nfs/dbraw/zinc/36/78/03/403367803.db2.gz QCCBMILMQIXRTE-HOCLYGCPSA-N 1 0 314.389 2.115 10 30 DEEERO C#CCC(CC#C)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000287310886 403573354 /nfs/dbraw/zinc/57/33/54/403573354.db2.gz UJNJXCYNFDHDQP-UHFFFAOYSA-N 1 0 300.446 2.374 10 30 DEEERO C=CCN1CC[C@H]([N@H+](C)Cc2cc(-n3ccnc3)cs2)C1=O ZINC000343624561 403667907 /nfs/dbraw/zinc/66/79/07/403667907.db2.gz QDMIANABQLLYBR-HNNXBMFYSA-N 1 0 316.430 2.153 10 30 DEEERO C#CCCOc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000294763236 403732290 /nfs/dbraw/zinc/73/22/90/403732290.db2.gz ZXEFWGUDGAVJDY-MRXNPFEDSA-N 1 0 300.402 2.255 10 30 DEEERO C#CCC(CC#C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000288497233 403755895 /nfs/dbraw/zinc/75/58/95/403755895.db2.gz SLUSOPJXMXZXDM-IBGZPJMESA-N 1 0 308.425 2.382 10 30 DEEERO CN(C[C@H](C#N)CCC#N)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328622013 404116994 /nfs/dbraw/zinc/11/69/94/404116994.db2.gz AWMZIMKMWJBGNN-SZMVWBNQSA-N 1 0 311.433 2.450 10 30 DEEERO O=C(CCNC(=O)C1CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000328665688 404127395 /nfs/dbraw/zinc/12/73/95/404127395.db2.gz CFILGHIUKSUTKM-OAHLLOKOSA-N 1 0 307.438 2.220 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328758474 404145523 /nfs/dbraw/zinc/14/55/23/404145523.db2.gz VWIJUGJUCOJJAL-RDBSUJKOSA-N 1 0 322.453 2.260 10 30 DEEERO C[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1C1CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000328850772 404161467 /nfs/dbraw/zinc/16/14/67/404161467.db2.gz URRPIYGFVCFERP-RRCSTGOVSA-N 1 0 309.454 2.178 10 30 DEEERO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)C1=O ZINC000338215890 404353244 /nfs/dbraw/zinc/35/32/44/404353244.db2.gz ZLQMOLTXUNLHRI-ALYAQQCSSA-N 1 0 306.450 2.035 10 30 DEEERO CN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C1CCC1 ZINC000329531427 404366577 /nfs/dbraw/zinc/36/65/77/404366577.db2.gz WOPBYTYUKHBEMF-XJKSGUPXSA-N 1 0 319.453 2.201 10 30 DEEERO C=CCn1c(N2C[C@H]3CCC[N@H+]3C[C@H]2C)nnc1C(C)(C)C ZINC000350624127 404425169 /nfs/dbraw/zinc/42/51/69/404425169.db2.gz YWIBBTQRCYZPBO-ZIAGYGMSSA-N 1 0 303.454 2.435 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000365957489 404747271 /nfs/dbraw/zinc/74/72/71/404747271.db2.gz XBIPSIOCCXJHPC-BRWVUGGUSA-N 1 0 306.450 2.445 10 30 DEEERO Cc1oc(C#N)cc1C(=O)N1CCN[C@H](c2cccc(F)c2)C1 ZINC000367091375 404927121 /nfs/dbraw/zinc/92/71/21/404927121.db2.gz JLMJEYZDEQHYOG-INIZCTEOSA-N 1 0 313.332 2.386 10 30 DEEERO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000434739132 404930961 /nfs/dbraw/zinc/93/09/61/404930961.db2.gz TXNOLRVZBAFMNG-LSDHHAIUSA-N 1 0 300.468 2.231 10 30 DEEERO C#CCCC[NH2+][C@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000367596010 405098766 /nfs/dbraw/zinc/09/87/66/405098766.db2.gz OQRDOXPYGHFGGA-JKSUJKDBSA-N 1 0 322.449 2.404 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451918157 405092591 /nfs/dbraw/zinc/09/25/91/405092591.db2.gz YEWSWTFEBGBRAF-AVGNSLFASA-N 1 0 322.371 2.045 10 30 DEEERO C=CCC1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCOCC1 ZINC000424839595 405192914 /nfs/dbraw/zinc/19/29/14/405192914.db2.gz FWTOEPSZSHDNQY-KRWDZBQOSA-N 1 0 306.450 2.304 10 30 DEEERO CC[NH+](CC)CC1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000439238615 405270475 /nfs/dbraw/zinc/27/04/75/405270475.db2.gz XDGUMCKGNKESSR-UHFFFAOYSA-N 1 0 315.483 2.064 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000438440332 405246617 /nfs/dbraw/zinc/24/66/17/405246617.db2.gz CQRJYNSLYGSYRX-JJXSEGSLSA-N 1 0 309.454 2.092 10 30 DEEERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C#N)n2C)C1 ZINC000448775791 405447469 /nfs/dbraw/zinc/44/74/69/405447469.db2.gz TXFRYWOJUTZNNU-KBPBESRZSA-N 1 0 316.449 2.383 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000459041117 405709910 /nfs/dbraw/zinc/70/99/10/405709910.db2.gz MABUKLPZNQXELP-FZKCQIBNSA-N 1 0 309.454 2.092 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)[NH+](C)C ZINC000459049094 405715382 /nfs/dbraw/zinc/71/53/82/405715382.db2.gz YKLMKVAIPVLAMA-ZDUSSCGKSA-N 1 0 320.393 2.243 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633606046 405741500 /nfs/dbraw/zinc/74/15/00/405741500.db2.gz YXMIZBLIUCMXQJ-ZBFHGGJFSA-N 1 0 304.438 2.309 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000450277644 405812023 /nfs/dbraw/zinc/81/20/23/405812023.db2.gz PPQHJGATPIBVAS-QZWWFDLISA-N 1 0 300.402 2.139 10 30 DEEERO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCNC(=O)CC1 ZINC000450296260 405821040 /nfs/dbraw/zinc/82/10/40/405821040.db2.gz CGVJGCNWMQBXJZ-CQSZACIVSA-N 1 0 317.389 2.499 10 30 DEEERO N#Cc1cc(Br)cnc1N1CC[NH+]2CCC1CC2 ZINC000450476099 405918400 /nfs/dbraw/zinc/91/84/00/405918400.db2.gz NAIYDGAUCQWQIG-UHFFFAOYSA-N 1 0 307.195 2.000 10 30 DEEERO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000565758223 406083257 /nfs/dbraw/zinc/08/32/57/406083257.db2.gz GQVCYWVSMLKFJE-LTIDMASMSA-N 1 0 315.417 2.075 10 30 DEEERO C=CCOc1ccc(CN2CCC([NH2+]CCOC)CC2)cc1 ZINC000567476517 406096666 /nfs/dbraw/zinc/09/66/66/406096666.db2.gz PTCBGUCOSXSYKZ-UHFFFAOYSA-N 1 0 304.434 2.452 10 30 DEEERO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)CC1(O)CCOCC1 ZINC000639618197 406172594 /nfs/dbraw/zinc/17/25/94/406172594.db2.gz FQCULGOINSBYLY-GOSISDBHSA-N 1 0 319.445 2.357 10 30 DEEERO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634718010 406244144 /nfs/dbraw/zinc/24/41/44/406244144.db2.gz VCOOMIBZFCYJOL-QZTJIDSGSA-N 1 0 319.445 2.056 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000633040077 406360390 /nfs/dbraw/zinc/36/03/90/406360390.db2.gz GLPPHPOBVUJEHA-DLBZAZTESA-N 1 0 321.465 2.284 10 30 DEEERO COc1cc(C#N)ccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545294683 406311514 /nfs/dbraw/zinc/31/15/14/406311514.db2.gz OUNBVRWQRPCJFY-UHFFFAOYSA-N 1 0 314.389 2.340 10 30 DEEERO N#Cc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c(F)c1 ZINC000549260615 406581659 /nfs/dbraw/zinc/58/16/59/406581659.db2.gz DPPOEIUXNOJEDO-WBVHZDCISA-N 1 0 318.392 2.355 10 30 DEEERO C[NH2+][C@H](C)c1cc(Br)ccc1N1CCO[C@H](C#N)C1 ZINC000129024824 196012828 /nfs/dbraw/zinc/01/28/28/196012828.db2.gz NTXGMOKVULERFX-ZYHUDNBSSA-N 1 0 324.222 2.458 10 30 DEEERO COc1ccc(CSc2nc(C)ns2)cc1C#CC[NH3+] ZINC000130983321 196129525 /nfs/dbraw/zinc/12/95/25/196129525.db2.gz KIXGLSBVHMJIFC-UHFFFAOYSA-N 1 0 305.428 2.458 10 30 DEEERO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)s1 ZINC000130991350 196130056 /nfs/dbraw/zinc/13/00/56/196130056.db2.gz JCFWLBYZCKACKZ-CQSZACIVSA-N 1 0 305.447 2.306 10 30 DEEERO C[C@@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(Br)cc1C#N ZINC000134161914 196366441 /nfs/dbraw/zinc/36/64/41/196366441.db2.gz KEHSIVUUHBAJGC-GXFFZTMASA-N 1 0 324.222 2.500 10 30 DEEERO Cc1cccc2nc(CNC(=[NH2+])NCCc3cccs3)cn21 ZINC000262519557 225275480 /nfs/dbraw/zinc/27/54/80/225275480.db2.gz NPOVUKBMIPFHJP-UHFFFAOYSA-N 1 0 313.430 2.351 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O ZINC000285017485 275384906 /nfs/dbraw/zinc/38/49/06/275384906.db2.gz GTYKCKPIAHEVTO-RBUKOAKNSA-N 1 0 324.399 2.446 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000284430493 276890241 /nfs/dbraw/zinc/89/02/41/276890241.db2.gz YNQVBZJYNVHXEN-PKOBYXMFSA-N 1 0 313.445 2.222 10 30 DEEERO C[NH+]=C(NCC1(O)CCC1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261949577 277749661 /nfs/dbraw/zinc/74/96/61/277749661.db2.gz GXHBSXBFPABKJZ-AWEZNQCLSA-N 1 0 317.433 2.369 10 30 DEEERO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000126997544 282076011 /nfs/dbraw/zinc/07/60/11/282076011.db2.gz MOGAVFMPUJYDOH-UHFFFAOYSA-N 1 0 315.826 2.007 10 30 DEEERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000329020684 289323717 /nfs/dbraw/zinc/32/37/17/289323717.db2.gz SPCWNZOPCRWHAA-ZVDSWSACSA-N 1 0 321.465 2.320 10 30 DEEERO C[NH+]1CCC(CCNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000189317228 333072277 /nfs/dbraw/zinc/07/22/77/333072277.db2.gz DZQMKCGEYBWWQR-UHFFFAOYSA-N 1 0 311.429 2.438 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)[C@H](C)CCC)CC1 ZINC000518777886 333162119 /nfs/dbraw/zinc/16/21/19/333162119.db2.gz BLSIWKUTQCGLLA-GDBMZVCRSA-N 1 0 311.470 2.123 10 30 DEEERO C#CCOc1ccc(C[NH2+]C2CCN(c3ncccn3)CC2)cc1 ZINC000113321891 337391101 /nfs/dbraw/zinc/39/11/01/337391101.db2.gz LWLPLYGDLOFTTJ-UHFFFAOYSA-N 1 0 322.412 2.247 10 30 DEEERO C#CCN(C)CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400338800 340143926 /nfs/dbraw/zinc/14/39/26/340143926.db2.gz GDBVUDIOVIJVHU-JKSUJKDBSA-N 1 0 323.481 2.177 10 30 DEEERO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)CCC#N)CC1 ZINC000126563330 340828613 /nfs/dbraw/zinc/82/86/13/340828613.db2.gz BVISBBYDVJWJMR-UHFFFAOYSA-N 1 0 315.421 2.206 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1cccc(CC)c1 ZINC000566119049 341548196 /nfs/dbraw/zinc/54/81/96/341548196.db2.gz PFLSKTDRSWEBPJ-BQFCYCMXSA-N 1 0 305.418 2.169 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2SCCc3ccccc32)CCO1 ZINC000262458367 534271344 /nfs/dbraw/zinc/27/13/44/534271344.db2.gz LSWCYDYJHNJXPM-DOMZBBRYSA-N 1 0 305.447 2.052 10 30 DEEERO [NH2+]=C(NCCn1ccc2cc(Cl)ccc21)NC[C@@H]1CCCO1 ZINC000261830064 534833269 /nfs/dbraw/zinc/83/32/69/534833269.db2.gz AGFGDPJYFSLBAK-AWEZNQCLSA-N 1 0 320.824 2.378 10 30 DEEERO C[NH+]=C(NCc1cccnc1N(C)C)N1CCc2ccccc21 ZINC000263268490 526385124 /nfs/dbraw/zinc/38/51/24/526385124.db2.gz VZGRMLAWVASCAD-UHFFFAOYSA-N 1 0 309.417 2.286 10 30 DEEERO C[NH+]=C(NCc1nccc2ccccc21)N[C@H]1CCN(C2CC2)C1 ZINC000262736300 526390536 /nfs/dbraw/zinc/39/05/36/526390536.db2.gz CPSHUIDNPAVATA-HNNXBMFYSA-N 1 0 323.444 2.137 10 30 DEEERO C=CCN1CC[C@H]([N@H+]2CCN(c3ccccc3)C[C@H]2CC)C1=O ZINC000337205727 526509870 /nfs/dbraw/zinc/50/98/70/526509870.db2.gz LDRVBVIMSSLZSP-AEFFLSMTSA-N 1 0 313.445 2.374 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC(C)(CCOC)C2)CC1 ZINC000358700152 526583731 /nfs/dbraw/zinc/58/37/31/526583731.db2.gz YWFPLKSMIODKGB-UHFFFAOYSA-N 1 0 309.454 2.095 10 30 DEEERO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000373878787 526831129 /nfs/dbraw/zinc/83/11/29/526831129.db2.gz RPNHRZVICBUOKM-AKBNIOSXSA-N 1 0 321.465 2.282 10 30 DEEERO C=CCOc1ccc(CC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1 ZINC000296645748 526857267 /nfs/dbraw/zinc/85/72/67/526857267.db2.gz WZTSGOFPJPWDHQ-GASCZTMLSA-N 1 0 302.418 2.345 10 30 DEEERO C=CCSCCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000417345181 526991190 /nfs/dbraw/zinc/99/11/90/526991190.db2.gz RHLYKLVWEYKPLK-UHFFFAOYSA-N 1 0 323.506 2.358 10 30 DEEERO C=CCCCCC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000193407704 527133851 /nfs/dbraw/zinc/13/38/51/527133851.db2.gz AJJQJNBZJQJSAW-HNNXBMFYSA-N 1 0 300.468 2.233 10 30 DEEERO C=CCCCS(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000292757607 527238599 /nfs/dbraw/zinc/23/85/99/527238599.db2.gz WPQAOSDEDYUNKE-KRWDZBQOSA-N 1 0 322.474 2.489 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246827440 527610748 /nfs/dbraw/zinc/61/07/48/527610748.db2.gz ZEXSOTAHDKAOBZ-HZPDHXFCSA-N 1 0 318.417 2.368 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195504880 527627142 /nfs/dbraw/zinc/62/71/42/527627142.db2.gz SDGWABRAGPDKER-OAHLLOKOSA-N 1 0 316.449 2.189 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000247379698 527627338 /nfs/dbraw/zinc/62/73/38/527627338.db2.gz VSNMGECVSBKPFR-IAGOWNOFSA-N 1 0 316.449 2.418 10 30 DEEERO CC[NH+]=C(NCC1CC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261665713 528803211 /nfs/dbraw/zinc/80/32/11/528803211.db2.gz BKKRIGDUAIHPSU-ZDUSSCGKSA-N 1 0 321.856 2.279 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1OCC#N ZINC000246532224 529306083 /nfs/dbraw/zinc/30/60/83/529306083.db2.gz IRHKPFOCZXIWPH-GJZGRUSLSA-N 1 0 313.401 2.288 10 30 DEEERO C=CCOCC[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000394137580 625384582 /nfs/dbraw/zinc/38/45/82/625384582.db2.gz OUPUHRBGXXKYGS-UHFFFAOYSA-N 1 0 316.195 2.456 10 30 DEEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000125782440 634771088 /nfs/dbraw/zinc/77/10/88/634771088.db2.gz JIXHDESSXZNMKY-GHMZBOCLSA-N 1 0 314.307 2.374 10 30 DEEERO C[C@H]1C[N@H+](Cc2ccccc2)CCC1=NNC(=S)N(C)C ZINC000734365411 633363199 /nfs/dbraw/zinc/36/31/99/633363199.db2.gz ZNMKUDUBPWFVJM-ZDUSSCGKSA-N 1 0 304.463 2.321 10 30 DEEERO CNC(=O)C1([NH2+]Cc2cc(Cl)ccc2OCC#N)CCCC1 ZINC000735310666 633501401 /nfs/dbraw/zinc/50/14/01/633501401.db2.gz AFUROPJPCBTMRH-UHFFFAOYSA-N 1 0 321.808 2.391 10 30 DEEERO CC[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)Oc1ccccc1C ZINC000178562166 635793631 /nfs/dbraw/zinc/79/36/31/635793631.db2.gz RFMNAMZHOFDOPS-LSDHHAIUSA-N 1 0 305.422 2.236 10 30 DEEERO C=CCc1cc(OC)cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000178892575 636492578 /nfs/dbraw/zinc/49/25/78/636492578.db2.gz WPHKUBNUALJFSN-MRXNPFEDSA-N 1 0 302.418 2.409 10 30 DEEERO C=CCc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(O)c(OC)c1 ZINC000178892552 636492812 /nfs/dbraw/zinc/49/28/12/636492812.db2.gz QJEWIAZFFFRBNS-MRXNPFEDSA-N 1 0 302.418 2.409 10 30 DEEERO C=C(C)CN(CC)C(=O)COC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000803858753 645706975 /nfs/dbraw/zinc/70/69/75/645706975.db2.gz SRTRFVCARQJZPU-OAHLLOKOSA-N 1 0 310.438 2.219 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000804456274 645774018 /nfs/dbraw/zinc/77/40/18/645774018.db2.gz WCASZPMRKPTBEQ-IRXDYDNUSA-N 1 0 316.470 2.175 10 30 DEEERO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000807169060 645918185 /nfs/dbraw/zinc/91/81/85/645918185.db2.gz FNDXXMXHLUUAKP-QZTJIDSGSA-N 1 0 305.381 2.238 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(C(=O)OC)cc1 ZINC000121385922 649335957 /nfs/dbraw/zinc/33/59/57/649335957.db2.gz ONOXGROZHODZCR-CQSZACIVSA-N 1 0 317.385 2.364 10 30 DEEERO CC[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)Oc1ccccc1F ZINC000304671653 685257920 /nfs/dbraw/zinc/25/79/20/685257920.db2.gz CGEPTZRVDKQRIR-CHWSQXEVSA-N 1 0 309.385 2.066 10 30 DEEERO COCCN1[C@H](C)CN(C(=O)c2ccc(C#N)cc2C)C[C@@H]1C ZINC000120843356 684101700 /nfs/dbraw/zinc/10/17/00/684101700.db2.gz SWAWIMWAQGCJQI-GASCZTMLSA-N 1 0 315.417 2.048 10 30 DEEERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2OCC#N)CC[N@@H+]1C ZINC000124074459 684131613 /nfs/dbraw/zinc/13/16/13/684131613.db2.gz LETLKFFWSQUZOH-KGLIPLIRSA-N 1 0 301.390 2.144 10 30 DEEERO COCC[N@@H+]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C[C@H]1C ZINC000245730839 685117130 /nfs/dbraw/zinc/11/71/30/685117130.db2.gz JTNHKCQTUIZDNC-HZPDHXFCSA-N 1 0 317.433 2.130 10 30 DEEERO CC[C@H](C)NC(=[NH2+])NCc1ccc(OC)c(OC(F)F)c1 ZINC000303267412 685231026 /nfs/dbraw/zinc/23/10/26/685231026.db2.gz XGEZTYHHHXQKGD-VIFPVBQESA-N 1 0 301.337 2.499 10 30 DEEERO COc1ccc(CNC(=[NH2+])NCC(C)C)cc1OC(F)F ZINC000303908940 685240062 /nfs/dbraw/zinc/24/00/62/685240062.db2.gz XYTWFHLTZAJUQW-UHFFFAOYSA-N 1 0 301.337 2.357 10 30 DEEERO [NH2+]=C(NCCOCc1ccccc1)NCCc1cccs1 ZINC000304472433 685255142 /nfs/dbraw/zinc/25/51/42/685255142.db2.gz FCIRCCNNUQZDHO-UHFFFAOYSA-N 1 0 303.431 2.412 10 30 DEEERO CC[C@@H](C)c1ccc(NC(=O)C[N+]23CCN(CC2)CC3)cc1 ZINC000007613221 717105860 /nfs/dbraw/zinc/10/58/60/717105860.db2.gz AGOPRYHVPSOGBV-OAHLLOKOSA-O 1 0 302.442 2.285 10 30 DEEERO CCNC(=O)C[N@@+]1(CC)c2ccc(C(=O)OCC)cc2N=C1C ZINC000249701457 717164837 /nfs/dbraw/zinc/16/48/37/717164837.db2.gz IFCMXHFMZAEFNR-HXUWFJFHSA-O 1 0 318.397 2.390 10 30 DEEERO C[C@@H](C#N)OCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720788405 776918088 /nfs/dbraw/zinc/91/80/88/776918088.db2.gz JTYVYHRQVFPYHD-UHOSZYNNSA-N 1 0 313.445 2.369 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000800086687 799309563 /nfs/dbraw/zinc/30/95/63/799309563.db2.gz IMOJTZHGCRDNTA-KRWDZBQOSA-N 1 0 316.832 2.269 10 30 DEEERO C=CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C(C)C)cc1 ZINC000162580917 197575827 /nfs/dbraw/zinc/57/58/27/197575827.db2.gz DAHFDMCZMKSFRX-UHFFFAOYSA-N 1 0 310.463 2.424 10 30 DEEERO CCn1ccnc1CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000263154954 529566777 /nfs/dbraw/zinc/56/67/77/529566777.db2.gz PVNCPVYGHUVNRD-UHFFFAOYSA-N 1 0 307.785 2.492 10 30 DEEERO CN1CCC[C@H]1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181579845 199320868 /nfs/dbraw/zinc/32/08/68/199320868.db2.gz PGIVYTOWOHBOSO-IBGZPJMESA-N 1 0 312.461 2.206 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(CCC)CC(F)(F)F ZINC000625460871 365795277 /nfs/dbraw/zinc/79/52/77/365795277.db2.gz YQWNIUYGNYOJPS-NEPJUHHUSA-N 1 0 308.344 2.111 10 30 DEEERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCC3CCC(C#N)CC3)CC[C@@H]21 ZINC000369116043 530064271 /nfs/dbraw/zinc/06/42/71/530064271.db2.gz KTCCJVTZWAAFJV-GQGLESIBSA-N 1 0 318.465 2.442 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)N(CC)CCC[NH+]1CCCC1 ZINC000625539689 365821090 /nfs/dbraw/zinc/82/10/90/365821090.db2.gz DUNDZJDUNGDGBW-UHFFFAOYSA-N 1 0 323.481 2.039 10 30 DEEERO C=CCCc1ccccc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000625886243 365943368 /nfs/dbraw/zinc/94/33/68/365943368.db2.gz NNWHCCSJFVAIAA-UHFFFAOYSA-N 1 0 303.406 2.435 10 30 DEEERO Cc1ccc(C(=O)N2CCS[C@@H](C)[C@@H]2C)cc1C#CC[NH3+] ZINC000133672257 186005186 /nfs/dbraw/zinc/00/51/86/186005186.db2.gz YGKXKXZIZLMPLV-KBPBESRZSA-N 1 0 302.443 2.271 10 30 DEEERO Cc1ccc(C(=O)N2CCS[C@H](C)[C@@H]2C)c(C#CC[NH3+])c1 ZINC000133672875 186005195 /nfs/dbraw/zinc/00/51/95/186005195.db2.gz MZSFCJKNHOWNPS-UONOGXRCSA-N 1 0 302.443 2.271 10 30 DEEERO C=CCCCN(C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139324410 186021934 /nfs/dbraw/zinc/02/19/34/186021934.db2.gz XVPCWRLUWANIHA-UHFFFAOYSA-N 1 0 304.362 2.010 10 30 DEEERO C=CCc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc(OC)c1O ZINC000159569189 186127499 /nfs/dbraw/zinc/12/74/99/186127499.db2.gz MNALYIBMAICJIX-WFASDCNBSA-N 1 0 318.417 2.215 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171441846 186160958 /nfs/dbraw/zinc/16/09/58/186160958.db2.gz OJZQNHRULVAEBA-GDBMZVCRSA-N 1 0 313.401 2.022 10 30 DEEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CNC(=O)c1ccsc1 ZINC000329620616 539924442 /nfs/dbraw/zinc/92/44/42/539924442.db2.gz FLVCNMKJSPYQGD-TZMCWYRMSA-N 1 0 321.446 2.138 10 30 DEEERO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000173794692 198253178 /nfs/dbraw/zinc/25/31/78/198253178.db2.gz CHCNEMAMPUKNHC-BBRMVZONSA-N 1 0 300.406 2.182 10 30 DEEERO C=C(C)C(C)(C)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617696004 363226272 /nfs/dbraw/zinc/22/62/72/363226272.db2.gz AHCVNCDJWHZSKL-KRWDZBQOSA-N 1 0 316.445 2.472 10 30 DEEERO Cc1cc(Br)c(NC(N)=[NH2+])c(Br)c1 ZINC000052091842 354394459 /nfs/dbraw/zinc/39/44/59/354394459.db2.gz WIRLSNHVBAZBMQ-UHFFFAOYSA-N 1 0 306.989 2.425 10 30 DEEERO N#Cc1nc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)ccc1Cl ZINC000085689378 355495129 /nfs/dbraw/zinc/49/51/29/355495129.db2.gz BOYKYJHSFQNUCI-CHWSQXEVSA-N 1 0 320.824 2.032 10 30 DEEERO C=CCCC[C@@H](C)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000091506909 355599832 /nfs/dbraw/zinc/59/98/32/355599832.db2.gz FKTAIHLTHRDKPO-CQSZACIVSA-N 1 0 314.437 2.230 10 30 DEEERO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)[C@H](C)O ZINC000445589582 540185008 /nfs/dbraw/zinc/18/50/08/540185008.db2.gz UJURWGSUVLHIJW-UONOGXRCSA-N 1 0 324.494 2.354 10 30 DEEERO CC(C)[N@@H+]1CCC[C@@H](CNCc2cnc3ccc(C#N)cn23)C1 ZINC000123637970 355805649 /nfs/dbraw/zinc/80/56/49/355805649.db2.gz DZARGPPRMFKBES-INIZCTEOSA-N 1 0 311.433 2.416 10 30 DEEERO C=CCCn1cc(C[NH2+][C@]2(C)CCCC[C@H]2C(=O)OC)nn1 ZINC000593968830 358180879 /nfs/dbraw/zinc/18/08/79/358180879.db2.gz RNDGHHORQDNJAO-GOEBONIOSA-N 1 0 306.410 2.066 10 30 DEEERO N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(Br)cc1 ZINC000594426599 358265783 /nfs/dbraw/zinc/26/57/83/358265783.db2.gz FOPMFVPCXYLEBT-ZDUSSCGKSA-N 1 0 324.222 2.477 10 30 DEEERO C=CCOc1ccccc1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594433475 358268769 /nfs/dbraw/zinc/26/87/69/358268769.db2.gz FKQMHYVJCINKBI-HNNXBMFYSA-N 1 0 301.390 2.279 10 30 DEEERO C=CCCSCCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000595939416 358584374 /nfs/dbraw/zinc/58/43/74/358584374.db2.gz IMLSAQGASSLUDL-UHFFFAOYSA-N 1 0 309.435 2.181 10 30 DEEERO C=CC[C@]1(C(=O)Nc2cc(C(=O)OC)sc2C)CCC[NH2+]1 ZINC000598666747 359281731 /nfs/dbraw/zinc/28/17/31/359281731.db2.gz ONXQBRZTJSEEQI-OAHLLOKOSA-N 1 0 308.403 2.480 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599526900 359517431 /nfs/dbraw/zinc/51/74/31/359517431.db2.gz WCKUOJREAVGBOZ-ZDUSSCGKSA-N 1 0 315.373 2.382 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000599935899 359622322 /nfs/dbraw/zinc/62/23/22/359622322.db2.gz RNONTTIHULIFMU-DLBZAZTESA-N 1 0 312.417 2.396 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000600153461 359667474 /nfs/dbraw/zinc/66/74/74/359667474.db2.gz MGMYAIFAZRWXRH-XJKSGUPXSA-N 1 0 304.390 2.329 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000601270200 359988025 /nfs/dbraw/zinc/98/80/25/359988025.db2.gz LYQNAXRZUNTLSN-OAHLLOKOSA-N 1 0 303.406 2.145 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628125654 366729876 /nfs/dbraw/zinc/72/98/76/366729876.db2.gz ITUFNSRMAUWHRF-QGZVFWFLSA-N 1 0 315.461 2.018 10 30 DEEERO N#Cc1ccc(CNC(=O)N2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000609602719 361326343 /nfs/dbraw/zinc/32/63/43/361326343.db2.gz UTYVHNLNPSTWHG-UHFFFAOYSA-N 1 0 316.380 2.077 10 30 DEEERO C=CC(C)(C)CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000628316276 366807501 /nfs/dbraw/zinc/80/75/01/366807501.db2.gz PLAIPIACQGJGNN-LJQANCHMSA-N 1 0 316.445 2.342 10 30 DEEERO C=CCOCC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611559926 361631210 /nfs/dbraw/zinc/63/12/10/361631210.db2.gz OSMCTYAGRHRDMT-LBPRGKRZSA-N 1 0 307.350 2.104 10 30 DEEERO C=C[C@H](O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968691 367030176 /nfs/dbraw/zinc/03/01/76/367030176.db2.gz JBWSWKSAYNXKEL-STQMWFEESA-N 1 0 317.216 2.259 10 30 DEEERO C=CC[C@@H](C(=O)N1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000275300113 212258898 /nfs/dbraw/zinc/25/88/98/212258898.db2.gz HYEMEOQXMZLHKY-GOSISDBHSA-N 1 0 316.445 2.261 10 30 DEEERO C=CCN1CC[C@@H]([N@H+](C)CCCC(=O)c2ccccc2)C1=O ZINC000450901146 242369568 /nfs/dbraw/zinc/36/95/68/242369568.db2.gz HHIVNFXYUDHTIZ-MRXNPFEDSA-N 1 0 300.402 2.368 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(C[C@H](c2ccco2)[NH+]2CCCC2)C1=O ZINC000630964187 367939138 /nfs/dbraw/zinc/93/91/38/367939138.db2.gz FSUMMVILMUAIHP-UONOGXRCSA-N 1 0 317.389 2.303 10 30 DEEERO [NH3+]CC#Cc1cnc(NC(=O)[C@@H]2CSc3ccccc32)s1 ZINC000092239870 193178557 /nfs/dbraw/zinc/17/85/57/193178557.db2.gz CWPJWBHRWZHKNZ-GFCCVEGCSA-N 1 0 315.423 2.281 10 30 DEEERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc(C#N)n1C)c1ccco1 ZINC000451676337 243295199 /nfs/dbraw/zinc/29/51/99/243295199.db2.gz SHLLHMGWIZKOAS-OCCSQVGLSA-N 1 0 314.389 2.349 10 30 DEEERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CCO[C@H](C#N)C1 ZINC000093930920 193329219 /nfs/dbraw/zinc/32/92/19/193329219.db2.gz TWXPLEMCWYASRT-WDMOLILDSA-N 1 0 324.222 2.062 10 30 DEEERO Cc1noc(C)c1[C@H](C)NC(=O)c1csc(C#CC[NH3+])c1 ZINC000093976697 193333631 /nfs/dbraw/zinc/33/36/31/193333631.db2.gz UFWSRMZIMMXWRW-VIFPVBQESA-N 1 0 303.387 2.154 10 30 DEEERO Cc1cc(C(=O)N[C@@H](C)c2nccs2)sc1C#CC[NH3+] ZINC000094536897 193378681 /nfs/dbraw/zinc/37/86/81/193378681.db2.gz NLAHVXVGBSAFCV-JTQLQIEISA-N 1 0 305.428 2.314 10 30 DEEERO C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(C#N)cc1F ZINC000453265744 245032327 /nfs/dbraw/zinc/03/23/27/245032327.db2.gz NVZIZZPSKTZRDP-DZGCQCFKSA-N 1 0 305.397 2.195 10 30 DEEERO C=CCNC(=O)c1ccc(NCC[N@H+]2CCCC[C@@H]2C)nc1 ZINC000264861905 204218505 /nfs/dbraw/zinc/21/85/05/204218505.db2.gz MGJJKNJKLBRCJX-AWEZNQCLSA-N 1 0 302.422 2.284 10 30 DEEERO C=C(Br)COc1cc2c(cc1C[NH2+]C)OCO2 ZINC000042874166 183316260 /nfs/dbraw/zinc/31/62/60/183316260.db2.gz YQQQRMKXDDMKAU-UHFFFAOYSA-N 1 0 300.152 2.422 10 30 DEEERO Cc1cc(C#N)ccc1-c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000274007443 211266631 /nfs/dbraw/zinc/26/66/31/211266631.db2.gz MTINEWOPPPZOBI-ZFWWWQNUSA-N 1 0 310.357 2.452 10 30 DEEERO CO[C@H]1C[C@@H](CN(C)c2ncc(Cl)c(C)c2C#N)[N@H+](C)C1 ZINC000284455174 218034183 /nfs/dbraw/zinc/03/41/83/218034183.db2.gz DFATZKZFDISHJW-RYUDHWBXSA-N 1 0 308.813 2.070 10 30 DEEERO C[C@H](NS(=O)(=O)c1cccc(C#CC[NH3+])c1)c1ccsc1 ZINC000061372085 184169372 /nfs/dbraw/zinc/16/93/72/184169372.db2.gz QNMIDMSZUXETTP-LBPRGKRZSA-N 1 0 320.439 2.098 10 30 DEEERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)n1cnc(C#N)n1 ZINC000061841947 184189760 /nfs/dbraw/zinc/18/97/60/184189760.db2.gz WOUOFSZCDXHLTM-AAEUAGOBSA-N 1 0 320.194 2.239 10 30 DEEERO C[C@@]1(C(=O)Nc2ccc(C#N)cc2Br)CC[NH2+]C1 ZINC000062893050 184258361 /nfs/dbraw/zinc/25/83/61/184258361.db2.gz ZMJIPWFJDGYWAG-CYBMUJFWSA-N 1 0 308.179 2.259 10 30 DEEERO Cc1c(C#CC[NH3+])cccc1C(=O)N1CCSC(C)(C)C1 ZINC000159027976 197320081 /nfs/dbraw/zinc/32/00/81/197320081.db2.gz RSSHTCULLOYTET-UHFFFAOYSA-N 1 0 302.443 2.273 10 30 DEEERO CC[C@H]1C[N@H+](Cc2cc(C#CCO)ccc2OC)CCS1 ZINC000158030074 197237357 /nfs/dbraw/zinc/23/73/57/197237357.db2.gz BCKCITPOOOUJHN-INIZCTEOSA-N 1 0 305.443 2.366 10 30 DEEERO CC[C@H]1CN(C(=O)c2ccc(C#CC[NH3+])cc2F)CCS1 ZINC000157977036 197232044 /nfs/dbraw/zinc/23/20/44/197232044.db2.gz CLKQIHQJENIGGR-ZDUSSCGKSA-N 1 0 306.406 2.104 10 30 DEEERO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000155555384 197066741 /nfs/dbraw/zinc/06/67/41/197066741.db2.gz FBJOQDZFKDGSTI-WBVHZDCISA-N 1 0 313.401 2.388 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000247372672 145135473 /nfs/dbraw/zinc/13/54/73/145135473.db2.gz SCOKAHHYALJAND-FZMZJTMJSA-N 1 0 302.353 2.398 10 30 DEEERO Cc1cc(S(=O)(=O)NCC2([NH3+])CCCCCC2)ccc1C#N ZINC000262573374 145294320 /nfs/dbraw/zinc/29/43/20/145294320.db2.gz XRQJZDDGJIKWMV-UHFFFAOYSA-N 1 0 321.446 2.197 10 30 DEEERO Cc1oc(NC(=O)[C@@H](C)N2CCC([NH+](C)C)CC2)c(C#N)c1C ZINC000127845165 401752202 /nfs/dbraw/zinc/75/22/02/401752202.db2.gz BQBMFBVSAZXJDA-GFCCVEGCSA-N 1 0 318.421 2.121 10 30 DEEERO C=CCc1cc(C[NH2+]CCc2cnn(C)c2)cc(OC)c1O ZINC000113325388 401776061 /nfs/dbraw/zinc/77/60/61/401776061.db2.gz QBNSRRJNXFUNFG-UHFFFAOYSA-N 1 0 301.390 2.195 10 30 DEEERO C#CCOc1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000113320128 401776330 /nfs/dbraw/zinc/77/63/30/401776330.db2.gz HQUYTKPMOVNXKO-UHFFFAOYSA-N 1 0 314.429 2.435 10 30 DEEERO C=CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000113575715 401782627 /nfs/dbraw/zinc/78/26/27/401782627.db2.gz QSQAHMQCOVEQNR-HNNXBMFYSA-N 1 0 317.433 2.372 10 30 DEEERO Cn1cc([C@H]2CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)cn1 ZINC000116311339 401848408 /nfs/dbraw/zinc/84/84/08/401848408.db2.gz LXFZATLQHULHFL-HNNXBMFYSA-N 1 0 323.400 2.110 10 30 DEEERO CCC[NH+]1CCC(CNC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000118894202 401914157 /nfs/dbraw/zinc/91/41/57/401914157.db2.gz YEVDMXKPNJJTAI-UHFFFAOYSA-N 1 0 318.425 2.040 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000051952830 402037794 /nfs/dbraw/zinc/03/77/94/402037794.db2.gz BVBPAVOXHZATCZ-INIZCTEOSA-N 1 0 307.482 2.360 10 30 DEEERO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC(=O)N(C)C2)c(O)c1 ZINC000150938852 402006153 /nfs/dbraw/zinc/00/61/53/402006153.db2.gz CJNCFEZDUUXKJK-XWAFYUISSA-N 1 0 303.406 2.278 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[N@@H+](C)C(C)C ZINC000063340766 402112433 /nfs/dbraw/zinc/11/24/33/402112433.db2.gz MAUYLFUOXUEVBO-UHFFFAOYSA-N 1 0 305.378 2.450 10 30 DEEERO CC(=O)Nc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000123212796 402116544 /nfs/dbraw/zinc/11/65/44/402116544.db2.gz BNKOIELXTZRDJC-UHFFFAOYSA-N 1 0 319.368 2.454 10 30 DEEERO CN(CC[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000123239375 402117530 /nfs/dbraw/zinc/11/75/30/402117530.db2.gz OPLMCWWUCXZNBP-UHFFFAOYSA-N 1 0 305.385 2.432 10 30 DEEERO CSCCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930025 402128207 /nfs/dbraw/zinc/12/82/07/402128207.db2.gz QBFKCFNVCQMGEW-UHFFFAOYSA-N 1 0 305.447 2.202 10 30 DEEERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000069873785 402248443 /nfs/dbraw/zinc/24/84/43/402248443.db2.gz PLKJIRWALHKTAC-OAHLLOKOSA-N 1 0 316.424 2.304 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C#N)cn1C)C(C)C ZINC000176070600 402275553 /nfs/dbraw/zinc/27/55/53/402275553.db2.gz RURXFIIUANZRDD-QGZVFWFLSA-N 1 0 314.433 2.325 10 30 DEEERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(C#N)s1)CC2 ZINC000176965102 402354799 /nfs/dbraw/zinc/35/47/99/402354799.db2.gz UNXVJWKINJZWBU-NSHDSACASA-N 1 0 301.419 2.439 10 30 DEEERO CC(C)C[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000187296873 402492747 /nfs/dbraw/zinc/49/27/47/402492747.db2.gz KYCVLLMKCSEBMC-UHFFFAOYSA-N 1 0 311.429 2.390 10 30 DEEERO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171619340 402602258 /nfs/dbraw/zinc/60/22/58/402602258.db2.gz AOHIOUFNFVMZSA-INIZCTEOSA-N 1 0 311.389 2.256 10 30 DEEERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC[C@H]1C ZINC000252039949 402652672 /nfs/dbraw/zinc/65/26/72/402652672.db2.gz ZHXQHWRHHVLJIY-QLFBSQMISA-N 1 0 307.438 2.074 10 30 DEEERO C[NH+](C)Cc1cccc(C(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000174195053 402731363 /nfs/dbraw/zinc/73/13/63/402731363.db2.gz SBHGGMDGGIVFKE-UHFFFAOYSA-N 1 0 323.396 2.429 10 30 DEEERO C=CC[C@H](CO)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000273479885 403008468 /nfs/dbraw/zinc/00/84/68/403008468.db2.gz LQJUVEXHTRRQSR-QGZVFWFLSA-N 1 0 302.418 2.339 10 30 DEEERO C=CCc1cc(C[N@H+]2CC[C@@H](C(=O)OC)C2)cc(OC)c1O ZINC000271103627 403264513 /nfs/dbraw/zinc/26/45/13/403264513.db2.gz QQNKYENBULUOBY-CQSZACIVSA-N 1 0 305.374 2.124 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289498251 403981932 /nfs/dbraw/zinc/98/19/32/403981932.db2.gz LRJTXUGWICQDBH-LLVKDONJSA-N 1 0 310.195 2.123 10 30 DEEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@H](C2CC2)[NH+](C)C)cn1 ZINC000328638400 404122744 /nfs/dbraw/zinc/12/27/44/404122744.db2.gz WIIIPCUYOLHHCH-ARFHVFGLSA-N 1 0 320.437 2.277 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1 ZINC000344546132 404218497 /nfs/dbraw/zinc/21/84/97/404218497.db2.gz KNGHKQZETCFUJJ-YSVLISHTSA-N 1 0 300.402 2.350 10 30 DEEERO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000329213943 404267941 /nfs/dbraw/zinc/26/79/41/404267941.db2.gz KIMJMVDXPFAFSN-SQWLQELKSA-N 1 0 320.437 2.329 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364056438 404301644 /nfs/dbraw/zinc/30/16/44/404301644.db2.gz NFGTYKIEJKPFOS-NVXWUHKLSA-N 1 0 307.482 2.216 10 30 DEEERO CN(CC1CC[NH+](C)CC1)c1ncc(Br)cc1C#N ZINC000296929078 404377268 /nfs/dbraw/zinc/37/72/68/404377268.db2.gz BDLHODWHBFTUFB-UHFFFAOYSA-N 1 0 323.238 2.494 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000297705506 404597685 /nfs/dbraw/zinc/59/76/85/404597685.db2.gz RPGQNFUHYWXXSL-ZWKOTPCHSA-N 1 0 311.429 2.294 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000297705502 404598006 /nfs/dbraw/zinc/59/80/06/404598006.db2.gz RPGQNFUHYWXXSL-QZTJIDSGSA-N 1 0 311.429 2.294 10 30 DEEERO C=CCCC[C@H](C)NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359454221 404793478 /nfs/dbraw/zinc/79/34/78/404793478.db2.gz IIVKRZHRMPXOQG-FHERZECASA-N 1 0 323.481 2.084 10 30 DEEERO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CC12COC2 ZINC000451136740 404876686 /nfs/dbraw/zinc/87/66/86/404876686.db2.gz NVNJBCPJRAINAE-XJKSGUPXSA-N 1 0 314.385 2.131 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000424176233 405031007 /nfs/dbraw/zinc/03/10/07/405031007.db2.gz RDJBDKDGBWNXRH-JSGCOSHPSA-N 1 0 309.435 2.197 10 30 DEEERO C=C[C@H](CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)c1ccccc1 ZINC000416302663 405094128 /nfs/dbraw/zinc/09/41/28/405094128.db2.gz GHGZLLNPWJNNAK-IXDOHACOSA-N 1 0 316.445 2.260 10 30 DEEERO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000408043070 405096628 /nfs/dbraw/zinc/09/66/28/405096628.db2.gz JIPOBLXEXQVSAH-NUJGCVRESA-N 1 0 318.392 2.449 10 30 DEEERO C=C(C)COCCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416174956 405045457 /nfs/dbraw/zinc/04/54/57/405045457.db2.gz HJXGGMQTRJQMTA-UHFFFAOYSA-N 1 0 302.418 2.144 10 30 DEEERO C=CCC1(C(=O)N2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000424570352 405119346 /nfs/dbraw/zinc/11/93/46/405119346.db2.gz MJNJXHIWERBRSN-UHFFFAOYSA-N 1 0 306.450 2.446 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000437766015 405219301 /nfs/dbraw/zinc/21/93/01/405219301.db2.gz UNMBWYPYTDJSCA-IRXDYDNUSA-N 1 0 323.481 2.389 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000425429483 405289608 /nfs/dbraw/zinc/28/96/08/405289608.db2.gz ZJOYPDVMYCOXCI-IRXDYDNUSA-N 1 0 323.481 2.389 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000425847397 405324017 /nfs/dbraw/zinc/32/40/17/405324017.db2.gz CQRHTTVOHQIDGW-RDJZCZTQSA-N 1 0 321.465 2.237 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000425450511 405293007 /nfs/dbraw/zinc/29/30/07/405293007.db2.gz KRKABLPSBOXPLA-JYJNAYRXSA-N 1 0 309.454 2.141 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000420781280 405382663 /nfs/dbraw/zinc/38/26/63/405382663.db2.gz AWZQFLYQLMEFGD-CVEARBPZSA-N 1 0 309.454 2.284 10 30 DEEERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)n2C)C1 ZINC000448774991 405446852 /nfs/dbraw/zinc/44/68/52/405446852.db2.gz PAVWCNDYASCDMK-ZBFHGGJFSA-N 1 0 322.412 2.462 10 30 DEEERO C=CC(C)(C)CCNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638455540 405480619 /nfs/dbraw/zinc/48/06/19/405480619.db2.gz XDCCHFXIAVPEBO-INIZCTEOSA-N 1 0 303.450 2.164 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCCN1CCO ZINC000449398348 405546348 /nfs/dbraw/zinc/54/63/48/405546348.db2.gz XYEKZGQKWCABQM-QGZVFWFLSA-N 1 0 304.434 2.188 10 30 DEEERO C=C(CC)CNC(=O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000456809751 405576713 /nfs/dbraw/zinc/57/67/13/405576713.db2.gz CFILMMQJFQEMFA-UHFFFAOYSA-N 1 0 318.417 2.144 10 30 DEEERO C=CCc1cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)cc(OC)c1O ZINC000449677743 405686287 /nfs/dbraw/zinc/68/62/87/405686287.db2.gz NVGMTHKQOCLPCY-BBRMVZONSA-N 1 0 321.417 2.101 10 30 DEEERO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)cc2OC)C1=O ZINC000528668192 405705195 /nfs/dbraw/zinc/70/51/95/405705195.db2.gz DYTMHIGUOFSMLE-SWLSCSKDSA-N 1 0 304.390 2.141 10 30 DEEERO C=CCC1(CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CCCC1 ZINC000459109942 405752246 /nfs/dbraw/zinc/75/22/46/405752246.db2.gz RUQBIYOWRFPSLB-INIZCTEOSA-N 1 0 323.481 2.269 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000450324055 405835712 /nfs/dbraw/zinc/83/57/12/405835712.db2.gz MCZYMMLFWOMXKU-UHFFFAOYSA-N 1 0 302.422 2.091 10 30 DEEERO C=C(C)CS(=O)(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000632641575 406210411 /nfs/dbraw/zinc/21/04/11/406210411.db2.gz MFWLIBZHPCZDMN-UHFFFAOYSA-N 1 0 300.468 2.233 10 30 DEEERO C=C[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000489470031 406410407 /nfs/dbraw/zinc/41/04/07/406410407.db2.gz FNQUAJBWYOBIDG-KBPBESRZSA-N 1 0 305.374 2.196 10 30 DEEERO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000571283716 406501947 /nfs/dbraw/zinc/50/19/47/406501947.db2.gz YRODSUMIDRFAMR-MJBXVCDLSA-N 1 0 309.431 2.412 10 30 DEEERO C=C[C@H](C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635676817 406671670 /nfs/dbraw/zinc/67/16/70/406671670.db2.gz YMIFFSMHTAGGRM-WDYCEAGBSA-N 1 0 314.429 2.216 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000527730922 406732832 /nfs/dbraw/zinc/73/28/32/406732832.db2.gz RZWSCGIZKSFGRK-NYTXWWLZSA-N 1 0 309.454 2.138 10 30 DEEERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(Br)cc1C#N ZINC000132447153 196257063 /nfs/dbraw/zinc/25/70/63/196257063.db2.gz BQTQZFNVCFRJNY-LDYMZIIASA-N 1 0 308.179 2.115 10 30 DEEERO [NH2+]=C(NCc1csc(-c2ccccc2)n1)NC[C@@H]1CCCO1 ZINC000195522811 225207114 /nfs/dbraw/zinc/20/71/14/225207114.db2.gz SFCSDPZIJAUKIF-AWEZNQCLSA-N 1 0 316.430 2.393 10 30 DEEERO [NH2+]=C(NCCc1cccs1)N[C@H]1COc2ccc(F)cc21 ZINC000262390584 225270360 /nfs/dbraw/zinc/27/03/60/225270360.db2.gz MBMNTCWMXRPGPX-ZDUSSCGKSA-N 1 0 305.378 2.468 10 30 DEEERO Cc1c(CNC(=[NH2+])N2CCO[C@H](C)C2)oc2ccc(F)cc12 ZINC000262471634 225273707 /nfs/dbraw/zinc/27/37/07/225273707.db2.gz PCVRSDALUKWECC-SNVBAGLBSA-N 1 0 305.353 2.416 10 30 DEEERO CN(C)C(NCc1ccccc1)=[NH+]CC1(CF)CCOCC1 ZINC000263188925 225294341 /nfs/dbraw/zinc/29/43/41/225294341.db2.gz VGUMVYBCMCPPLM-UHFFFAOYSA-N 1 0 307.413 2.460 10 30 DEEERO CCn1cc(C[N@@H+]2CCCN(c3ccc(C)c(C#N)n3)CC2)cn1 ZINC000302690520 230353010 /nfs/dbraw/zinc/35/30/10/230353010.db2.gz ZIGNAPZRMCPCLG-UHFFFAOYSA-N 1 0 324.432 2.190 10 30 DEEERO C=C(C)COc1cc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)ccc1OC ZINC000527759289 424835224 /nfs/dbraw/zinc/83/52/24/424835224.db2.gz SHUXPKLBSBOLTJ-HOTGVXAUSA-N 1 0 321.417 2.280 10 30 DEEERO Cc1cc(C#N)nc(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000557630312 424885121 /nfs/dbraw/zinc/88/51/21/424885121.db2.gz JSAVHURQWUITPY-OAHLLOKOSA-N 1 0 315.808 3.025 10 30 DEEERO C[NH+]=C(NCc1ccco1)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261978901 275408663 /nfs/dbraw/zinc/40/86/63/275408663.db2.gz OKAAFFDBEPNKMU-CQSZACIVSA-N 1 0 315.421 2.280 10 30 DEEERO C=CCC1(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CCOCC1 ZINC000424839323 277825171 /nfs/dbraw/zinc/82/51/71/277825171.db2.gz PEBNHLGCMWPSPG-HZPDHXFCSA-N 1 0 306.450 2.445 10 30 DEEERO N#Cc1cnccc1NCC1([NH+]2CCSCC2)CCCC1 ZINC000364315800 303178879 /nfs/dbraw/zinc/17/88/79/303178879.db2.gz QXDKAGUDWRDDJS-UHFFFAOYSA-N 1 0 302.447 2.149 10 30 DEEERO C=CCCCCCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000517757181 331696887 /nfs/dbraw/zinc/69/68/87/331696887.db2.gz OAQXSSAQSRTNES-CVEARBPZSA-N 1 0 309.454 2.271 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000185349940 337204420 /nfs/dbraw/zinc/20/44/20/337204420.db2.gz GVFUVVYNAJBPCM-HNNXBMFYSA-N 1 0 307.482 2.264 10 30 DEEERO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(S(N)(=O)=O)cc1 ZINC000229676681 340614742 /nfs/dbraw/zinc/61/47/42/340614742.db2.gz KZNNFTXIHAFQBE-LBPRGKRZSA-N 1 0 309.435 2.315 10 30 DEEERO COc1ccc(NC(=[NH2+])NCCn2cc(C)cn2)cc1Cl ZINC000262542813 533989850 /nfs/dbraw/zinc/98/98/50/533989850.db2.gz SRLVCPOOQCTNHV-UHFFFAOYSA-N 1 0 307.785 2.280 10 30 DEEERO C[NH+]=C(NC1CCC1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000261663349 526344838 /nfs/dbraw/zinc/34/48/38/526344838.db2.gz GDPQBYHXZVOWJR-MRXNPFEDSA-N 1 0 309.454 2.164 10 30 DEEERO C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)NC1CCCCC1 ZINC000262571687 526350445 /nfs/dbraw/zinc/35/04/45/526350445.db2.gz ZEANZZFODWRZEE-UHFFFAOYSA-N 1 0 308.470 2.133 10 30 DEEERO C[NH+]=C(NCCC1CCCCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261866026 526354286 /nfs/dbraw/zinc/35/42/86/526354286.db2.gz ZZEFURGKDHHEIP-GOSISDBHSA-N 1 0 320.481 2.134 10 30 DEEERO C[NH+]=C(NCCC1CC1)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261956615 526354616 /nfs/dbraw/zinc/35/46/16/526354616.db2.gz IXJDNSACQSEJBF-OAHLLOKOSA-N 1 0 303.454 2.286 10 30 DEEERO C[NH+]=C(NC[C@@H](O)c1cccc(Cl)c1)N(C)Cc1ccc[nH]1 ZINC000262773579 526369218 /nfs/dbraw/zinc/36/92/18/526369218.db2.gz IJSJBZKBDKBLLS-OAHLLOKOSA-N 1 0 320.824 2.409 10 30 DEEERO C[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261974540 526375050 /nfs/dbraw/zinc/37/50/50/526375050.db2.gz NMVYGICNBHHIOL-AEGPPILISA-N 1 0 303.454 2.142 10 30 DEEERO C[NH+]=C(NCc1ccnc(C)n1)N(C)Cc1ccc(F)cc1 ZINC000073782427 526386277 /nfs/dbraw/zinc/38/62/77/526386277.db2.gz SOXJAXFCAPQPJF-UHFFFAOYSA-N 1 0 301.369 2.132 10 30 DEEERO C[NH+]=C(NCc1ccn(C2CCCC2)n1)N(C)Cc1ccon1 ZINC000261779527 526386777 /nfs/dbraw/zinc/38/67/77/526386777.db2.gz PDABQLARBXWNLI-UHFFFAOYSA-N 1 0 316.409 2.194 10 30 DEEERO C[NH+]=C(NCc1nccn1CC(F)(F)F)NC1CCCCC1 ZINC000263274851 526391687 /nfs/dbraw/zinc/39/16/87/526391687.db2.gz YBWPVMGJSNGCJC-UHFFFAOYSA-N 1 0 317.359 2.443 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)C1=O ZINC000337175032 526514728 /nfs/dbraw/zinc/51/47/28/526514728.db2.gz HSIVWQIRXCKWGO-ULQDDVLXSA-N 1 0 300.402 2.141 10 30 DEEERO C=CCOCC[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000339137178 526769544 /nfs/dbraw/zinc/76/95/44/526769544.db2.gz AABAMQBECLKROC-FUHWJXTLSA-N 1 0 305.418 2.231 10 30 DEEERO C=CCOCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000378554850 526775699 /nfs/dbraw/zinc/77/56/99/526775699.db2.gz CDEBYKTXUJVHEZ-SJORKVTESA-N 1 0 323.481 2.485 10 30 DEEERO C#CCOc1ccccc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000360052360 527129273 /nfs/dbraw/zinc/12/92/73/527129273.db2.gz BBGRCFUGXBHJLX-WMZOPIPTSA-N 1 0 301.386 2.126 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000424470926 527494136 /nfs/dbraw/zinc/49/41/36/527494136.db2.gz RSNPYPHVTWXGQL-IRXDYDNUSA-N 1 0 317.433 2.138 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000195500484 527608443 /nfs/dbraw/zinc/60/84/43/527608443.db2.gz WOJXSMSDQUWYTE-UHFFFAOYSA-N 1 0 316.449 2.283 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374209195 527632170 /nfs/dbraw/zinc/63/21/70/527632170.db2.gz ARGOPGBDTUBWER-AWEZNQCLSA-N 1 0 302.422 2.178 10 30 DEEERO CC1(C)[C@H](NC(=[NH2+])NCCc2cccs2)[C@@H]2CCCO[C@@H]21 ZINC000262532228 527850423 /nfs/dbraw/zinc/85/04/23/527850423.db2.gz NXMOZXLYAHDCIR-MJBXVCDLSA-N 1 0 307.463 2.399 10 30 DEEERO CC[NH+]=C(NCCC1=CCCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261686410 528804656 /nfs/dbraw/zinc/80/46/56/528804656.db2.gz DQTSHEMKYBSAJI-GOSISDBHSA-N 1 0 318.465 2.054 10 30 DEEERO C#CC[N@@H+](CCCCS(C)(=O)=O)[C@@H]1CCc2ccccc21 ZINC000161460687 625084587 /nfs/dbraw/zinc/08/45/87/625084587.db2.gz DCSOSOFTIWFUHK-QGZVFWFLSA-N 1 0 305.443 2.434 10 30 DEEERO C=CCn1c(C)nn(CN(C)C[C@H]2CCC[N@H+]2CC)c1=S ZINC000177158323 625864516 /nfs/dbraw/zinc/86/45/16/625864516.db2.gz UQSMYRBEYSOMDP-CQSZACIVSA-N 1 0 309.483 2.282 10 30 DEEERO C[C@H](C#N)OCC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000801937158 645464870 /nfs/dbraw/zinc/46/48/70/645464870.db2.gz FQLJVGJWFSHOGB-ZIAGYGMSSA-N 1 0 301.390 2.393 10 30 DEEERO Cc1cc(C#N)nc(N(CCc2ccccc2)CC[NH+](C)C)n1 ZINC000804537998 645787654 /nfs/dbraw/zinc/78/76/54/645787654.db2.gz JAFCGBKARKYFMF-UHFFFAOYSA-N 1 0 309.417 2.267 10 30 DEEERO [NH2+]=C(NCc1ccccc1OC1CCC1)NC[C@@H]1CCCO1 ZINC000172487773 646738684 /nfs/dbraw/zinc/73/86/84/646738684.db2.gz UHIVJLRWEUZZNA-HNNXBMFYSA-N 1 0 303.406 2.201 10 30 DEEERO Cc1ccc(C#N)c(NCc2cc(O[C@H]3CC[NH2+]C3)ccn2)n1 ZINC000818627180 647491680 /nfs/dbraw/zinc/49/16/80/647491680.db2.gz PNBKQCMPGOLODZ-INIZCTEOSA-N 1 0 309.373 2.010 10 30 DEEERO C=C(Br)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106460676 651346281 /nfs/dbraw/zinc/34/62/81/651346281.db2.gz ISFQSZJXDKLORY-ZDUSSCGKSA-N 1 0 311.223 2.184 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000119426471 684081673 /nfs/dbraw/zinc/08/16/73/684081673.db2.gz LESREXGOCQMQDX-ZDUSSCGKSA-N 1 0 304.346 2.485 10 30 DEEERO C=CCn1c(=S)n(CN2CC[N@@H+]3CCC[C@H]3C2)nc1C1CC1 ZINC000246985570 685140059 /nfs/dbraw/zinc/14/00/59/685140059.db2.gz HMLGAYAEDZXTGU-AWEZNQCLSA-N 1 0 319.478 2.215 10 30 DEEERO COc1ccccc1CCNC(=[NH2+])NCCc1cccs1 ZINC000303782697 685234089 /nfs/dbraw/zinc/23/40/89/685234089.db2.gz NLPNVLWURRQWQI-UHFFFAOYSA-N 1 0 303.431 2.446 10 30 DEEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)CC(=O)N(C)C ZINC000249703770 717165017 /nfs/dbraw/zinc/16/50/17/717165017.db2.gz KWHCPBNXSSMHPG-HXUWFJFHSA-N 1 0 318.397 2.342 10 30 DEEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713864415 792263208 /nfs/dbraw/zinc/26/32/08/792263208.db2.gz ANXLDTCPHXEUFD-MNOVXSKESA-N 1 0 314.838 2.280 10 30 DEEERO C#CC[C@@H](COC)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000716858110 793003918 /nfs/dbraw/zinc/00/39/18/793003918.db2.gz XGOIFAVICIYRBT-CABCVRRESA-N 1 0 310.438 2.404 10 30 DEEERO C[C@](O)(C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000123773828 799145654 /nfs/dbraw/zinc/14/56/54/799145654.db2.gz JZSOAKPPGXMGPD-SFHVURJKSA-N 1 0 306.369 2.203 10 30 DEEERO C#CCN(CCC)S(=O)(=O)c1cc(C[NH2+]C)c(C)cc1C ZINC000162161455 197549098 /nfs/dbraw/zinc/54/90/98/197549098.db2.gz QXPGYAKLYPLSNH-UHFFFAOYSA-N 1 0 308.447 2.057 10 30 DEEERO CN(Cc1cc[nH]n1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000329054956 529981166 /nfs/dbraw/zinc/98/11/66/529981166.db2.gz XNWFVCSCUNUNKK-UHFFFAOYSA-N 1 0 319.453 2.410 10 30 DEEERO Cc1sc(NC(=O)CCOC2CC[NH2+]CC2)c(C#N)c1C ZINC000111802113 185638718 /nfs/dbraw/zinc/63/87/18/185638718.db2.gz PSZFERPEOCSZQN-UHFFFAOYSA-N 1 0 307.419 2.334 10 30 DEEERO C[C@H]1CCC[C@H](C[NH3+])N1CCC(=O)Nc1sccc1C#N ZINC000070156706 190864446 /nfs/dbraw/zinc/86/44/46/190864446.db2.gz WNTUUABIQQJWPR-WCQYABFASA-N 1 0 306.435 2.150 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000184281053 539667796 /nfs/dbraw/zinc/66/77/96/539667796.db2.gz ITKZAMTZMCTTRZ-SNVBAGLBSA-N 1 0 314.179 2.204 10 30 DEEERO CC[NH+](CC)CCN1C(=O)c2cc(OC)cc(OC)c2C1C#N ZINC000071680713 191007058 /nfs/dbraw/zinc/00/70/58/191007058.db2.gz LPFLMTQGEYWRIF-AWEZNQCLSA-N 1 0 317.389 2.066 10 30 DEEERO C[C@H]1SCCN(C(=O)c2cc(F)ccc2C#CC[NH3+])[C@@H]1C ZINC000133670804 186005531 /nfs/dbraw/zinc/00/55/31/186005531.db2.gz FCMOMANYTQOKEQ-VXGBXAGGSA-N 1 0 306.406 2.102 10 30 DEEERO C#CCOc1ccc(Br)cc1C[NH2+]C1(CO)CC1 ZINC000142985642 186033343 /nfs/dbraw/zinc/03/33/43/186033343.db2.gz ONHWABXYNPYTAQ-UHFFFAOYSA-N 1 0 310.191 2.076 10 30 DEEERO Cc1ccc(C(=O)NCc2sccc2C#CC[NH3+])c(O)c1 ZINC000148661888 186045753 /nfs/dbraw/zinc/04/57/53/186045753.db2.gz TXOHTYBORQHNCH-UHFFFAOYSA-N 1 0 300.383 2.002 10 30 DEEERO C=CCN1CC[C@H]([N@@H+]2CC[C@H](c3ccc(OC)c(F)c3)C2)C1=O ZINC000626126356 366063190 /nfs/dbraw/zinc/06/31/90/366063190.db2.gz MTIAXLVRNAELCC-HOCLYGCPSA-N 1 0 318.392 2.411 10 30 DEEERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)NC(=O)NC2CC2)C1 ZINC000328739187 539909938 /nfs/dbraw/zinc/90/99/38/539909938.db2.gz MOAUSISBSMZMKU-UNQGMJICSA-N 1 0 323.437 2.281 10 30 DEEERO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)cc1 ZINC000329854901 539931088 /nfs/dbraw/zinc/93/10/88/539931088.db2.gz SYWUOHAQKNAFTB-GVDBMIGSSA-N 1 0 318.417 2.256 10 30 DEEERO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc3c(c2)COC3)CC1 ZINC000329677231 539926489 /nfs/dbraw/zinc/92/64/89/539926489.db2.gz WPMLDUPQPAXLLC-KRWDZBQOSA-N 1 0 318.417 2.114 10 30 DEEERO CC(=O)c1ccc(NC(=O)C[n+]2cc3ccccc3cn2)cc1 ZINC000048544834 354353694 /nfs/dbraw/zinc/35/36/94/354353694.db2.gz NWUBHUOMHQLKEO-UHFFFAOYSA-O 1 0 306.345 2.364 10 30 DEEERO C[N@@H+]1CCO[C@H]2CCN(c3c(C#N)cnc4ccccc43)C[C@H]21 ZINC000285214894 283030758 /nfs/dbraw/zinc/03/07/58/283030758.db2.gz XHNMZSDUCAAMCJ-SJORKVTESA-N 1 0 308.385 2.016 10 30 DEEERO C[C@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000188300287 291069965 /nfs/dbraw/zinc/06/99/65/291069965.db2.gz RAYLKAJVWIJTLF-XJKSGUPXSA-N 1 0 309.413 2.331 10 30 DEEERO N#Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c[nH]1 ZINC000181167306 356073618 /nfs/dbraw/zinc/07/36/18/356073618.db2.gz YHCHFFPBZRKZAU-UHFFFAOYSA-N 1 0 308.385 2.412 10 30 DEEERO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000183488737 356173968 /nfs/dbraw/zinc/17/39/68/356173968.db2.gz NHPPIUXKRIRIJH-OAHLLOKOSA-N 1 0 315.417 2.105 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000579492003 356985112 /nfs/dbraw/zinc/98/51/12/356985112.db2.gz SOWQHQWSQVYWMG-CQSZACIVSA-N 1 0 317.389 2.451 10 30 DEEERO C=CCN(CC=C)S(=O)(=O)Cc1ccc(C[NH2+]CC)cc1 ZINC000088904380 192649697 /nfs/dbraw/zinc/64/96/97/192649697.db2.gz FAEYRGMNNAQKCD-UHFFFAOYSA-N 1 0 308.447 2.300 10 30 DEEERO C=C(C)[C@@H](CO)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000586783655 357369225 /nfs/dbraw/zinc/36/92/25/357369225.db2.gz OTDBZIYHVKJQEQ-MRXNPFEDSA-N 1 0 304.365 2.478 10 30 DEEERO C=CCCn1cc(C[NH2+][C@H]2CCCCC[C@H]2C(=O)OC)nn1 ZINC000594003123 358187340 /nfs/dbraw/zinc/18/73/40/358187340.db2.gz ZTOBOGLYDSUNCZ-CABCVRRESA-N 1 0 306.410 2.066 10 30 DEEERO C=CC(C)(C)CCNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000627072442 366429675 /nfs/dbraw/zinc/42/96/75/366429675.db2.gz ZCHALPWLXWUXPV-UHFFFAOYSA-N 1 0 304.438 2.463 10 30 DEEERO C=CCn1c(C)cc(C(=O)CN(C)[C@H]2C[C@@H](C(=O)OC)C2)c1C ZINC000595853654 358565114 /nfs/dbraw/zinc/56/51/14/358565114.db2.gz WGDIZCAZYQMVLW-GASCZTMLSA-N 1 0 318.417 2.357 10 30 DEEERO C=C(C)C[NH+]1CCC(Nc2cc(CC(=O)OC)ccn2)CC1 ZINC000596116016 358614830 /nfs/dbraw/zinc/61/48/30/358614830.db2.gz QWRVUYFDKIMJCA-UHFFFAOYSA-N 1 0 303.406 2.250 10 30 DEEERO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2cnccc2C#N)C1 ZINC000596552119 358711296 /nfs/dbraw/zinc/71/12/96/358711296.db2.gz QLVYOCWGAXSVHJ-GOSISDBHSA-N 1 0 321.428 2.181 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000599526479 359516626 /nfs/dbraw/zinc/51/66/26/359516626.db2.gz MSRXTJFBOLCZIM-ZFWWWQNUSA-N 1 0 306.362 2.233 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000599526051 359516744 /nfs/dbraw/zinc/51/67/44/359516744.db2.gz CNDXKHHKWMJMST-CYBMUJFWSA-N 1 0 302.374 2.310 10 30 DEEERO CN(CC1([NH+](C)C)CCC1)C(=O)NCC1CCC(C#N)CC1 ZINC000440985635 238001345 /nfs/dbraw/zinc/00/13/45/238001345.db2.gz MQTCQGLJMUEYNE-UHFFFAOYSA-N 1 0 306.454 2.442 10 30 DEEERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC2CCC(C#N)CC2)C1 ZINC000441021587 238003163 /nfs/dbraw/zinc/00/31/63/238003163.db2.gz KTQZIIYFIHIRBR-QDIHITRGSA-N 1 0 306.454 2.488 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@H]2CCCC[C@H]2CC)CC1 ZINC000628125487 366729891 /nfs/dbraw/zinc/72/98/91/366729891.db2.gz BOLBNTBKCZGFKU-IAGOWNOFSA-N 1 0 307.482 2.123 10 30 DEEERO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(C#N)cc1F ZINC000610720166 361451435 /nfs/dbraw/zinc/45/14/35/361451435.db2.gz KWKYULQPQHDXMZ-HNNXBMFYSA-N 1 0 318.396 2.371 10 30 DEEERO C=C(C)[C@@H](CO)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611237537 361556726 /nfs/dbraw/zinc/55/67/26/361556726.db2.gz MKGAHTPNBHDECK-MRXNPFEDSA-N 1 0 306.362 2.375 10 30 DEEERO C=CCOCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611543888 361627135 /nfs/dbraw/zinc/62/71/35/361627135.db2.gz GUBCSHWIILHPBJ-UHFFFAOYSA-N 1 0 302.277 2.488 10 30 DEEERO CN(CCC[NH+](C)C)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619825869 363881025 /nfs/dbraw/zinc/88/10/25/363881025.db2.gz CDFZVUXQQYBYMR-UHFFFAOYSA-N 1 0 308.813 2.305 10 30 DEEERO C=CC[C@H]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000628488164 366865086 /nfs/dbraw/zinc/86/50/86/366865086.db2.gz SWSPEUYWCFFRKM-INIZCTEOSA-N 1 0 306.450 2.446 10 30 DEEERO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)C1 ZINC000623651024 365116612 /nfs/dbraw/zinc/11/66/12/365116612.db2.gz BHOKXKIIFBBDME-ILXRZTDVSA-N 1 0 312.421 2.037 10 30 DEEERO N#Cc1c(NC(=O)C[C@@H]2CSCC[NH2+]2)sc2c1CCC2 ZINC000091138311 193003742 /nfs/dbraw/zinc/00/37/42/193003742.db2.gz KSNKXJYYUBNZIB-SECBINFHSA-N 1 0 307.444 2.142 10 30 DEEERO C=CC[N@@H+](C[C@@H](O)CC1(O)CCOCC1)CC1CCCCC1 ZINC000630040298 367449491 /nfs/dbraw/zinc/44/94/91/367449491.db2.gz WYMWSFMQZHWBPJ-KRWDZBQOSA-N 1 0 311.466 2.347 10 30 DEEERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)n1C ZINC000450638941 242044012 /nfs/dbraw/zinc/04/40/12/242044012.db2.gz UWRFIFQLNHZXPQ-YOEHRIQHSA-N 1 0 322.412 2.147 10 30 DEEERO C#CCOc1ccc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1 ZINC000092096466 193156424 /nfs/dbraw/zinc/15/64/24/193156424.db2.gz QDLVHRSHHNRXCC-IPMKNSEASA-N 1 0 315.413 2.467 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(C[C@H](c2ccccc2)[NH+](C)C)C1=O ZINC000630965040 367939036 /nfs/dbraw/zinc/93/90/36/367939036.db2.gz NHWFNJAVNRLECJ-HUUCEWRRSA-N 1 0 301.390 2.176 10 30 DEEERO C=C1CC(C)(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000631239171 368097653 /nfs/dbraw/zinc/09/76/53/368097653.db2.gz AMAVSZIURNLNNH-UHFFFAOYSA-N 1 0 306.450 2.494 10 30 DEEERO C=C1CC(C)(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000631910403 368455680 /nfs/dbraw/zinc/45/56/80/368455680.db2.gz DMRJJCZJJZMESS-JKSUJKDBSA-N 1 0 306.450 2.227 10 30 DEEERO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000093685949 193289626 /nfs/dbraw/zinc/28/96/26/193289626.db2.gz WMRCQISZMFHAIK-JTQLQIEISA-N 1 0 321.427 2.118 10 30 DEEERO COc1ccc(NC(=O)c2csc(C#CC[NH3+])c2)cc1F ZINC000093975822 193333274 /nfs/dbraw/zinc/33/32/74/193333274.db2.gz PSJWYTJERGKKDF-UHFFFAOYSA-N 1 0 304.346 2.458 10 30 DEEERO C[C@H](Cc1cccs1)NC(=O)c1csc(C#CC[NH3+])c1 ZINC000093976463 193333375 /nfs/dbraw/zinc/33/33/75/193333375.db2.gz KPBIRHUMKFNNPE-LLVKDONJSA-N 1 0 304.440 2.481 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC000453614475 245216481 /nfs/dbraw/zinc/21/64/81/245216481.db2.gz FAEFKCAXVSKWSV-WBVHZDCISA-N 1 0 300.402 2.494 10 30 DEEERO C=CC[C@H]([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000160197744 197392619 /nfs/dbraw/zinc/39/26/19/197392619.db2.gz YMNJHVGJSQAILY-JTQLQIEISA-N 1 0 308.403 2.255 10 30 DEEERO CN(Cc1cc(C#CC[NH3+])cs1)C(=O)c1ccccc1O ZINC000042400410 183264495 /nfs/dbraw/zinc/26/44/95/183264495.db2.gz RSRUPBINKAOKOT-UHFFFAOYSA-N 1 0 300.383 2.036 10 30 DEEERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CCC#N)C2CC2)cc1 ZINC000042549775 183284192 /nfs/dbraw/zinc/28/41/92/183284192.db2.gz QHIVJCMJTYLKAN-LBPRGKRZSA-N 1 0 307.419 2.034 10 30 DEEERO CC(C)C[C@H](C)N(C)S(=O)(=O)c1cccc(C#CC[NH3+])c1 ZINC000042598219 183289562 /nfs/dbraw/zinc/28/95/62/183289562.db2.gz WRXXXSFYFDMIIX-AWEZNQCLSA-N 1 0 308.447 2.052 10 30 DEEERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CC#N)CC#N ZINC000042952525 183320721 /nfs/dbraw/zinc/32/07/21/183320721.db2.gz XODAJIFSAPMBLX-GWCFXTLKSA-N 1 0 307.195 2.187 10 30 DEEERO CCN(CCOc1cccc(C#CC[NH3+])c1)CC(F)(F)F ZINC000042780011 183308657 /nfs/dbraw/zinc/30/86/57/183308657.db2.gz WHMNKFWQZATPBS-UHFFFAOYSA-N 1 0 300.324 2.260 10 30 DEEERO CC(C)(C)[NH+]1CCN(Cc2cc(C#CCCO)cs2)CC1 ZINC000043691431 183381371 /nfs/dbraw/zinc/38/13/71/183381371.db2.gz ILZQKEYJOZBAQQ-UHFFFAOYSA-N 1 0 306.475 2.398 10 30 DEEERO [NH3+]CC#Cc1ccsc1CSc1nnc2ccccn21 ZINC000061407646 184169999 /nfs/dbraw/zinc/16/99/99/184169999.db2.gz VNZRAWUPIFRDLI-UHFFFAOYSA-N 1 0 300.412 2.393 10 30 DEEERO CC[NH+](CC)[C@H]1CCN(Cc2cc(C#CCCO)cs2)C1 ZINC000062967921 184263635 /nfs/dbraw/zinc/26/36/35/184263635.db2.gz XSTHKHNWBHGLPA-INIZCTEOSA-N 1 0 306.475 2.398 10 30 DEEERO CC[C@H]1C[N@H+](CCOc2cccc(C#CCO)c2)CCS1 ZINC000158029770 197237340 /nfs/dbraw/zinc/23/73/40/197237340.db2.gz JAEJFDRWXKVWBO-KRWDZBQOSA-N 1 0 305.443 2.237 10 30 DEEERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC(=O)N(C)CCC#N ZINC000158002627 197233831 /nfs/dbraw/zinc/23/38/31/197233831.db2.gz BVOLQZFQUWSTNE-CYBMUJFWSA-N 1 0 319.453 2.359 10 30 DEEERO C[C@@H](NC(=O)[C@H]1CCCCS1)c1ccc(C#CC[NH3+])cc1 ZINC000156279767 197101180 /nfs/dbraw/zinc/10/11/80/197101180.db2.gz MOTVREKMYQCMNT-CZUORRHYSA-N 1 0 302.443 2.460 10 30 DEEERO COc1ccc2ccccc2c1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000195522301 533338952 /nfs/dbraw/zinc/33/89/52/533338952.db2.gz FWTANKPLTIGZGG-AWEZNQCLSA-N 1 0 313.401 2.432 10 30 DEEERO C[C@@H]1CCCN(C(=[NH2+])NCc2ccn(Cc3ccccc3)n2)C1 ZINC000261693438 533635093 /nfs/dbraw/zinc/63/50/93/533635093.db2.gz BLBXTMUIPVLKEC-OAHLLOKOSA-N 1 0 311.433 2.478 10 30 DEEERO N#Cc1cc(Br)ccc1NCCCN1CC[NH2+]CC1 ZINC000229246033 132552375 /nfs/dbraw/zinc/55/23/75/132552375.db2.gz KCEHCENDDCXRDW-UHFFFAOYSA-N 1 0 323.238 2.028 10 30 DEEERO Cc1cccc(N2CCC([NH2+]Cc3cc(C#N)n(C)c3)CC2)n1 ZINC000191103537 145053034 /nfs/dbraw/zinc/05/30/34/145053034.db2.gz MWADIHDOCPVNNW-UHFFFAOYSA-N 1 0 309.417 2.359 10 30 DEEERO COCC[NH+]1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358582076 147160032 /nfs/dbraw/zinc/16/00/32/147160032.db2.gz ZRKLNANTMMFKIX-ZDUSSCGKSA-N 1 0 305.397 2.459 10 30 DEEERO N#Cc1c(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)cn2ccccc12 ZINC000374541341 148258597 /nfs/dbraw/zinc/25/85/97/148258597.db2.gz MBRUHONKQPVWDE-CYBMUJFWSA-N 1 0 306.373 2.309 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000126677159 401703839 /nfs/dbraw/zinc/70/38/39/401703839.db2.gz UAOFUBPDSXQFOP-NEPJUHHUSA-N 1 0 307.369 2.185 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128224447 401767674 /nfs/dbraw/zinc/76/76/74/401767674.db2.gz GEMIBECTDAKAEC-JKSUJKDBSA-N 1 0 304.438 2.381 10 30 DEEERO N#Cc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000128420702 401776009 /nfs/dbraw/zinc/77/60/09/401776009.db2.gz WSMACQMFDKGKBJ-DLBZAZTESA-N 1 0 323.400 2.467 10 30 DEEERO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000081758343 401898475 /nfs/dbraw/zinc/89/84/75/401898475.db2.gz ONHGVBKVYFKOKG-UHFFFAOYSA-N 1 0 316.449 2.481 10 30 DEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1cccc(OCC#N)c1 ZINC000089849963 401967960 /nfs/dbraw/zinc/96/79/60/401967960.db2.gz CYILQDAKVSWLOB-INIZCTEOSA-N 1 0 317.433 2.224 10 30 DEEERO C=CCCC[N@@H+](C)C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000121106356 402015933 /nfs/dbraw/zinc/01/59/33/402015933.db2.gz UNATUXMNXKKJSA-MRXNPFEDSA-N 1 0 306.406 2.283 10 30 DEEERO Cc1cc(C#N)ccc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000120859688 402004569 /nfs/dbraw/zinc/00/45/69/402004569.db2.gz SHOVOYXURWOROV-INIZCTEOSA-N 1 0 315.417 2.050 10 30 DEEERO C[C@@H]1C[C@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1C ZINC000123964853 402156426 /nfs/dbraw/zinc/15/64/26/402156426.db2.gz MQYVFPZJHKPTSB-HZPDHXFCSA-N 1 0 320.481 2.086 10 30 DEEERO C=CCCOCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000124330082 402174761 /nfs/dbraw/zinc/17/47/61/402174761.db2.gz YNCXWZKGQGNBLV-UHFFFAOYSA-N 1 0 323.412 2.279 10 30 DEEERO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)c1 ZINC000070788058 402264613 /nfs/dbraw/zinc/26/46/13/402264613.db2.gz KNFFPOSSWZHQQA-QWHCGFSZSA-N 1 0 319.405 2.115 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160870919 402363518 /nfs/dbraw/zinc/36/35/18/402363518.db2.gz MVPMGZWKHVEGEO-LZLYRXPVSA-N 1 0 308.466 2.427 10 30 DEEERO C=CC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000185883762 402385789 /nfs/dbraw/zinc/38/57/89/402385789.db2.gz KPKSOUABYYHJIN-RDJZCZTQSA-N 1 0 320.408 2.091 10 30 DEEERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000178751924 402534344 /nfs/dbraw/zinc/53/43/44/402534344.db2.gz OYFLGPDOYZMTRJ-QGZVFWFLSA-N 1 0 323.400 2.166 10 30 DEEERO N#Cc1ccsc1NC(=O)CCN1CCC[N@@H+](C2CC2)CC1 ZINC000171837599 402627686 /nfs/dbraw/zinc/62/76/86/402627686.db2.gz GWMYHYBZRVGPEJ-UHFFFAOYSA-N 1 0 318.446 2.118 10 30 DEEERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCC(=O)Nc1sccc1C#N ZINC000191172293 402648197 /nfs/dbraw/zinc/64/81/97/402648197.db2.gz HQXZUFPGWCDMDB-GHMZBOCLSA-N 1 0 307.419 2.182 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)C1=O ZINC000281386822 403067347 /nfs/dbraw/zinc/06/73/47/403067347.db2.gz ZFCBELWIXHIWER-DOMZBBRYSA-N 1 0 304.438 2.384 10 30 DEEERO C=CCOc1ccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1 ZINC000342846761 403369638 /nfs/dbraw/zinc/36/96/38/403369638.db2.gz OMNQVIIPBWNHEQ-JKSUJKDBSA-N 1 0 304.434 2.138 10 30 DEEERO CC#CCCCC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000343719901 403706422 /nfs/dbraw/zinc/70/64/22/403706422.db2.gz GENDKUAFGVQQRI-QGZVFWFLSA-N 1 0 306.450 2.283 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000288341425 403746860 /nfs/dbraw/zinc/74/68/60/403746860.db2.gz CXGGOLMBVPCRSU-WBVHZDCISA-N 1 0 300.446 2.418 10 30 DEEERO CC(C)(C)OC(=O)CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304764647 403801446 /nfs/dbraw/zinc/80/14/46/403801446.db2.gz YHVIXJITXNMAKD-ZDUSSCGKSA-N 1 0 319.405 2.146 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1C ZINC000290140743 404057239 /nfs/dbraw/zinc/05/72/39/404057239.db2.gz GBHBDAGTJOPISR-CJNGLKHVSA-N 1 0 322.416 2.027 10 30 DEEERO CC(=O)Nc1ccn([C@H]2CC[N@H+](CC3(O)CCCCC3)C2)n1 ZINC000328627945 404118956 /nfs/dbraw/zinc/11/89/56/404118956.db2.gz NFCJBNCJZKVFEY-AWEZNQCLSA-N 1 0 306.410 2.433 10 30 DEEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@@H](C2CC2)[NH+](C)C)cn1 ZINC000328638402 404122817 /nfs/dbraw/zinc/12/28/17/404122817.db2.gz WIIIPCUYOLHHCH-HRCADAONSA-N 1 0 320.437 2.277 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](CCO)CC1CC1 ZINC000352458477 404383635 /nfs/dbraw/zinc/38/36/35/404383635.db2.gz KZDVVWWCAYNXGS-AWEZNQCLSA-N 1 0 322.474 2.356 10 30 DEEERO Cn1cc(NC(=O)N2CCCC23CC[NH+](C)CC3)c(C2CC2)n1 ZINC000329602433 404389106 /nfs/dbraw/zinc/38/91/06/404389106.db2.gz FVHMEZRKGDZHQR-UHFFFAOYSA-N 1 0 317.437 2.403 10 30 DEEERO [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000329600901 404389476 /nfs/dbraw/zinc/38/94/76/404389476.db2.gz KHLMQIOBTBAAQG-NXEZZACHSA-N 1 0 316.327 2.455 10 30 DEEERO [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000329600902 404389646 /nfs/dbraw/zinc/38/96/46/404389646.db2.gz KHLMQIOBTBAAQG-VHSXEESVSA-N 1 0 316.327 2.455 10 30 DEEERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cn(C)nc1C1CC1 ZINC000329607456 404390665 /nfs/dbraw/zinc/39/06/65/404390665.db2.gz IKWLAZYLLGMYQZ-KGLIPLIRSA-N 1 0 317.437 2.402 10 30 DEEERO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329713246 404431432 /nfs/dbraw/zinc/43/14/32/404431432.db2.gz RGDSLWRIVWYECT-UMVBOHGHSA-N 1 0 322.453 2.214 10 30 DEEERO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000352563154 404458504 /nfs/dbraw/zinc/45/85/04/404458504.db2.gz PAXXZGDHBWDPHD-CABCVRRESA-N 1 0 302.484 2.335 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000297658211 404582556 /nfs/dbraw/zinc/58/25/56/404582556.db2.gz OIHNAPRRBWRPED-HNNXBMFYSA-N 1 0 311.429 2.294 10 30 DEEERO C#CCCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000365320383 404614721 /nfs/dbraw/zinc/61/47/21/404614721.db2.gz FGJUNZVNDZOTOX-UHFFFAOYSA-N 1 0 309.413 2.464 10 30 DEEERO C=CCOc1ccc(C[NH2+]CCN2CCOC(C)(C)C2)cc1 ZINC000356891161 404718592 /nfs/dbraw/zinc/71/85/92/404718592.db2.gz HYTKZENQFLNECS-UHFFFAOYSA-N 1 0 304.434 2.452 10 30 DEEERO C=CCOc1cccc(CN(C)C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000353768139 404964256 /nfs/dbraw/zinc/96/42/56/404964256.db2.gz NOKJVUIRGQKURR-HNNXBMFYSA-N 1 0 309.431 2.118 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415812816 404949064 /nfs/dbraw/zinc/94/90/64/404949064.db2.gz TUWWJUYGQPLFSO-CHWSQXEVSA-N 1 0 317.433 2.329 10 30 DEEERO C=CCC[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)C1CC1 ZINC000353970402 404978450 /nfs/dbraw/zinc/97/84/50/404978450.db2.gz DJOBBIHLDHONLG-HUUCEWRRSA-N 1 0 300.468 2.135 10 30 DEEERO C=CCCOCCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416177392 405046892 /nfs/dbraw/zinc/04/68/92/405046892.db2.gz IEVOJEJAKGLLMZ-UHFFFAOYSA-N 1 0 302.418 2.144 10 30 DEEERO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408347945 405179967 /nfs/dbraw/zinc/17/99/67/405179967.db2.gz COGYVXOFDGKFHV-ATLSCFEFSA-N 1 0 321.465 2.056 10 30 DEEERO C=CCC1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CCOCC1 ZINC000424839596 405193255 /nfs/dbraw/zinc/19/32/55/405193255.db2.gz FWTOEPSZSHDNQY-QGZVFWFLSA-N 1 0 306.450 2.304 10 30 DEEERO N#CCC[C@@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000440241269 405307262 /nfs/dbraw/zinc/30/72/62/405307262.db2.gz MQYMNTMIOGLCIK-QGZVFWFLSA-N 1 0 323.400 2.260 10 30 DEEERO CC1CC[NH+](CCCCNC(=O)c2ccc(C#N)n2C)CC1 ZINC000448709427 405439262 /nfs/dbraw/zinc/43/92/62/405439262.db2.gz AUIMMCFGXALXGU-UHFFFAOYSA-N 1 0 302.422 2.139 10 30 DEEERO C=CCOc1ccc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000638655105 405598499 /nfs/dbraw/zinc/59/84/99/405598499.db2.gz UWYVPZWSZIYBPG-GXTWGEPZSA-N 1 0 304.390 2.130 10 30 DEEERO C=CCC1(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CCOCC1 ZINC000638882409 405738698 /nfs/dbraw/zinc/73/86/98/405738698.db2.gz RWYVTBRDAUQNBP-QGZVFWFLSA-N 1 0 316.445 2.436 10 30 DEEERO C=C1CC(C)(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000633606395 405741718 /nfs/dbraw/zinc/74/17/18/405741718.db2.gz NHJJOEFFLNXGRR-UHFFFAOYSA-N 1 0 306.450 2.350 10 30 DEEERO C=CC[C@]1(C(=O)Nc2ccc(OC)c(COC)c2)CCC[NH2+]1 ZINC000639002321 405815037 /nfs/dbraw/zinc/81/50/37/405815037.db2.gz BWLYZWKQVAQAAR-QGZVFWFLSA-N 1 0 304.390 2.478 10 30 DEEERO C=CC[C@]1(C(=O)Nc2nnc([C@H]3CCCO3)s2)CCC[NH2+]1 ZINC000639022184 405825445 /nfs/dbraw/zinc/82/54/45/405825445.db2.gz YSJQSWYWZJJCDH-QMTHXVAHSA-N 1 0 308.407 2.026 10 30 DEEERO C[C@H](NC(=O)c1ccc(C#N)n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450520296 405940096 /nfs/dbraw/zinc/94/00/96/405940096.db2.gz UYLFFPIWSBBRCH-KBPBESRZSA-N 1 0 314.433 2.280 10 30 DEEERO C=C1CC(C)(C(=O)Nc2cc(N3CCN(C)CC3)cc[nH+]2)C1 ZINC000634194149 406049887 /nfs/dbraw/zinc/04/98/87/406049887.db2.gz LLFVVHXUQKSFFC-UHFFFAOYSA-N 1 0 300.406 2.128 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000637624287 406370830 /nfs/dbraw/zinc/37/08/30/406370830.db2.gz WIEJLXPITDKPDC-UHFFFAOYSA-N 1 0 311.470 2.077 10 30 DEEERO C=CCCC(C)(C)NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638432875 406769492 /nfs/dbraw/zinc/76/94/92/406769492.db2.gz SJTBXEAPGJFTLW-INIZCTEOSA-N 1 0 303.450 2.307 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000574911843 406787732 /nfs/dbraw/zinc/78/77/32/406787732.db2.gz GGHZGRCRPQPZDT-BBWFWOEESA-N 1 0 305.418 2.224 10 30 DEEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643620792 407018217 /nfs/dbraw/zinc/01/82/17/407018217.db2.gz NOFKSVHXKBKGKQ-NSHDSACASA-N 1 0 314.838 2.152 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NCc2cscn2)cc1Cl ZINC000129156447 196024979 /nfs/dbraw/zinc/02/49/79/196024979.db2.gz DNEZSWANDZZQLI-UHFFFAOYSA-N 1 0 305.790 2.037 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000132217719 196235718 /nfs/dbraw/zinc/23/57/18/196235718.db2.gz LWIZMJQYRJLXLN-PBHICJAKSA-N 1 0 314.433 2.428 10 30 DEEERO C=CCN(C)S(=O)(=O)c1cc(C[NH2+]C(C)C)ccc1F ZINC000132302269 196243025 /nfs/dbraw/zinc/24/30/25/196243025.db2.gz VNDWBIOKNREOJI-UHFFFAOYSA-N 1 0 300.399 2.130 10 30 DEEERO CC[NH2+][C@H]1CCN(c2ccc(Br)cc2C#N)C1=O ZINC000133027042 196305773 /nfs/dbraw/zinc/30/57/73/196305773.db2.gz KPDSVJRTLZZUFS-NSHDSACASA-N 1 0 308.179 2.036 10 30 DEEERO C=CCn1ncc(NCC[NH+]2CCC(C)CC2)c(Cl)c1=O ZINC000134187124 196369632 /nfs/dbraw/zinc/36/96/32/196369632.db2.gz AALOSQLOQFCRET-UHFFFAOYSA-N 1 0 310.829 2.227 10 30 DEEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262363455 225268513 /nfs/dbraw/zinc/26/85/13/225268513.db2.gz HGBKLBPLCVNNTK-CFVMTHIKSA-N 1 0 303.406 2.373 10 30 DEEERO Cc1oc2ccccc2c1CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262475682 225272800 /nfs/dbraw/zinc/27/28/00/225272800.db2.gz QBNVROZAFBFIST-LBPRGKRZSA-N 1 0 301.390 2.319 10 30 DEEERO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000408043783 267264945 /nfs/dbraw/zinc/26/49/45/267264945.db2.gz LLYNKCXIWRVCQU-NJAFHUGGSA-N 1 0 318.392 2.449 10 30 DEEERO N#Cc1cccc(CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000531153554 268273852 /nfs/dbraw/zinc/27/38/52/268273852.db2.gz SCFXWLQREQXGDR-GOSISDBHSA-N 1 0 311.429 2.435 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000448747621 273814545 /nfs/dbraw/zinc/81/45/45/273814545.db2.gz KAMGSCYMYOQYKZ-MRXNPFEDSA-N 1 0 314.364 2.069 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(=O)OC ZINC000451589539 277773394 /nfs/dbraw/zinc/77/33/94/277773394.db2.gz VRAFCXFTNPLPMH-SOUVJXGZSA-N 1 0 310.438 2.121 10 30 DEEERO N#Cc1ccc(C2(C(=O)N3CCC[N@@H+](C4CC4)CC3)CC2)cc1 ZINC000189154861 303189724 /nfs/dbraw/zinc/18/97/24/303189724.db2.gz CBHQWKNJMIUPQH-UHFFFAOYSA-N 1 0 309.413 2.287 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000563064006 333244800 /nfs/dbraw/zinc/24/48/00/333244800.db2.gz KNRQJGZOGCVPDI-DOMZBBRYSA-N 1 0 303.362 2.107 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000563064008 333245125 /nfs/dbraw/zinc/24/51/25/333245125.db2.gz KNRQJGZOGCVPDI-SWLSCSKDSA-N 1 0 303.362 2.107 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000185501427 337248692 /nfs/dbraw/zinc/24/86/92/337248692.db2.gz JASTWQBRVVQNTA-IAGOWNOFSA-N 1 0 307.482 2.217 10 30 DEEERO CCc1ccc(C)[n+](CC(=O)N2CCc3sccc3C2)c1 ZINC000029399730 337389295 /nfs/dbraw/zinc/38/92/95/337389295.db2.gz UWWXJIOLENJEDD-UHFFFAOYSA-N 1 0 301.435 2.491 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2cccc(C#N)c2)C[C@H]1CC ZINC000106118018 519921729 /nfs/dbraw/zinc/92/17/29/519921729.db2.gz DGNHTNVBEXPGOT-GOSISDBHSA-N 1 0 301.434 2.491 10 30 DEEERO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000329473676 534750914 /nfs/dbraw/zinc/75/09/14/534750914.db2.gz AQGMUCACMOXMDO-ZNMIVQPWSA-N 1 0 308.422 2.013 10 30 DEEERO Cc1cc(C#N)ccc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000160269660 526191005 /nfs/dbraw/zinc/19/10/05/526191005.db2.gz FGHSBPWVFWJENT-GJZGRUSLSA-N 1 0 315.417 2.096 10 30 DEEERO C[NH+]=C(NC1CCC1)NC1CCN(c2ccc(C)cn2)CC1 ZINC000262796785 526344222 /nfs/dbraw/zinc/34/42/22/526344222.db2.gz PYMGWROWDSLEJR-UHFFFAOYSA-N 1 0 301.438 2.076 10 30 DEEERO CNC(NCCc1c[nH]c2ccc(Br)cc12)=[NH+]C ZINC000262300988 526344322 /nfs/dbraw/zinc/34/43/22/526344322.db2.gz ZSMRMUWZGSKCIN-UHFFFAOYSA-N 1 0 309.211 2.268 10 30 DEEERO C[NH+]=C(NC1CCC1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000261699256 526344623 /nfs/dbraw/zinc/34/46/23/526344623.db2.gz IZPZWUJDJSRFML-UHFFFAOYSA-N 1 0 308.376 2.215 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418692387 526348140 /nfs/dbraw/zinc/34/81/40/526348140.db2.gz FRTNKAHBSTVYJM-RYUDHWBXSA-N 1 0 306.366 2.028 10 30 DEEERO C[NH+]=C(NCCN1CCc2sccc2C1)N[C@@H](C)C(C)C ZINC000263258015 526359492 /nfs/dbraw/zinc/35/94/92/526359492.db2.gz RLNIQUQMMFDWST-ZDUSSCGKSA-N 1 0 308.495 2.316 10 30 DEEERO C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)NC1CCC1 ZINC000262773591 526365966 /nfs/dbraw/zinc/36/59/66/526365966.db2.gz IKTPQUHXRYRLRM-UHFFFAOYSA-N 1 0 306.357 2.422 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000246246979 526525598 /nfs/dbraw/zinc/52/55/98/526525598.db2.gz ISHVTHMPQVPYPD-CVEARBPZSA-N 1 0 304.438 2.191 10 30 DEEERO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000292834290 526715851 /nfs/dbraw/zinc/71/58/51/526715851.db2.gz FKLYJXCRYVNGIA-UHFFFAOYSA-N 1 0 314.437 2.381 10 30 DEEERO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000156230216 526725834 /nfs/dbraw/zinc/72/58/34/526725834.db2.gz CJOPTWAKDYXWOW-MRXNPFEDSA-N 1 0 311.389 2.256 10 30 DEEERO C=CCOc1ccc(CC(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1 ZINC000296645750 526856966 /nfs/dbraw/zinc/85/69/66/526856966.db2.gz WZTSGOFPJPWDHQ-HUUCEWRRSA-N 1 0 302.418 2.345 10 30 DEEERO C#CCOc1ccc(C[N@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)cc1 ZINC000370211063 527101806 /nfs/dbraw/zinc/10/18/06/527101806.db2.gz VFRDWVPPGPZJLM-MJGOQNOKSA-N 1 0 315.413 2.469 10 30 DEEERO C=CCCCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000447976700 527218708 /nfs/dbraw/zinc/21/87/08/527218708.db2.gz LLHQSLZQOHTDHB-UHFFFAOYSA-N 1 0 302.422 2.311 10 30 DEEERO C=CCCCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000447964766 527220053 /nfs/dbraw/zinc/22/00/53/527220053.db2.gz RFPSSVOBLFKZJE-UHFFFAOYSA-N 1 0 301.434 2.351 10 30 DEEERO C=CCc1cc(C[NH2+]CC2(C)OCCCO2)cc(OC)c1O ZINC000192248915 527242762 /nfs/dbraw/zinc/24/27/62/527242762.db2.gz AJZBDWFLKVYVIU-UHFFFAOYSA-N 1 0 307.390 2.372 10 30 DEEERO C=CCn1c([C@@H](C)CC)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000337838316 527348112 /nfs/dbraw/zinc/34/81/12/527348112.db2.gz DHIHEBAEZDJVKB-GJZGRUSLSA-N 1 0 321.469 2.135 10 30 DEEERO C=CCC[C@H](O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000305085755 527489414 /nfs/dbraw/zinc/48/94/14/527489414.db2.gz NWKPJRAVAGASFT-KRWDZBQOSA-N 1 0 308.466 2.474 10 30 DEEERO CCC[NH+]1CCC(NC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000440994971 528198073 /nfs/dbraw/zinc/19/80/73/528198073.db2.gz XWCJTQUEKDCGEQ-UHFFFAOYSA-N 1 0 306.454 2.490 10 30 DEEERO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261976078 528813595 /nfs/dbraw/zinc/81/35/95/528813595.db2.gz NRNRLTKDPHLLRZ-KKUMJFAQSA-N 1 0 302.422 2.156 10 30 DEEERO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)NC1CCCCC1 ZINC000262444654 528813846 /nfs/dbraw/zinc/81/38/46/528813846.db2.gz VGWOVXUMTUEXDM-CQSZACIVSA-N 1 0 318.469 2.037 10 30 DEEERO CC[N@H+](C)C[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000187669096 535753437 /nfs/dbraw/zinc/75/34/37/535753437.db2.gz OVKMQDSKGWSXII-MRXNPFEDSA-N 1 0 311.429 2.390 10 30 DEEERO C[NH+](C)Cc1cc(CNC(=O)c2ccnc(C#N)c2)ccc1F ZINC000193274919 535991030 /nfs/dbraw/zinc/99/10/30/535991030.db2.gz BKMNOACIQAWOCF-UHFFFAOYSA-N 1 0 312.348 2.084 10 30 DEEERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(F)c2C#N)C1 ZINC000188720189 536474072 /nfs/dbraw/zinc/47/40/72/536474072.db2.gz WLGLRRDHXKJJGL-MLGOLLRUSA-N 1 0 301.365 2.254 10 30 DEEERO CC[NH+]=C(NC[C@H](O)C(F)(F)F)NC1C[C@H](C)C[C@H](C)C1 ZINC000330363236 625576087 /nfs/dbraw/zinc/57/60/87/625576087.db2.gz JKYNGXDHXCDCNR-MBYGNEARSA-N 1 0 309.376 2.289 10 30 DEEERO CCN(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)c1ccsc1 ZINC000161500914 625100781 /nfs/dbraw/zinc/10/07/81/625100781.db2.gz OLNNQMHIMCULGA-LSDHHAIUSA-N 1 0 324.494 2.214 10 30 DEEERO N#CCOc1cc(F)ccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178151796 625136755 /nfs/dbraw/zinc/13/67/55/625136755.db2.gz OQOSDJGPDHYLQD-ZDUSSCGKSA-N 1 0 318.352 2.040 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc([S@](C)=O)cc1 ZINC000121463516 650125125 /nfs/dbraw/zinc/12/51/25/650125125.db2.gz WGCXHJPMPFQTIA-RCDICMHDSA-N 1 0 321.442 2.315 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000121485655 650364578 /nfs/dbraw/zinc/36/45/78/650364578.db2.gz LEOHYYDZWPMOQI-ZDUSSCGKSA-N 1 0 304.346 2.485 10 30 DEEERO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000744854822 638253012 /nfs/dbraw/zinc/25/30/12/638253012.db2.gz ORNKMEVGMNJMLK-MRXNPFEDSA-N 1 0 303.381 2.065 10 30 DEEERO C#CCOc1ccc(Br)cc1C[NH2+][C@H](CO)CC=C ZINC000320834600 639670205 /nfs/dbraw/zinc/67/02/05/639670205.db2.gz AUMKELUNZVUUQX-AWEZNQCLSA-N 1 0 324.218 2.488 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000805183222 640086654 /nfs/dbraw/zinc/08/66/54/640086654.db2.gz CJCURSRYFKUGGY-MSOLQXFVSA-N 1 0 313.445 2.262 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000805183678 640091282 /nfs/dbraw/zinc/09/12/82/640091282.db2.gz JUULTFKMAXRYQT-IRXDYDNUSA-N 1 0 311.429 2.157 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(C#N)cc1F ZINC000729821766 640845699 /nfs/dbraw/zinc/84/56/99/640845699.db2.gz VBQSROCWAIYXKX-CQSZACIVSA-N 1 0 320.437 2.146 10 30 DEEERO C[NH+]=C(NCc1cccs1)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000153431649 647460896 /nfs/dbraw/zinc/46/08/96/647460896.db2.gz YOUUVQXETVQVFI-LLVKDONJSA-N 1 0 319.478 2.395 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(Cc2ccccc2)CCC1 ZINC000304997521 685264480 /nfs/dbraw/zinc/26/44/80/685264480.db2.gz MKUGYOIFWAENJL-INIZCTEOSA-N 1 0 301.434 2.483 10 30 DEEERO [NH2+]=C(NC[C@H]1COc2ccccc2O1)NC1CCCCCC1 ZINC000092276844 684041675 /nfs/dbraw/zinc/04/16/75/684041675.db2.gz XUKFGOIWWPJBBV-AWEZNQCLSA-N 1 0 303.406 2.454 10 30 DEEERO Cc1cc(C#N)ccc1C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000129851588 684182937 /nfs/dbraw/zinc/18/29/37/684182937.db2.gz XNDWETWMZMDQCI-MRXNPFEDSA-N 1 0 316.401 2.380 10 30 DEEERO [NH2+]=C(NCCc1cn2ccccc2n1)NCCc1cccs1 ZINC000303790558 685235201 /nfs/dbraw/zinc/23/52/01/685235201.db2.gz WKKZGPSBYHXPAE-UHFFFAOYSA-N 1 0 313.430 2.085 10 30 DEEERO CCN(Cc1ccccc1)C(=O)CNC(=[NH2+])NC1CCCCC1 ZINC000303878722 685236417 /nfs/dbraw/zinc/23/64/17/685236417.db2.gz JFNQSICLLLBJIF-UHFFFAOYSA-N 1 0 316.449 2.272 10 30 DEEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713864413 792263149 /nfs/dbraw/zinc/26/31/49/792263149.db2.gz ANXLDTCPHXEUFD-GHMZBOCLSA-N 1 0 314.838 2.280 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000716955210 797957411 /nfs/dbraw/zinc/95/74/11/797957411.db2.gz DMLMZRXAYCUWIV-ILXRZTDVSA-N 1 0 322.449 2.450 10 30 DEEERO CC#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000717749424 799430408 /nfs/dbraw/zinc/43/04/08/799430408.db2.gz NIDPVYDKLNWMOA-BZUAXINKSA-N 1 0 324.465 2.386 10 30 DEEERO C#CCN(CCC)S(=O)(=O)c1cc(C[NH2+]C(C)C)cs1 ZINC000162146988 197548691 /nfs/dbraw/zinc/54/86/91/197548691.db2.gz AEQYCHOXZDPGPI-UHFFFAOYSA-N 1 0 314.476 2.280 10 30 DEEERO CCc1nc(CNC(N[C@@H]2C[C@@H](OC)C2(C)C)=[NH+]C)cs1 ZINC000261723876 529735539 /nfs/dbraw/zinc/73/55/39/529735539.db2.gz KZOPZUBSZDONLW-VXGBXAGGSA-N 1 0 310.467 2.184 10 30 DEEERO CCc1nn(-c2ccccc2)c(CC)c1CNC1=[NH+]C[C@H](C)N1 ZINC000262681328 529764525 /nfs/dbraw/zinc/76/45/25/529764525.db2.gz WKODUQSJLDDFGY-ZDUSSCGKSA-N 1 0 311.433 2.434 10 30 DEEERO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1c[nH]c(C#N)c1 ZINC000328615006 529955224 /nfs/dbraw/zinc/95/52/24/529955224.db2.gz APGKZRLSFUUVNE-YOEHRIQHSA-N 1 0 323.400 2.046 10 30 DEEERO C=C(C)C[C@H](NC(C)=O)C(=O)N(CCC)CC[NH+]1CCCCC1 ZINC000614730216 362449752 /nfs/dbraw/zinc/44/97/52/362449752.db2.gz WUHOIEHOUPLCCO-KRWDZBQOSA-N 1 0 323.481 2.182 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000625700104 365874976 /nfs/dbraw/zinc/87/49/76/365874976.db2.gz HRSROUIJXRXZIM-AWEZNQCLSA-N 1 0 306.381 2.219 10 30 DEEERO C=CC[C@H]1CC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000625702325 365877092 /nfs/dbraw/zinc/87/70/92/365877092.db2.gz XIDOFBUNLGWFKC-HOCLYGCPSA-N 1 0 300.402 2.004 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)NCC)c2)C1 ZINC000625705828 365877401 /nfs/dbraw/zinc/87/74/01/365877401.db2.gz ZNXKOMVJGXAQCX-CQSZACIVSA-N 1 0 315.417 2.273 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000625702877 365877430 /nfs/dbraw/zinc/87/74/30/365877430.db2.gz IALPODKMOHUCTA-AWEZNQCLSA-N 1 0 315.417 2.225 10 30 DEEERO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000616242652 362805537 /nfs/dbraw/zinc/80/55/37/362805537.db2.gz WCLKWLSPXZASFE-QGZVFWFLSA-N 1 0 317.433 2.466 10 30 DEEERO C[C@H]1SCCN(C(=O)c2ccc(C#CC[NH3+])cc2F)[C@H]1C ZINC000133661877 186004933 /nfs/dbraw/zinc/00/49/33/186004933.db2.gz NEYLNFXFQIHQDA-NWDGAFQWSA-N 1 0 306.406 2.102 10 30 DEEERO C[C@H]1SCCN(C(=O)c2ccc(F)cc2C#CC[NH3+])[C@@H]1C ZINC000133677307 186005757 /nfs/dbraw/zinc/00/57/57/186005757.db2.gz XYMPCSCSYRVMFJ-VXGBXAGGSA-N 1 0 306.406 2.102 10 30 DEEERO Cc1ccc(C(=O)NCc2sccc2C#CC[NH3+])c(F)c1 ZINC000148679494 186045432 /nfs/dbraw/zinc/04/54/32/186045432.db2.gz GEJRBDPHBHTNHJ-UHFFFAOYSA-N 1 0 302.374 2.436 10 30 DEEERO [NH3+]CC#Cc1ccsc1CNC(=O)c1cc(F)ccc1F ZINC000148653646 186045593 /nfs/dbraw/zinc/04/55/93/186045593.db2.gz HWXLZRAAVUMZGK-UHFFFAOYSA-N 1 0 306.337 2.267 10 30 DEEERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000159568614 186127481 /nfs/dbraw/zinc/12/74/81/186127481.db2.gz YAWUMEQJZDCZAA-GDBMZVCRSA-N 1 0 315.417 2.455 10 30 DEEERO C=CCOc1ccc(CC(=O)N(CC)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000617549973 363176661 /nfs/dbraw/zinc/17/66/61/363176661.db2.gz CSRJAUVKSXAVLQ-MRXNPFEDSA-N 1 0 302.418 2.347 10 30 DEEERO O=C(CN1CCCCCC1=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329191267 539914969 /nfs/dbraw/zinc/91/49/69/539914969.db2.gz SGTXQJDVYHRJGM-AWEZNQCLSA-N 1 0 307.438 2.362 10 30 DEEERO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C#N)o2)[C@H](C)C1 ZINC000174399967 198331065 /nfs/dbraw/zinc/33/10/65/198331065.db2.gz FSXXQLGUQPJYMN-PBHICJAKSA-N 1 0 305.422 2.378 10 30 DEEERO C[NH+]1CCN(/C=N/c2nc3ccccc3nc2N2CCCC2)CC1 ZINC000003289768 181000907 /nfs/dbraw/zinc/00/09/07/181000907.db2.gz ZERTYQHUJSLEBI-XMHGGMMESA-N 1 0 324.432 2.137 10 30 DEEERO C=CCCC[C@H](C)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000091514099 355599881 /nfs/dbraw/zinc/59/98/81/355599881.db2.gz PXKYNSHECRYMFV-AWEZNQCLSA-N 1 0 302.422 2.047 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC[NH2+]C(C)C ZINC000156371326 355951948 /nfs/dbraw/zinc/95/19/48/355951948.db2.gz XTJTXCANCLEMPK-UHFFFAOYSA-N 1 0 305.378 2.498 10 30 DEEERO Cn1cc(C#N)cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000081031949 192217147 /nfs/dbraw/zinc/21/71/47/192217147.db2.gz NBXBXCKPKBPMAR-UHFFFAOYSA-N 1 0 312.373 2.089 10 30 DEEERO CCc1cc(C#CC[NH3+])ccc1N1C(=O)c2ccccc2C1=O ZINC000306222171 356403938 /nfs/dbraw/zinc/40/39/38/356403938.db2.gz VUJAFJZPICAWBU-UHFFFAOYSA-N 1 0 304.349 2.360 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000081538404 192286087 /nfs/dbraw/zinc/28/60/87/192286087.db2.gz MRHBAAUAGDXZMV-KRWDZBQOSA-N 1 0 322.412 2.291 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000581006268 357115390 /nfs/dbraw/zinc/11/53/90/357115390.db2.gz ZSSJCUPDSSPKGV-WHOFXGATSA-N 1 0 302.374 2.259 10 30 DEEERO C=C(C)C[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587971469 357384261 /nfs/dbraw/zinc/38/42/61/357384261.db2.gz XEXIWEPLKIXOEO-UHFFFAOYSA-N 1 0 320.393 2.122 10 30 DEEERO C=CCOCCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594975630 358371973 /nfs/dbraw/zinc/37/19/73/358371973.db2.gz YSRQZBUDDWMESH-UHFFFAOYSA-N 1 0 308.334 2.048 10 30 DEEERO C=CCOCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595079860 358387254 /nfs/dbraw/zinc/38/72/54/358387254.db2.gz ZWPOEWPOSOBRNS-KGLIPLIRSA-N 1 0 308.382 2.457 10 30 DEEERO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595919385 358581292 /nfs/dbraw/zinc/58/12/92/358581292.db2.gz LRUWVIAWISCPOR-NWDGAFQWSA-N 1 0 310.419 2.046 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1ccccc1F)C(C)C ZINC000595690694 358524710 /nfs/dbraw/zinc/52/47/10/358524710.db2.gz HHGIJVVVLGQOIC-OAHLLOKOSA-N 1 0 307.369 2.124 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2ccc(CC(=O)OC)c(F)c2)CCC[NH2+]1 ZINC000595964577 358587237 /nfs/dbraw/zinc/58/72/37/358587237.db2.gz SNCFBFPDLOILON-KRWDZBQOSA-N 1 0 320.364 2.178 10 30 DEEERO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618849210 363616730 /nfs/dbraw/zinc/61/67/30/363616730.db2.gz NJFVTSZHKMDXKH-INIZCTEOSA-N 1 0 300.406 2.139 10 30 DEEERO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627161216 366461177 /nfs/dbraw/zinc/46/11/77/366461177.db2.gz QZCQEFURKVLFIX-JKSUJKDBSA-N 1 0 321.421 2.000 10 30 DEEERO C=CCOCCC[NH2+]Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598645777 359275008 /nfs/dbraw/zinc/27/50/08/359275008.db2.gz IAPCFGKOVNJZDS-UHFFFAOYSA-N 1 0 306.406 2.293 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@@H]21 ZINC000599653443 359558393 /nfs/dbraw/zinc/55/83/93/359558393.db2.gz NYLGWIDAELKIBU-PMPSAXMXSA-N 1 0 322.449 2.075 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599940390 359623645 /nfs/dbraw/zinc/62/36/45/359623645.db2.gz ONHWJOAIIFZRQB-YOEHRIQHSA-N 1 0 312.417 2.396 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188154515 200202052 /nfs/dbraw/zinc/20/20/52/200202052.db2.gz KCRJNNKXIIJWIQ-HOTGVXAUSA-N 1 0 322.474 2.180 10 30 DEEERO C=C(C)C[C@H](NC1CC[NH+](Cc2ccccn2)CC1)C(=O)OC ZINC000602735286 360525707 /nfs/dbraw/zinc/52/57/07/360525707.db2.gz UEQNLOVJPWBICI-KRWDZBQOSA-N 1 0 317.433 2.143 10 30 DEEERO C=CC[NH+]1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 ZINC000602968831 360648138 /nfs/dbraw/zinc/64/81/38/360648138.db2.gz QNEXJXJFGJBUJF-UHFFFAOYSA-N 1 0 314.336 2.215 10 30 DEEERO C[NH+](C)CCn1cc(NC(=O)c2ccc(Cl)c(C#N)c2)cn1 ZINC000611487130 361608438 /nfs/dbraw/zinc/60/84/38/361608438.db2.gz AOSLWKPOIYPBQG-UHFFFAOYSA-N 1 0 317.780 2.222 10 30 DEEERO CC1(C#N)CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000611553578 361629036 /nfs/dbraw/zinc/62/90/36/361629036.db2.gz AILMJGWRDOSYBD-MRXNPFEDSA-N 1 0 313.401 2.118 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000623714213 365142565 /nfs/dbraw/zinc/14/25/65/365142565.db2.gz VCGGWQLZQCXROO-INIZCTEOSA-N 1 0 324.513 2.162 10 30 DEEERO C=CCCCC[C@H](C)[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000624082152 365280445 /nfs/dbraw/zinc/28/04/45/365280445.db2.gz NSMLZZBYUNNOJF-WMZOPIPTSA-N 1 0 310.482 2.327 10 30 DEEERO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624115210 365293805 /nfs/dbraw/zinc/29/38/05/365293805.db2.gz QGRRYFOXWPBGAN-HUUCEWRRSA-N 1 0 314.437 2.428 10 30 DEEERO C=C(C)C[N@@H+](C)CCC(=O)NCc1ccc(OC)cc1OC ZINC000450705500 242125048 /nfs/dbraw/zinc/12/50/48/242125048.db2.gz XKUQCLBBFAWWGF-UHFFFAOYSA-N 1 0 306.406 2.218 10 30 DEEERO C=CCNC(=O)c1ccc(N2CCC(CC)([NH+](C)C)CC2)nc1 ZINC000631477492 368245600 /nfs/dbraw/zinc/24/56/00/368245600.db2.gz FDKKJNOKPBLSTD-UHFFFAOYSA-N 1 0 316.449 2.308 10 30 DEEERO Cc1cscc1C(=O)NCc1cc(C#CC[NH3+])ccc1F ZINC000094248531 193354321 /nfs/dbraw/zinc/35/43/21/193354321.db2.gz ZLHFPSRAGZLWLK-UHFFFAOYSA-N 1 0 302.374 2.436 10 30 DEEERO [NH3+]CC#Cc1cccc(O[C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000094408533 193367580 /nfs/dbraw/zinc/36/75/80/193367580.db2.gz WFGXVHRLOXLTNJ-IRXDYDNUSA-N 1 0 303.427 2.430 10 30 DEEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(C#CCO)s1 ZINC000094441017 193370480 /nfs/dbraw/zinc/37/04/80/193370480.db2.gz JRIMBRZLZHTPCB-LSDHHAIUSA-N 1 0 304.459 2.151 10 30 DEEERO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(C#N)cc1F ZINC000453285953 245058800 /nfs/dbraw/zinc/05/88/00/245058800.db2.gz IFFCSSMZONBNFK-ZFWWWQNUSA-N 1 0 305.397 2.195 10 30 DEEERO CC(C)C[C@@H](C)N(C)S(=O)(=O)c1ccccc1C#CC[NH3+] ZINC000042598223 183289622 /nfs/dbraw/zinc/28/96/22/183289622.db2.gz IZDHCOMETZQJQE-CQSZACIVSA-N 1 0 308.447 2.052 10 30 DEEERO C#CCNC(=O)[C@H](C)Oc1ccc(C[C@H]([NH3+])CC)cc1Cl ZINC000043492413 183366833 /nfs/dbraw/zinc/36/68/33/183366833.db2.gz FRNBSNWNHVJVJS-WCQYABFASA-N 1 0 308.809 2.137 10 30 DEEERO COCCC[NH+]1[C@H](C)CN(C(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000062180880 184213904 /nfs/dbraw/zinc/21/39/04/184213904.db2.gz PRNJNVINYOEUMX-HUUCEWRRSA-N 1 0 315.417 2.130 10 30 DEEERO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CCC(C)(C)O2)c1 ZINC000262432954 532965557 /nfs/dbraw/zinc/96/55/57/532965557.db2.gz KIERCZOJXGKVDL-LBPRGKRZSA-N 1 0 307.394 2.388 10 30 DEEERO CN(CCC[NH+](C)C)C(=O)CSCc1ccc(C#N)cc1 ZINC000540515842 285119473 /nfs/dbraw/zinc/11/94/73/285119473.db2.gz OKFGIOSPNIPSMI-UHFFFAOYSA-N 1 0 305.447 2.202 10 30 DEEERO C=C[C@](C)(C[NH2+]CCC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000158787785 197301072 /nfs/dbraw/zinc/30/10/72/197301072.db2.gz QGDXQDPRCYYQQY-CABCVRRESA-N 1 0 302.484 2.240 10 30 DEEERO N#Cc1cc(C(F)(F)F)ccc1NC(=O)[C@@H]1CSCC[NH2+]1 ZINC000158374004 197267507 /nfs/dbraw/zinc/26/75/07/197267507.db2.gz AMBKNNCJAYZCGV-NSHDSACASA-N 1 0 315.320 2.221 10 30 DEEERO [NH3+]CC#Cc1cc(Cl)ccc1NC(=O)NCC(F)(F)F ZINC000158105021 197243754 /nfs/dbraw/zinc/24/37/54/197243754.db2.gz XWZFLKDAWGLRJA-UHFFFAOYSA-N 1 0 305.687 2.334 10 30 DEEERO [NH3+]CC#Cc1ccc(Cl)cc1NC(=O)NCC(F)(F)F ZINC000158105187 197243380 /nfs/dbraw/zinc/24/33/80/197243380.db2.gz ZHWSDLUWJPPWJO-UHFFFAOYSA-N 1 0 305.687 2.334 10 30 DEEERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1cc(Br)ccc1C#N ZINC000124567504 195655337 /nfs/dbraw/zinc/65/53/37/195655337.db2.gz QVQXUILQZXBOET-IRUJWGPZSA-N 1 0 306.207 2.365 10 30 DEEERO C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)Oc1cccc(Cl)c1 ZINC000262428485 533360848 /nfs/dbraw/zinc/36/08/48/533360848.db2.gz DFXKZWHNDPRZSY-NWDGAFQWSA-N 1 0 311.813 2.143 10 30 DEEERO Cn1cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc1C#N ZINC000377704435 133342204 /nfs/dbraw/zinc/34/22/04/133342204.db2.gz RXRGZDQFCXMEIC-MJGOQNOKSA-N 1 0 309.413 2.495 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000179288006 144872547 /nfs/dbraw/zinc/87/25/47/144872547.db2.gz RXLOPCBBMZQPEI-UHFFFAOYSA-N 1 0 302.422 2.091 10 30 DEEERO N#Cc1cccc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189721183 145033023 /nfs/dbraw/zinc/03/30/23/145033023.db2.gz YBHQYOHGGKFYLS-UHFFFAOYSA-N 1 0 307.401 2.481 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccc(C#N)c2)C1 ZINC000247487711 145139305 /nfs/dbraw/zinc/13/93/05/145139305.db2.gz WRJDVJZZVRLZGC-CZUORRHYSA-N 1 0 300.406 2.086 10 30 DEEERO N#Cc1ccccc1/C=C/C(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000374377098 148238073 /nfs/dbraw/zinc/23/80/73/148238073.db2.gz ZFWHOIXHQLMFKK-DVBCCOPCSA-N 1 0 318.380 2.140 10 30 DEEERO N#Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000374724206 148283231 /nfs/dbraw/zinc/28/32/31/148283231.db2.gz VBLIKGHQTFGZJD-IRXDYDNUSA-N 1 0 300.402 2.216 10 30 DEEERO C#CCOc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000113338301 401776511 /nfs/dbraw/zinc/77/65/11/401776511.db2.gz HONDTHRQKMSDSW-KRWDZBQOSA-N 1 0 322.412 2.247 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C#N)c(C)n2)[C@H](C)C1 ZINC000076478504 401796091 /nfs/dbraw/zinc/79/60/91/401796091.db2.gz OWJKSUZXFOAQRQ-WBMJQRKESA-N 1 0 300.406 2.064 10 30 DEEERO CC(C)[C@@H](CNCc1cnc2ccc(C#N)cn12)[NH+]1CCCC1 ZINC000123261561 402118434 /nfs/dbraw/zinc/11/84/34/402118434.db2.gz AXKYJJGZRPRITL-QGZVFWFLSA-N 1 0 311.433 2.416 10 30 DEEERO C[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)N1CCC(C)CC1 ZINC000123495445 402130820 /nfs/dbraw/zinc/13/08/20/402130820.db2.gz UUAWFBZKGSHRDL-OAHLLOKOSA-N 1 0 311.433 2.416 10 30 DEEERO COc1ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1F ZINC000102699528 402170849 /nfs/dbraw/zinc/17/08/49/402170849.db2.gz NTWDPRFMSPANFB-APPDUMDISA-N 1 0 319.380 2.293 10 30 DEEERO CC[C@H](O)C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177194920 402379884 /nfs/dbraw/zinc/37/98/84/402379884.db2.gz NGEQTNOZAOWAKD-KRWDZBQOSA-N 1 0 306.837 2.080 10 30 DEEERO CN(CC1CC[NH+](C)CC1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000186631328 402449886 /nfs/dbraw/zinc/44/98/86/402449886.db2.gz CRUDDJUVOIERCT-UHFFFAOYSA-N 1 0 311.429 2.390 10 30 DEEERO C=CCC(CC=C)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000163065736 402440885 /nfs/dbraw/zinc/44/08/85/402440885.db2.gz KSOGSORXSXELGB-OAHLLOKOSA-N 1 0 308.466 2.306 10 30 DEEERO C=C(C)COCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245667421 402477894 /nfs/dbraw/zinc/47/78/94/402477894.db2.gz RFKDPEXKQRNEGP-IRXDYDNUSA-N 1 0 317.433 2.324 10 30 DEEERO C[N@@H+]1CCC[C@H]2CN(Cc3cnc4ccc(C#N)cn34)CC[C@H]21 ZINC000245735122 402484307 /nfs/dbraw/zinc/48/43/07/402484307.db2.gz FOPOLLCFXDBKBA-DOTOQJQBSA-N 1 0 309.417 2.122 10 30 DEEERO C=CCCC[C@@H](C)NC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000245869167 402492542 /nfs/dbraw/zinc/49/25/42/402492542.db2.gz JBLZEGYNBZTIFH-CVEARBPZSA-N 1 0 311.470 2.483 10 30 DEEERO CO[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@H]1C ZINC000189261588 402533143 /nfs/dbraw/zinc/53/31/43/402533143.db2.gz XTYCYLLUAFFIKE-CABCVRRESA-N 1 0 307.438 2.028 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCCOC1)C(C)C ZINC000171597211 402599580 /nfs/dbraw/zinc/59/95/80/402599580.db2.gz FEGQWPSUCQXTTM-CVEARBPZSA-N 1 0 309.454 2.163 10 30 DEEERO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000180094974 402607022 /nfs/dbraw/zinc/60/70/22/402607022.db2.gz UTHVHTSEBHYRRZ-CHWSQXEVSA-N 1 0 302.378 2.145 10 30 DEEERO Cc1oc(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c(C#N)c1C ZINC000249541113 402634018 /nfs/dbraw/zinc/63/40/18/402634018.db2.gz DYVYNCFBCVAABG-PIGZYNQJSA-N 1 0 319.405 2.190 10 30 DEEERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000181559111 402649813 /nfs/dbraw/zinc/64/98/13/402649813.db2.gz HDDBARRYIHFQBT-WBVHZDCISA-N 1 0 317.433 2.086 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000183011035 402733151 /nfs/dbraw/zinc/73/31/51/402733151.db2.gz ZUFXGFPUZQWEOK-KRWDZBQOSA-N 1 0 319.449 2.263 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cccc(C#N)c1 ZINC000175048057 402774102 /nfs/dbraw/zinc/77/41/02/402774102.db2.gz BZARTZUJCWETQT-IAGOWNOFSA-N 1 0 312.417 2.055 10 30 DEEERO C=CCCCC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000175661951 402823759 /nfs/dbraw/zinc/82/37/59/402823759.db2.gz VLIVSHIZLVTOKW-UHFFFAOYSA-N 1 0 316.449 2.148 10 30 DEEERO N#Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)ccn1 ZINC000195025626 402827605 /nfs/dbraw/zinc/82/76/05/402827605.db2.gz BCSLXLNAIYNPPF-HNNXBMFYSA-N 1 0 310.357 2.113 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000184263140 402831412 /nfs/dbraw/zinc/83/14/12/402831412.db2.gz CYSGNRAZFPNDOL-JTQLQIEISA-N 1 0 316.195 2.190 10 30 DEEERO N#Cc1ccc(OCCC[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000195315319 402841342 /nfs/dbraw/zinc/84/13/42/402841342.db2.gz UIMWDWUFZWAKGP-UHFFFAOYSA-N 1 0 311.389 2.256 10 30 DEEERO N#Cc1ccnc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000283778364 403222771 /nfs/dbraw/zinc/22/27/71/403222771.db2.gz SLRZZBZZUIMNAO-RHSMWYFYSA-N 1 0 310.401 2.042 10 30 DEEERO N#Cc1cc(F)ccc1N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000301743954 403673679 /nfs/dbraw/zinc/67/36/79/403673679.db2.gz ZPPAMUBPNPCRPM-HOTGVXAUSA-N 1 0 303.381 2.123 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](O)Cc2ccccc2)CC1 ZINC000362807822 403990449 /nfs/dbraw/zinc/99/04/49/403990449.db2.gz IKKCEVUKZCWWDI-SFHVURJKSA-N 1 0 316.445 2.137 10 30 DEEERO C=CCOCCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000348051754 404022702 /nfs/dbraw/zinc/02/27/02/404022702.db2.gz MYKMRHAMZZCPLX-GFCCVEGCSA-N 1 0 315.410 2.473 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@H](C(=O)NC)C(C)C)cc1OC ZINC000362955668 404024774 /nfs/dbraw/zinc/02/47/74/404024774.db2.gz SLTIMFHHZRCZBT-INIZCTEOSA-N 1 0 306.406 2.120 10 30 DEEERO CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3ccc(CO)o3)C2)n1 ZINC000328633670 404120632 /nfs/dbraw/zinc/12/06/32/404120632.db2.gz STDYMJVFOLHQKG-LBPRGKRZSA-N 1 0 304.350 2.023 10 30 DEEERO CNC(=O)C1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000329101074 404231239 /nfs/dbraw/zinc/23/12/39/404231239.db2.gz DWISKZYALLGBRP-YMAMQOFZSA-N 1 0 322.453 2.216 10 30 DEEERO CC(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2Cn2ccnc2)CCO1 ZINC000329136686 404241447 /nfs/dbraw/zinc/24/14/47/404241447.db2.gz HDPYOSCBYDGEDZ-OAGGEKHMSA-N 1 0 320.437 2.465 10 30 DEEERO CC(=O)N1CCCC[C@@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329199834 404262958 /nfs/dbraw/zinc/26/29/58/404262958.db2.gz VYHLOCBQJSHKQM-WTXIUTQJSA-N 1 0 307.438 2.359 10 30 DEEERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000329439616 404336470 /nfs/dbraw/zinc/33/64/70/404336470.db2.gz JRBFGYFXXBONMG-NUEKZKHPSA-N 1 0 320.437 2.329 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000355515834 404346945 /nfs/dbraw/zinc/34/69/45/404346945.db2.gz PUZGIMIBEDSHHY-MRXNPFEDSA-N 1 0 315.417 2.287 10 30 DEEERO CCc1nc(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cs1 ZINC000329709633 404429815 /nfs/dbraw/zinc/42/98/15/404429815.db2.gz NEHLMIOLOGSJKJ-NSHDSACASA-N 1 0 308.451 2.360 10 30 DEEERO C=CC(C)(C)c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000297112366 404455270 /nfs/dbraw/zinc/45/52/70/404455270.db2.gz YCFMGUMERUWMCD-UHFFFAOYSA-N 1 0 313.405 2.347 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000291641683 404460144 /nfs/dbraw/zinc/46/01/44/404460144.db2.gz BPJMMEZFTWJDDS-AEFFLSMTSA-N 1 0 312.417 2.397 10 30 DEEERO C=CCn1c(CC(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000351174083 404525790 /nfs/dbraw/zinc/52/57/90/404525790.db2.gz XFWOGVPOAZVLKS-HUUCEWRRSA-N 1 0 303.454 2.336 10 30 DEEERO Cc1nnsc1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000330204840 404585973 /nfs/dbraw/zinc/58/59/73/404585973.db2.gz BZVLUCQLMIYCFS-CYBMUJFWSA-N 1 0 323.466 2.211 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351474842 404590097 /nfs/dbraw/zinc/59/00/97/404590097.db2.gz HJLQKGLNELNPTO-QGZVFWFLSA-N 1 0 319.405 2.038 10 30 DEEERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330226881 404593540 /nfs/dbraw/zinc/59/35/40/404593540.db2.gz URCUKYNMDFTVEP-SQWLQELKSA-N 1 0 320.437 2.329 10 30 DEEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000374063520 404682924 /nfs/dbraw/zinc/68/29/24/404682924.db2.gz BVYKYGWMUKTIMB-BNEJOLLZSA-N 1 0 300.402 2.481 10 30 DEEERO C=CCN(CCOC)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000358690146 404771491 /nfs/dbraw/zinc/77/14/91/404771491.db2.gz NPDCEEMRNNACKP-QGZVFWFLSA-N 1 0 319.449 2.003 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000451319020 404952488 /nfs/dbraw/zinc/95/24/88/404952488.db2.gz GMIBIZGMSGWOSB-INIZCTEOSA-N 1 0 322.412 2.149 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000424174285 405029776 /nfs/dbraw/zinc/02/97/76/405029776.db2.gz OBPSERDYVRRXMZ-WMZOPIPTSA-N 1 0 302.418 2.204 10 30 DEEERO N#Cc1cnccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000367436793 405049097 /nfs/dbraw/zinc/04/90/97/405049097.db2.gz SXTROEVDBARGRK-GOSISDBHSA-N 1 0 322.412 2.078 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000424298215 405061023 /nfs/dbraw/zinc/06/10/23/405061023.db2.gz SDUDLDNPSQWYDM-WMZOPIPTSA-N 1 0 301.434 2.227 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418363063 405125360 /nfs/dbraw/zinc/12/53/60/405125360.db2.gz VQCLLIRLBIPVSP-HOTGVXAUSA-N 1 0 305.422 2.046 10 30 DEEERO C[C@H]1[C@H](NC(=O)c2ccc(C#N)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000452126115 405185408 /nfs/dbraw/zinc/18/54/08/405185408.db2.gz QJYPQQYGDBRVGG-WMLDXEAASA-N 1 0 322.412 2.290 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000425849679 405324262 /nfs/dbraw/zinc/32/42/62/405324262.db2.gz FUVJXDPXCXCESV-HOTGVXAUSA-N 1 0 323.481 2.341 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420349932 405328229 /nfs/dbraw/zinc/32/82/29/405328229.db2.gz FFTGAWHWLDKUSJ-GUTXKFCHSA-N 1 0 307.463 2.073 10 30 DEEERO C[NH+]1CCC(C)(CNC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000442719620 405336098 /nfs/dbraw/zinc/33/60/98/405336098.db2.gz IXKAEUZZZSRFRW-UHFFFAOYSA-N 1 0 306.454 2.347 10 30 DEEERO CC(C)C[NH+]1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000442717905 405336237 /nfs/dbraw/zinc/33/62/37/405336237.db2.gz FZYXFGBRVSDRJV-UHFFFAOYSA-N 1 0 306.454 2.300 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000425570577 405304131 /nfs/dbraw/zinc/30/41/31/405304131.db2.gz HBVKHQLNKMBEHO-ULQDDVLXSA-N 1 0 317.433 2.180 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000454554861 405363461 /nfs/dbraw/zinc/36/34/61/405363461.db2.gz XKZKQYNKZJJIEO-GFIVTLFCSA-N 1 0 315.461 2.490 10 30 DEEERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)n2C)C1 ZINC000448774990 405446762 /nfs/dbraw/zinc/44/67/62/405446762.db2.gz PAVWCNDYASCDMK-HOCLYGCPSA-N 1 0 322.412 2.462 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000448774682 405447056 /nfs/dbraw/zinc/44/70/56/405447056.db2.gz MBPQGTZRTHCRMT-UHFFFAOYSA-N 1 0 316.449 2.481 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000556330674 405474992 /nfs/dbraw/zinc/47/49/92/405474992.db2.gz IQNVTBORPAQUIR-MAZHCROVSA-N 1 0 306.381 2.326 10 30 DEEERO C=CC[C@@]1(C(=O)NC[C@H](OC)c2cccc(OC)c2)CCC[NH2+]1 ZINC000638452683 405477771 /nfs/dbraw/zinc/47/77/71/405477771.db2.gz BHRIPISJPIOYLJ-WMZOPIPTSA-N 1 0 318.417 2.197 10 30 DEEERO C=CC[C@]1(C(=O)NC[C@]2(C)COc3ccccc3O2)CCC[NH2+]1 ZINC000638461045 405483204 /nfs/dbraw/zinc/48/32/04/405483204.db2.gz RFYAGHKIEFCDIG-QZTJIDSGSA-N 1 0 316.401 2.031 10 30 DEEERO C=C(C)COc1cc(C[N@H+](C[C@@H](O)CO)C(C)C)ccc1OC ZINC000421407618 405493321 /nfs/dbraw/zinc/49/33/21/405493321.db2.gz JOBAUNHKNCZQKB-MRXNPFEDSA-N 1 0 323.433 2.214 10 30 DEEERO C=CCc1cc(C[NH2+]CC[C@@](C)(O)COC)cc(OC)c1O ZINC000449383073 405533919 /nfs/dbraw/zinc/53/39/19/405533919.db2.gz DZHSJZLRRCDACR-QGZVFWFLSA-N 1 0 309.406 2.006 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000633282442 405548210 /nfs/dbraw/zinc/54/82/10/405548210.db2.gz GSHOUNSFGFSZNW-CABCVRRESA-N 1 0 309.454 2.236 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000580570532 405647552 /nfs/dbraw/zinc/64/75/52/405647552.db2.gz BWLGTPFTEQCVKI-INIZCTEOSA-N 1 0 323.481 2.182 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](CO)c1sccc1C ZINC000494665842 405742597 /nfs/dbraw/zinc/74/25/97/405742597.db2.gz JXTLPTBOPZFRIE-KGLIPLIRSA-N 1 0 308.447 2.269 10 30 DEEERO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1c1cccnc1 ZINC000583620147 405776461 /nfs/dbraw/zinc/77/64/61/405776461.db2.gz HDOFGOFFGHPGEE-AEFFLSMTSA-N 1 0 324.359 2.154 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000594044806 405885539 /nfs/dbraw/zinc/88/55/39/405885539.db2.gz RSCPEWGSIZVWOO-WDEREUQCSA-N 1 0 317.380 2.190 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N([C@H](C)C[N@H+](C)Cc2ccccc2)C1=O ZINC000630979591 405950232 /nfs/dbraw/zinc/95/02/32/405950232.db2.gz RESYIZNZMDWHDF-GDBMZVCRSA-N 1 0 315.417 2.394 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000639347710 406058509 /nfs/dbraw/zinc/05/85/09/406058509.db2.gz KTNJFOYFBMHHOA-LLVKDONJSA-N 1 0 314.838 2.385 10 30 DEEERO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634718011 406243718 /nfs/dbraw/zinc/24/37/18/406243718.db2.gz VCOOMIBZFCYJOL-ROUUACIJSA-N 1 0 319.445 2.056 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)CC1 ZINC000527730918 406732856 /nfs/dbraw/zinc/73/28/56/406732856.db2.gz RZWSCGIZKSFGRK-FQLMCAECSA-N 1 0 309.454 2.138 10 30 DEEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643620791 407018365 /nfs/dbraw/zinc/01/83/65/407018365.db2.gz NOFKSVHXKBKGKQ-LLVKDONJSA-N 1 0 314.838 2.152 10 30 DEEERO C=CCNc1ncc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)s1 ZINC000128931359 196005444 /nfs/dbraw/zinc/00/54/44/196005444.db2.gz BXGCWXKEPFPHOU-NWDGAFQWSA-N 1 0 306.435 2.050 10 30 DEEERO C[C@@H]1C[NH2+]C[C@@H](COc2ccc(Br)cc2C#N)O1 ZINC000133807137 196337025 /nfs/dbraw/zinc/33/70/25/196337025.db2.gz GPNLPIVQKNJMFN-SKDRFNHKSA-N 1 0 311.179 2.076 10 30 DEEERO C=CCCCN(C)S(=O)(=O)c1ccc(C[NH2+]CCC)o1 ZINC000136042905 196516929 /nfs/dbraw/zinc/51/69/29/196516929.db2.gz NSLDQJTYEAXWTC-UHFFFAOYSA-N 1 0 300.424 2.366 10 30 DEEERO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000188224109 225013356 /nfs/dbraw/zinc/01/33/56/225013356.db2.gz JPDLBOKMXOKBLS-HNNXBMFYSA-N 1 0 323.462 2.121 10 30 DEEERO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195348082 225203126 /nfs/dbraw/zinc/20/31/26/225203126.db2.gz PSWFJWUJMHTEHV-STQMWFEESA-N 1 0 306.435 2.083 10 30 DEEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000245786286 225223092 /nfs/dbraw/zinc/22/30/92/225223092.db2.gz VIIFIQMEKYWBMX-GDBMZVCRSA-N 1 0 311.389 2.406 10 30 DEEERO COc1cccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)n1 ZINC000262477227 225273445 /nfs/dbraw/zinc/27/34/45/225273445.db2.gz HKNDLDLOAHNRSW-CQSZACIVSA-N 1 0 312.373 2.018 10 30 DEEERO Cc1c2ccccc2n(C)c1CNC(=[NH2+])N1CCSCC1 ZINC000262491611 225275466 /nfs/dbraw/zinc/27/54/66/225275466.db2.gz VDFHLPCSAKYQRS-UHFFFAOYSA-N 1 0 302.447 2.350 10 30 DEEERO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC12CCC(CC1)C2 ZINC000296810646 226237655 /nfs/dbraw/zinc/23/76/55/226237655.db2.gz QDFGYQLYAPWHKQ-KSTDHSDQSA-N 1 0 311.433 2.439 10 30 DEEERO C=CCNc1ncc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)s1 ZINC000622057284 422536442 /nfs/dbraw/zinc/53/64/42/422536442.db2.gz XBPJMDQBXKYHAC-UHFFFAOYSA-N 1 0 320.462 2.299 10 30 DEEERO Cc1cc(C#N)nc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000367720809 424869376 /nfs/dbraw/zinc/86/93/76/424869376.db2.gz MIWJXOVZZYHNAW-QGZVFWFLSA-N 1 0 321.428 2.981 10 30 DEEERO Cc1cc(C#N)nc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000557630311 424885248 /nfs/dbraw/zinc/88/52/48/424885248.db2.gz JSAVHURQWUITPY-HNNXBMFYSA-N 1 0 315.808 3.025 10 30 DEEERO N#Cc1cc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)ncn1 ZINC000379661185 424907631 /nfs/dbraw/zinc/90/76/31/424907631.db2.gz DOTJMNHJKBTTTQ-KRWDZBQOSA-N 1 0 307.401 2.815 10 30 DEEERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccnc(C#N)c2)C1 ZINC000192851709 267086997 /nfs/dbraw/zinc/08/69/97/267086997.db2.gz YBDNJICVBKMRQF-OKILXGFUSA-N 1 0 314.433 2.440 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000284351922 276859031 /nfs/dbraw/zinc/85/90/31/276859031.db2.gz SDPYSZACEKABAL-PKOBYXMFSA-N 1 0 315.461 2.446 10 30 DEEERO C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000193694565 277137596 /nfs/dbraw/zinc/13/75/96/277137596.db2.gz QIIREPMTIDNWJA-SJORKVTESA-N 1 0 306.369 2.128 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](O)CC[C@@H]1C)C(C)C ZINC000422185193 277851050 /nfs/dbraw/zinc/85/10/50/277851050.db2.gz YKDLCEUABNJZJG-YESZJQIVSA-N 1 0 323.481 2.240 10 30 DEEERO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000442732457 279034398 /nfs/dbraw/zinc/03/43/98/279034398.db2.gz YMQOIGLEMTXNIG-GPANFISMSA-N 1 0 306.454 2.300 10 30 DEEERO CC[N@@H+]1CCC[C@@H](CNC(=O)NCC2CCC(C#N)CC2)C1 ZINC000518472778 332061148 /nfs/dbraw/zinc/06/11/48/332061148.db2.gz MMXZKEAWDBNGIT-GPANFISMSA-N 1 0 306.454 2.347 10 30 DEEERO C=CCCS(=O)(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000119477939 333351947 /nfs/dbraw/zinc/35/19/47/333351947.db2.gz DYJXXBNZPUNVIY-UHFFFAOYSA-N 1 0 323.462 2.146 10 30 DEEERO C=CCCC[C@H](C)[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000521426593 333381179 /nfs/dbraw/zinc/38/11/79/333381179.db2.gz IVMMXKGVEDJSPN-KBPBESRZSA-N 1 0 307.390 2.489 10 30 DEEERO C#CCC(C)(C)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000185419105 337205300 /nfs/dbraw/zinc/20/53/00/337205300.db2.gz HXKXZRILIUKUNN-IYBDPMFKSA-N 1 0 320.477 2.384 10 30 DEEERO C=CCCCN(C)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270739780 337642307 /nfs/dbraw/zinc/64/23/07/337642307.db2.gz UOFPYNQPFFNRNA-UHFFFAOYSA-N 1 0 320.437 2.130 10 30 DEEERO C=CCCc1ccccc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000548806151 341276460 /nfs/dbraw/zinc/27/64/60/341276460.db2.gz ZNLMCMMNCFJZAF-UHFFFAOYSA-N 1 0 317.433 2.154 10 30 DEEERO C[NH+]=C(NCC1CCC1)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000261986536 526351690 /nfs/dbraw/zinc/35/16/90/526351690.db2.gz QFPGOQSVKMMKBI-HNNXBMFYSA-N 1 0 303.454 2.286 10 30 DEEERO C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262283251 526365838 /nfs/dbraw/zinc/36/58/38/526365838.db2.gz WEKAYJQWJVDJKE-SOUVJXGZSA-N 1 0 319.453 2.444 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000341902482 526372373 /nfs/dbraw/zinc/37/23/73/526372373.db2.gz OWDQUSHWCQFUMZ-AWEZNQCLSA-N 1 0 308.447 2.231 10 30 DEEERO C=CCNC(NCc1cn(-c2ccc(F)cc2)nc1C)=[NH+]C ZINC000263244059 526386480 /nfs/dbraw/zinc/38/64/80/526386480.db2.gz MDMRZLMTAHDTSK-UHFFFAOYSA-N 1 0 301.369 2.171 10 30 DEEERO C[NH+]=C(NCc1nnc(C)n1C)N[C@H](C)[C@@H](C)C1CCCCC1 ZINC000261982054 526392802 /nfs/dbraw/zinc/39/28/02/526392802.db2.gz PCHWLRSVOUUWFG-CHWSQXEVSA-N 1 0 320.485 2.393 10 30 DEEERO C[NH+]=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)N1CC[C@@H](COC)C1 ZINC000262682231 526415784 /nfs/dbraw/zinc/41/57/84/526415784.db2.gz TVGNPALTJSIUPJ-TYNCELHUSA-N 1 0 323.387 2.364 10 30 DEEERO C=CCOCC[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000339027428 526770175 /nfs/dbraw/zinc/77/01/75/526770175.db2.gz ZZXILLWAGPCZRM-OAHLLOKOSA-N 1 0 303.406 2.243 10 30 DEEERO C=CCOCC[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000338892157 526771273 /nfs/dbraw/zinc/77/12/73/526771273.db2.gz MKWUMUXFBKUBSB-UHFFFAOYSA-N 1 0 302.418 2.217 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373883318 526846151 /nfs/dbraw/zinc/84/61/51/526846151.db2.gz WOBDRUGYZLSINI-ZGRYLRDCSA-N 1 0 321.465 2.284 10 30 DEEERO C=CC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000368815217 527097268 /nfs/dbraw/zinc/09/72/68/527097268.db2.gz AMOATRAPTLLAGC-ROUUACIJSA-N 1 0 316.445 2.403 10 30 DEEERO C=CC[C@@H]1[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)CCCC1(C)C ZINC000338363217 527119572 /nfs/dbraw/zinc/11/95/72/527119572.db2.gz QUAATYKDPIBFCD-CABCVRRESA-N 1 0 314.495 2.335 10 30 DEEERO C=CCCCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000448044588 527217369 /nfs/dbraw/zinc/21/73/69/527217369.db2.gz VKOLBUBUKWBEHV-UHFFFAOYSA-N 1 0 322.497 2.153 10 30 DEEERO C#Cc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000296623002 527435286 /nfs/dbraw/zinc/43/52/86/527435286.db2.gz WQQGSZZHKYRKCJ-AYHJJNSGSA-N 1 0 311.429 2.482 10 30 DEEERO C=CCC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)C1CC1 ZINC000353970401 527485632 /nfs/dbraw/zinc/48/56/32/527485632.db2.gz DJOBBIHLDHONLG-GJZGRUSLSA-N 1 0 300.468 2.135 10 30 DEEERO CC(C)[NH2+]C1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000442725495 527731947 /nfs/dbraw/zinc/73/19/47/527731947.db2.gz VEVVWMFPURPILV-UHFFFAOYSA-N 1 0 306.454 2.488 10 30 DEEERO CCCCCCCS(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000249441583 528136037 /nfs/dbraw/zinc/13/60/37/528136037.db2.gz FNWXBWHKUVPICX-LSDHHAIUSA-N 1 0 302.484 2.313 10 30 DEEERO C[C@]1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCCc2ccccc21 ZINC000091517443 625088753 /nfs/dbraw/zinc/08/87/53/625088753.db2.gz SHPIFNDGFQYDJY-MAUKXSAKSA-N 1 0 301.434 2.364 10 30 DEEERO C#CCOc1ccccc1C[NH2+]CCNC(=O)c1ccccc1 ZINC000065979471 625921928 /nfs/dbraw/zinc/92/19/28/625921928.db2.gz NVLUVLRCHMTYRS-UHFFFAOYSA-N 1 0 308.381 2.218 10 30 DEEERO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000125782065 634771524 /nfs/dbraw/zinc/77/15/24/634771524.db2.gz JIXHDESSXZNMKY-MNOVXSKESA-N 1 0 314.307 2.374 10 30 DEEERO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735311513 633501077 /nfs/dbraw/zinc/50/10/77/633501077.db2.gz ROFKYHLKKDOVHB-LBPRGKRZSA-N 1 0 321.808 2.200 10 30 DEEERO C#CCSCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000154323284 636199701 /nfs/dbraw/zinc/19/97/01/636199701.db2.gz IIQTWCUZHJWOAD-UHFFFAOYSA-N 1 0 323.437 2.053 10 30 DEEERO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746742154 638374540 /nfs/dbraw/zinc/37/45/40/638374540.db2.gz POMQUXAVFSAZHK-ZDUSSCGKSA-N 1 0 318.421 2.096 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1c(C)nn(C)c1Cl ZINC000121310861 639407794 /nfs/dbraw/zinc/40/77/94/639407794.db2.gz PVUVCBJXVWSDCT-NSHDSACASA-N 1 0 311.813 2.272 10 30 DEEERO C=CC[NH+]1CCC(Nc2nc(N(C)C)nc3[nH]c(C)cc32)CC1 ZINC000223901334 646505570 /nfs/dbraw/zinc/50/55/70/646505570.db2.gz SIDZMZVYYVYXAL-UHFFFAOYSA-N 1 0 314.437 2.395 10 30 DEEERO C#CCN(CC#C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000076185583 649117134 /nfs/dbraw/zinc/11/71/34/649117134.db2.gz UTKGGQVTYUEUCX-CYBMUJFWSA-N 1 0 312.196 2.302 10 30 DEEERO [NH2+]=C(NCCCCOCc1ccccc1)N1CCSCC1 ZINC000104183881 684059326 /nfs/dbraw/zinc/05/93/26/684059326.db2.gz NCVCSQYDQYILTF-UHFFFAOYSA-N 1 0 307.463 2.347 10 30 DEEERO C#CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)cc1 ZINC000120082090 684091628 /nfs/dbraw/zinc/09/16/28/684091628.db2.gz VLCBHLHHDOKKTN-JKSUJKDBSA-N 1 0 300.402 2.222 10 30 DEEERO CN(C)[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccco1 ZINC000123153102 684122869 /nfs/dbraw/zinc/12/28/69/684122869.db2.gz KJPFARYOUKZXLO-OAHLLOKOSA-N 1 0 309.373 2.191 10 30 DEEERO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2OCC#N)CC[N@@H+]1C ZINC000124074002 684131696 /nfs/dbraw/zinc/13/16/96/684131696.db2.gz LETLKFFWSQUZOH-ZIAGYGMSSA-N 1 0 301.390 2.144 10 30 DEEERO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000125012837 684140834 /nfs/dbraw/zinc/14/08/34/684140834.db2.gz WAUGBZBDTVLGQG-NSHDSACASA-N 1 0 315.826 2.007 10 30 DEEERO CCOCC[N@H+](CC)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131152349 684197093 /nfs/dbraw/zinc/19/70/93/684197093.db2.gz PCQUZIYJRRYPGJ-UHFFFAOYSA-N 1 0 313.405 2.441 10 30 DEEERO CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCC2=CCCC2)CC1 ZINC000133910356 684223901 /nfs/dbraw/zinc/22/39/01/684223901.db2.gz WDWYBXAWAGJGBJ-UHFFFAOYSA-N 1 0 322.453 2.354 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000156482750 684289547 /nfs/dbraw/zinc/28/95/47/684289547.db2.gz VURPIKTUAXAXIW-CQSZACIVSA-N 1 0 318.373 2.414 10 30 DEEERO COCCOc1ncccc1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000303878938 685237642 /nfs/dbraw/zinc/23/76/42/685237642.db2.gz GFFOPYKHPNBXON-UHFFFAOYSA-N 1 0 314.389 2.342 10 30 DEEERO [NH2+]=C(NCCN1CCc2ccccc2C1)NC1CCCCC1 ZINC000303895009 685239062 /nfs/dbraw/zinc/23/90/62/685239062.db2.gz PHTSIQJMOYTKRA-UHFFFAOYSA-N 1 0 300.450 2.282 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405258664 802046187 /nfs/dbraw/zinc/04/61/87/802046187.db2.gz MBJHPPIOQHRBPM-HZSPNIEDSA-N 1 0 310.438 2.349 10 30 DEEERO CN(CCOCC[NH2+]Cc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000705924766 1086626357 /nfs/dbraw/zinc/62/63/57/1086626357.db2.gz XYEBPOKBDPFCOD-UHFFFAOYSA-N 1 0 323.393 2.124 10 30 DEEERO CC[NH+]1CCC(CCNC(=O)N2CCC[C@](C)(C#N)C2)CC1 ZINC000612137041 361755595 /nfs/dbraw/zinc/75/55/95/361755595.db2.gz ZREZUDLDDIBMCE-QGZVFWFLSA-N 1 0 306.454 2.444 10 30 DEEERO C=CCN(C1CC1)S(=O)(=O)c1ccccc1C[NH2+]C1CC1 ZINC000162654777 197581879 /nfs/dbraw/zinc/58/18/79/197581879.db2.gz MTBUEXCYXMOFJM-UHFFFAOYSA-N 1 0 306.431 2.278 10 30 DEEERO N#C[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000612729640 361903003 /nfs/dbraw/zinc/90/30/03/361903003.db2.gz AOOIIXDHTJONCZ-HOTGVXAUSA-N 1 0 301.365 2.381 10 30 DEEERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000090539740 185301707 /nfs/dbraw/zinc/30/17/07/185301707.db2.gz VYYNAJHEWJAGJO-JSGCOSHPSA-N 1 0 307.781 2.165 10 30 DEEERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000090540942 185301813 /nfs/dbraw/zinc/30/18/13/185301813.db2.gz PQKUVSKXJDGSTB-GXTWGEPZSA-N 1 0 307.781 2.165 10 30 DEEERO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000181746292 199346215 /nfs/dbraw/zinc/34/62/15/199346215.db2.gz WTZSQIXGHHOBLE-MOPGFXCFSA-N 1 0 313.445 2.416 10 30 DEEERO CCCO[C@H]1CCCN(C(=O)c2sccc2C#CC[NH3+])C1 ZINC000111541568 185611615 /nfs/dbraw/zinc/61/16/15/185611615.db2.gz YNEPJUQEGHAWPY-AWEZNQCLSA-N 1 0 306.431 2.090 10 30 DEEERO N#C[C@]1(F)CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000615825426 362709059 /nfs/dbraw/zinc/70/90/59/362709059.db2.gz KYCPPLTVVXTBMI-QGZVFWFLSA-N 1 0 301.365 2.360 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000625700665 365874864 /nfs/dbraw/zinc/87/48/64/365874864.db2.gz DRVMGEIFWMATOA-CQSZACIVSA-N 1 0 308.447 2.335 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000625704943 365877048 /nfs/dbraw/zinc/87/70/48/365877048.db2.gz VYLZRWYXGSOIKE-RDJZCZTQSA-N 1 0 318.417 2.283 10 30 DEEERO COc1ccc(C#CCO)cc1C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000133784970 186012002 /nfs/dbraw/zinc/01/20/02/186012002.db2.gz XSFRQXAEHLDZDC-KBPBESRZSA-N 1 0 305.443 2.365 10 30 DEEERO C[C@H]1SCC[N@H+](CCOc2cccc(C#CCO)c2)[C@@H]1C ZINC000133784375 186012189 /nfs/dbraw/zinc/01/21/89/186012189.db2.gz KEKXYVJGFZVTSU-HUUCEWRRSA-N 1 0 305.443 2.235 10 30 DEEERO CC(C)CCCCNS(=O)(=O)c1ccc(C#CC[NH3+])cc1 ZINC000147803568 186042149 /nfs/dbraw/zinc/04/21/49/186042149.db2.gz OCUUQFJEJHJWGX-UHFFFAOYSA-N 1 0 308.447 2.101 10 30 DEEERO [NH3+]CC#Cc1ccsc1CNC(=O)c1ccc(F)c(F)c1 ZINC000148682051 186045532 /nfs/dbraw/zinc/04/55/32/186045532.db2.gz LMLPXKBBAOOWAZ-UHFFFAOYSA-N 1 0 306.337 2.267 10 30 DEEERO C=C[C@@H](CC(=O)N1CC[NH+]([C@H](CC)CO)CC1)c1ccccc1 ZINC000270468418 186399323 /nfs/dbraw/zinc/39/93/23/186399323.db2.gz HDFBSQPVBUBLOP-FUHWJXTLSA-N 1 0 316.445 2.261 10 30 DEEERO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000617010215 362995147 /nfs/dbraw/zinc/99/51/47/362995147.db2.gz KZEUBNFVKYIJFI-CYBMUJFWSA-N 1 0 303.406 2.249 10 30 DEEERO Cc1nnc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cn12 ZINC000329003672 539913269 /nfs/dbraw/zinc/91/32/69/539913269.db2.gz LXRPNBJWTIPVCE-CQSZACIVSA-N 1 0 313.405 2.359 10 30 DEEERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCc2cncnc2C1 ZINC000329571222 539922818 /nfs/dbraw/zinc/92/28/18/539922818.db2.gz URLXBTCEYKMXAG-OAHLLOKOSA-N 1 0 317.437 2.013 10 30 DEEERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000329945585 539932217 /nfs/dbraw/zinc/93/22/17/539932217.db2.gz JDWCGKCHKPMHRI-LSDHHAIUSA-N 1 0 319.453 2.220 10 30 DEEERO Cc1nsc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1C#N ZINC000333815683 539972737 /nfs/dbraw/zinc/97/27/37/539972737.db2.gz HWHFOTOGIIBCCK-YPMHNXCESA-N 1 0 319.434 2.414 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000174533793 198348506 /nfs/dbraw/zinc/34/85/06/198348506.db2.gz MJMARFMKTHHMBL-WMLDXEAASA-N 1 0 314.433 2.301 10 30 DEEERO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000027768728 354095591 /nfs/dbraw/zinc/09/55/91/354095591.db2.gz BKXKTAPGLVSZRO-GJZGRUSLSA-N 1 0 315.417 2.316 10 30 DEEERO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494375 283051851 /nfs/dbraw/zinc/05/18/51/283051851.db2.gz IMMKTSFNOGGZLH-SFHVURJKSA-N 1 0 314.433 2.465 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCC[C@@H]1O)C(C)C ZINC000073710694 354976757 /nfs/dbraw/zinc/97/67/57/354976757.db2.gz MTCHYGGQJZJPGB-IKGGRYGDSA-N 1 0 323.481 2.145 10 30 DEEERO C=CCCC[C@H](C)[NH+]1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000091514293 355599709 /nfs/dbraw/zinc/59/97/09/355599709.db2.gz IAPBRDGWBDNCKF-AWEZNQCLSA-N 1 0 302.484 2.477 10 30 DEEERO C=CCOc1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000093817330 355688841 /nfs/dbraw/zinc/68/88/41/355688841.db2.gz OPYHPCBXISCLIJ-SFHVURJKSA-N 1 0 316.445 2.406 10 30 DEEERO C[C@@H](C#N)CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000182617360 356133545 /nfs/dbraw/zinc/13/35/45/356133545.db2.gz DOUCHLALLUWYFK-RDJZCZTQSA-N 1 0 314.433 2.500 10 30 DEEERO N#Cc1ccnc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000588003194 357387340 /nfs/dbraw/zinc/38/73/40/357387340.db2.gz VMIBYQKYLYQORM-INIZCTEOSA-N 1 0 300.406 2.034 10 30 DEEERO C=CCCC1(CNC(=O)NCC2([NH3+])CCOCC2)CCCC1 ZINC000627146781 366457357 /nfs/dbraw/zinc/45/73/57/366457357.db2.gz AKEXJEBCKSVAJM-UHFFFAOYSA-N 1 0 309.454 2.320 10 30 DEEERO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595919387 358581409 /nfs/dbraw/zinc/58/14/09/358581409.db2.gz LRUWVIAWISCPOR-VXGBXAGGSA-N 1 0 310.419 2.046 10 30 DEEERO C=CCC1([NH2+][C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CCCC1 ZINC000595780291 358547298 /nfs/dbraw/zinc/54/72/98/358547298.db2.gz PPIDSWFCTKZRKO-CQSZACIVSA-N 1 0 322.449 2.408 10 30 DEEERO C=CC[C@]1(C(=O)Nc2cc(C(=O)OC)ccc2F)CCC[NH2+]1 ZINC000595924383 358581681 /nfs/dbraw/zinc/58/16/81/358581681.db2.gz IZKQOEVZIRMUDB-MRXNPFEDSA-N 1 0 306.337 2.249 10 30 DEEERO C=CC[C@@]1(C(=O)N(C)Cc2ccc(C(=O)OC)cc2)CCC[NH2+]1 ZINC000595953263 358586720 /nfs/dbraw/zinc/58/67/20/358586720.db2.gz YXGAYWBNCJNKAP-SFHVURJKSA-N 1 0 316.401 2.130 10 30 DEEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CC1(O)CCC1 ZINC000599283602 359448458 /nfs/dbraw/zinc/44/84/58/359448458.db2.gz ZYEXQMLRXRQQSH-MRXNPFEDSA-N 1 0 320.389 2.249 10 30 DEEERO C=CCN(CCc1ccco1)Cc1cnc(C(=O)OC)cn1 ZINC000599366652 359479500 /nfs/dbraw/zinc/47/95/00/359479500.db2.gz RBTUXEZBEPQUOQ-UHFFFAOYSA-N 1 0 301.346 2.087 10 30 DEEERO C=C(C)C[C@@H](NCc1cn(-c2cc[nH+]cc2)nc1C)C(=O)OC ZINC000602734441 360526094 /nfs/dbraw/zinc/52/60/94/360526094.db2.gz OGWFZFCRZMPJNS-MRXNPFEDSA-N 1 0 314.389 2.173 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602693388 360502561 /nfs/dbraw/zinc/50/25/61/360502561.db2.gz HOLILUBYYQNIAA-WFASDCNBSA-N 1 0 321.421 2.056 10 30 DEEERO N#Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000609240616 361291719 /nfs/dbraw/zinc/29/17/19/361291719.db2.gz WQRLPQQNVCDVFW-JKSUJKDBSA-N 1 0 316.380 2.123 10 30 DEEERO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609557014 361319850 /nfs/dbraw/zinc/31/98/50/361319850.db2.gz IEUVSXJAAXJHIE-OAHLLOKOSA-N 1 0 318.396 2.369 10 30 DEEERO N#Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000193624326 201088998 /nfs/dbraw/zinc/08/89/98/201088998.db2.gz IKXYPULCRUHTRW-YOEHRIQHSA-N 1 0 310.401 2.042 10 30 DEEERO C=CC(C)(C)CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000628317191 366807700 /nfs/dbraw/zinc/80/77/00/366807700.db2.gz ZHWPSCBGIXBADE-UHFFFAOYSA-N 1 0 316.449 2.166 10 30 DEEERO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)C1=O ZINC000619620822 363842778 /nfs/dbraw/zinc/84/27/78/363842778.db2.gz XODWWCQVPCWHAK-LSDHHAIUSA-N 1 0 322.449 2.217 10 30 DEEERO C=CCCC[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000623510066 365056252 /nfs/dbraw/zinc/05/62/52/365056252.db2.gz FPZLHXNWWZXSHM-UHFFFAOYSA-N 1 0 324.384 2.262 10 30 DEEERO C=CCOc1c(Cl)cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1OC ZINC000623661547 365122755 /nfs/dbraw/zinc/12/27/55/365122755.db2.gz XBWYCEHUWDEYGI-HAQNSBGRSA-N 1 0 324.808 2.267 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@@H]2COCCN2C)cc1Cl ZINC000623712030 365142128 /nfs/dbraw/zinc/14/21/28/365142128.db2.gz VVQIXZZPHDXXBZ-CQSZACIVSA-N 1 0 310.825 2.325 10 30 DEEERO C=CC(C)(C)CNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000624155871 365311353 /nfs/dbraw/zinc/31/13/53/365311353.db2.gz HXCNBVLVLQGLBO-UHFFFAOYSA-N 1 0 323.481 2.485 10 30 DEEERO C=CCOc1ccccc1C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000449745855 241016896 /nfs/dbraw/zinc/01/68/96/241016896.db2.gz PKICDXVAJWVHJA-INIZCTEOSA-N 1 0 317.433 2.487 10 30 DEEERO C=CCn1c(C)cc(C(=O)CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1C ZINC000629593140 367266984 /nfs/dbraw/zinc/26/69/84/367266984.db2.gz FPEOZFJRMGWXJR-KDURUIRLSA-N 1 0 315.461 2.405 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(c2cccc(OCC[NH+](C)C)c2)C1=O ZINC000630501955 367692363 /nfs/dbraw/zinc/69/23/63/367692363.db2.gz DDYLRMSONGNCMI-HNNXBMFYSA-N 1 0 317.389 2.018 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc1 ZINC000453614470 245214903 /nfs/dbraw/zinc/21/49/03/245214903.db2.gz FAEFKCAXVSKWSV-DOTOQJQBSA-N 1 0 300.402 2.494 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271690525 209129207 /nfs/dbraw/zinc/12/92/07/209129207.db2.gz IOCFWJAXPBMMOC-ZDUSSCGKSA-N 1 0 315.373 2.117 10 30 DEEERO COc1cccc(NC(=O)Nc2ncc(C#CC[NH3+])s2)c1 ZINC000041093376 183164591 /nfs/dbraw/zinc/16/45/91/183164591.db2.gz JRKIBHGBXCKEML-UHFFFAOYSA-N 1 0 302.359 2.106 10 30 DEEERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(CCC#N)C(C)C)c1 ZINC000042530099 183281085 /nfs/dbraw/zinc/28/10/85/183281085.db2.gz UWTALOZTKCDGAL-CYBMUJFWSA-N 1 0 309.435 2.280 10 30 DEEERO C[C@H]([NH3+])[C@H](c1cc(Br)cs1)N(CC#N)CC#N ZINC000043284878 183350177 /nfs/dbraw/zinc/35/01/77/183350177.db2.gz ORWXDNOZFZZNAZ-GZMMTYOYSA-N 1 0 313.224 2.248 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1F ZINC000043582886 183373566 /nfs/dbraw/zinc/37/35/66/183373566.db2.gz RDMCIWYQCIWLRD-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO CS(=O)(=O)c1cccc(OCc2cc(C#CC[NH3+])cs2)c1 ZINC000043689402 183381074 /nfs/dbraw/zinc/38/10/74/183381074.db2.gz XEVCFMBZYIMFFH-UHFFFAOYSA-N 1 0 321.423 2.041 10 30 DEEERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1cccc(C#N)c1 ZINC000106457182 194217126 /nfs/dbraw/zinc/21/71/26/194217126.db2.gz CYZASRANFRTROV-GOSISDBHSA-N 1 0 307.397 2.347 10 30 DEEERO COCC[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C#N ZINC000062730189 184251148 /nfs/dbraw/zinc/25/11/48/184251148.db2.gz GHNJPNLHEBMZRA-JTQLQIEISA-N 1 0 313.195 2.476 10 30 DEEERO CC#CCCN[C@@H](C[NH3+])c1cc(Br)ccc1OC ZINC000158389069 197268691 /nfs/dbraw/zinc/26/86/91/197268691.db2.gz PZMXLBFLSVCOOT-ZDUSSCGKSA-N 1 0 311.223 2.461 10 30 DEEERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCOc3ccc(C#N)cc3)[C@@H]2C1 ZINC000158429779 197271882 /nfs/dbraw/zinc/27/18/82/197271882.db2.gz ACFFGPIUWLXLAY-KZNAEPCWSA-N 1 0 316.401 2.205 10 30 DEEERO CC[C@@H]1C[N@H+](CCOc2ccc(C#CCO)cc2)CCS1 ZINC000158029326 197237262 /nfs/dbraw/zinc/23/72/62/197237262.db2.gz JOVYSPGSXTXFCQ-QGZVFWFLSA-N 1 0 305.443 2.237 10 30 DEEERO CSC(C)(C)C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156685301 197132728 /nfs/dbraw/zinc/13/27/28/197132728.db2.gz QUGGVVGLRDIPKM-UHFFFAOYSA-N 1 0 312.460 2.063 10 30 DEEERO CN(Cc1cc(C#CC[NH3+])cs1)C(=O)[C@@H]1CCCCS1 ZINC000156281647 197101362 /nfs/dbraw/zinc/10/13/62/197101362.db2.gz LWMRNFKLDCUWAV-AWEZNQCLSA-N 1 0 308.472 2.302 10 30 DEEERO O=C(C[NH2+]C1(CO)CCOCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000329509301 285248056 /nfs/dbraw/zinc/24/80/56/285248056.db2.gz XETCSTBYQLDRAZ-UHFFFAOYSA-N 1 0 322.449 2.043 10 30 DEEERO COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])NC1CCCCC1 ZINC000262002085 533219730 /nfs/dbraw/zinc/21/97/30/533219730.db2.gz QDHATIVKKMOAHA-UHFFFAOYSA-N 1 0 306.366 2.340 10 30 DEEERO C=CC[N@@H+]1CCO[C@H]2CN(C(=O)Cc3ccsc3)CC[C@H]2C1 ZINC000248017048 257112421 /nfs/dbraw/zinc/11/24/21/257112421.db2.gz SUMLBXKWSISEQL-HOTGVXAUSA-N 1 0 320.458 2.026 10 30 DEEERO COc1cccc(NC(=[NH2+])NCC2(CO)CC3(CCC3)C2)c1 ZINC000262739594 533575308 /nfs/dbraw/zinc/57/53/08/533575308.db2.gz IXRIQVPOSGXAIN-UHFFFAOYSA-N 1 0 303.406 2.365 10 30 DEEERO C[NH+]1CCC(Oc2ccc(CNc3ccncc3C#N)cc2)CC1 ZINC000376459318 133295461 /nfs/dbraw/zinc/29/54/61/133295461.db2.gz FEKUALHWRSPMBL-UHFFFAOYSA-N 1 0 322.412 2.460 10 30 DEEERO CN(C(=O)c1ccc(C#N)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309761677 145350128 /nfs/dbraw/zinc/35/01/28/145350128.db2.gz DWCRZVNRWMWGMP-OAHLLOKOSA-N 1 0 309.369 2.498 10 30 DEEERO N#Cc1ccccc1/C=C/C(=O)N1CCN[C@@H](c2cccnc2)C1 ZINC000374377100 148238039 /nfs/dbraw/zinc/23/80/39/148238039.db2.gz ZFWHOIXHQLMFKK-LKGOPFMKSA-N 1 0 318.380 2.140 10 30 DEEERO C=CCC[C@H](C[NH+]1CCSCC1)Oc1ccc(N(C)C)nn1 ZINC000072469523 401709635 /nfs/dbraw/zinc/70/96/35/401709635.db2.gz RACYUBRHMGZUHD-CQSZACIVSA-N 1 0 322.478 2.305 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000076734780 401799160 /nfs/dbraw/zinc/79/91/60/401799160.db2.gz LVDMJSYTIXQVGU-UHFFFAOYSA-N 1 0 306.406 2.218 10 30 DEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000076734422 401799661 /nfs/dbraw/zinc/79/96/61/401799661.db2.gz QTASABHCAWEYGJ-CABCVRRESA-N 1 0 318.417 2.229 10 30 DEEERO N#Cc1cccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128674626 401787779 /nfs/dbraw/zinc/78/77/79/401787779.db2.gz XOEPLQLSZDEDSC-DLBZAZTESA-N 1 0 323.400 2.467 10 30 DEEERO CC[C@@H](CO)[NH+]1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135259877 401932608 /nfs/dbraw/zinc/93/26/08/401932608.db2.gz PRCAFNGYQYLKQP-KRWDZBQOSA-N 1 0 315.461 2.376 10 30 DEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1cccc(OCC#N)c1 ZINC000089849964 401967850 /nfs/dbraw/zinc/96/78/50/401967850.db2.gz CYILQDAKVSWLOB-MRXNPFEDSA-N 1 0 317.433 2.224 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1cccc(OCC#N)c1 ZINC000120772271 402001188 /nfs/dbraw/zinc/00/11/88/402001188.db2.gz BQXJPENUJNKNSN-MRXNPFEDSA-N 1 0 315.417 2.074 10 30 DEEERO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 ZINC000123324829 402122182 /nfs/dbraw/zinc/12/21/82/402122182.db2.gz GZIBBBGFPQOBLH-JKSUJKDBSA-N 1 0 302.418 2.070 10 30 DEEERO CC(C)N(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000151903980 402064702 /nfs/dbraw/zinc/06/47/02/402064702.db2.gz UPBYMMCFWLXEAO-CQSZACIVSA-N 1 0 303.406 2.124 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000124030990 402160665 /nfs/dbraw/zinc/16/06/65/402160665.db2.gz SNGPADAXARRQPD-STQMWFEESA-N 1 0 303.406 2.300 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178522722 402507054 /nfs/dbraw/zinc/50/70/54/402507054.db2.gz DORPNGWEIAOEQJ-GJZGRUSLSA-N 1 0 322.449 2.239 10 30 DEEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ccc(C#N)cn2)C1 ZINC000190449742 402601910 /nfs/dbraw/zinc/60/19/10/402601910.db2.gz FTEXCDSVJUQVKO-QGZVFWFLSA-N 1 0 307.401 2.307 10 30 DEEERO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347872 402651567 /nfs/dbraw/zinc/65/15/67/402651567.db2.gz HJTBSYHMZHPSIR-CQSZACIVSA-N 1 0 312.417 2.055 10 30 DEEERO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccnc(C#N)c2)C1 ZINC000192713286 402745499 /nfs/dbraw/zinc/74/54/99/402745499.db2.gz KLPVEJNIVXAHMA-CQSZACIVSA-N 1 0 300.406 2.195 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000184267416 402831447 /nfs/dbraw/zinc/83/14/47/402831447.db2.gz WOLQPIFLYPCEGM-NSHDSACASA-N 1 0 310.195 2.123 10 30 DEEERO C[N@@H+]1CCO[C@@H]2CCN(c3c(C#N)cnc4ccccc43)C[C@H]21 ZINC000285214882 403279399 /nfs/dbraw/zinc/27/93/99/403279399.db2.gz XHNMZSDUCAAMCJ-IAGOWNOFSA-N 1 0 308.385 2.016 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000286988601 403551597 /nfs/dbraw/zinc/55/15/97/403551597.db2.gz JTFOCBJWKUKAOP-NVXWUHKLSA-N 1 0 313.445 2.403 10 30 DEEERO C=CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000301409675 403624982 /nfs/dbraw/zinc/62/49/82/403624982.db2.gz XHMPVTQUZYOGCR-UHFFFAOYSA-N 1 0 319.361 2.444 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NCC[N@H+]1CC=CCC1 ZINC000288169804 403738707 /nfs/dbraw/zinc/73/87/07/403738707.db2.gz NPPHQLNXJNURFE-GOSISDBHSA-N 1 0 311.429 2.182 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)c2ccsc2)CC1 ZINC000351753277 403898725 /nfs/dbraw/zinc/89/87/25/403898725.db2.gz CBQZYFPLPIJRAK-OAHLLOKOSA-N 1 0 323.462 2.121 10 30 DEEERO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)C2)C1 ZINC000334093429 403909597 /nfs/dbraw/zinc/90/95/97/403909597.db2.gz POFOBNGQXQQAGS-ZOBUZTSGSA-N 1 0 304.438 2.196 10 30 DEEERO CCn1cc(C[N@@H+]2CC[C@H](n3ccc(NC(C)=O)n3)C2)cn1 ZINC000328634587 404119890 /nfs/dbraw/zinc/11/98/90/404119890.db2.gz UFRCXBHEEOEBCG-AWEZNQCLSA-N 1 0 302.382 2.154 10 30 DEEERO CCC(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000328926595 404175157 /nfs/dbraw/zinc/17/51/57/404175157.db2.gz WNAVVTYGZUZHTR-CHWSQXEVSA-N 1 0 313.467 2.129 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@@H](CC)c2ccccc2)CC1 ZINC000349766099 404191746 /nfs/dbraw/zinc/19/17/46/404191746.db2.gz AWIHDTNCOHOFBS-QGZVFWFLSA-N 1 0 315.461 2.100 10 30 DEEERO C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)C1=CC[N@H+](C)CC1 ZINC000329362759 404314542 /nfs/dbraw/zinc/31/45/42/404314542.db2.gz ZDXJHVFYBCFAQT-FPMFFAJLSA-N 1 0 308.426 2.234 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000342033886 404325441 /nfs/dbraw/zinc/32/54/41/404325441.db2.gz BUHSRAMXSSSAJM-YESZJQIVSA-N 1 0 307.482 2.073 10 30 DEEERO CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000329523415 404364750 /nfs/dbraw/zinc/36/47/50/404364750.db2.gz PWQXJDXHJXYEGW-MELADBBJSA-N 1 0 319.453 2.403 10 30 DEEERO C=C[C@](C)(O)CC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000356051165 404387618 /nfs/dbraw/zinc/38/76/18/404387618.db2.gz JZUWEFSHQQTTOI-PBHICJAKSA-N 1 0 304.390 2.337 10 30 DEEERO C=CCn1c(-c2cccn2C)nnc1N1CCC[N@@H+](CC)CC1 ZINC000350729256 404452534 /nfs/dbraw/zinc/45/25/34/404452534.db2.gz JJHJTFOKLGEGSF-UHFFFAOYSA-N 1 0 314.437 2.002 10 30 DEEERO C=CCOCCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373871190 404622641 /nfs/dbraw/zinc/62/26/41/404622641.db2.gz YLEYTNLKLQYFKD-MRXNPFEDSA-N 1 0 309.454 2.285 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](O)C12CCCC2 ZINC000330333225 404628477 /nfs/dbraw/zinc/62/84/77/404628477.db2.gz PPQUMOFQYPQKDM-HZPDHXFCSA-N 1 0 323.481 2.400 10 30 DEEERO Cc1nccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000366491719 404802185 /nfs/dbraw/zinc/80/21/85/404802185.db2.gz SRQOCSLYCVMLHP-UHFFFAOYSA-N 1 0 307.401 2.369 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451338200 404959114 /nfs/dbraw/zinc/95/91/14/404959114.db2.gz HNTVKSIFOMOWAJ-BRWVUGGUSA-N 1 0 308.466 2.427 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000435745906 405010021 /nfs/dbraw/zinc/01/00/21/405010021.db2.gz RIEBMGUSHRHZBQ-OAGGEKHMSA-N 1 0 309.454 2.141 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000451759874 405027131 /nfs/dbraw/zinc/02/71/31/405027131.db2.gz SKSIDHZQJOQDQA-HNNXBMFYSA-N 1 0 314.364 2.069 10 30 DEEERO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000408203263 405138852 /nfs/dbraw/zinc/13/88/52/405138852.db2.gz KUTJMFGHDRNXAW-HLLBOEOZSA-N 1 0 321.465 2.320 10 30 DEEERO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418746487 405190201 /nfs/dbraw/zinc/19/02/01/405190201.db2.gz IBLQFADPRGWSBS-CQSZACIVSA-N 1 0 309.360 2.381 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000438440330 405246789 /nfs/dbraw/zinc/24/67/89/405246789.db2.gz CQRJYNSLYGSYRX-FPCVCCKLSA-N 1 0 309.454 2.092 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000425536411 405299689 /nfs/dbraw/zinc/29/96/89/405299689.db2.gz FNSMWDOAJXODLL-HOTGVXAUSA-N 1 0 309.454 2.143 10 30 DEEERO C=CC[C@]1(C(=O)NC[C@@H](OC)c2cccc(OC)c2)CCC[NH2+]1 ZINC000638452682 405477722 /nfs/dbraw/zinc/47/77/22/405477722.db2.gz BHRIPISJPIOYLJ-SJLPKXTDSA-N 1 0 318.417 2.197 10 30 DEEERO C=C(C)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635819284 405532465 /nfs/dbraw/zinc/53/24/65/405532465.db2.gz ZQBXFTJMFXATMI-HKUYNNGSSA-N 1 0 314.429 2.217 10 30 DEEERO C=CCc1cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)cc(OC)c1O ZINC000449677746 405686101 /nfs/dbraw/zinc/68/61/01/405686101.db2.gz NVGMTHKQOCLPCY-XJKSGUPXSA-N 1 0 321.417 2.101 10 30 DEEERO C=CC[C@@H](CO)C[NH2+]Cc1snc(OC)c1Br ZINC000638830353 405698943 /nfs/dbraw/zinc/69/89/43/405698943.db2.gz PCERVDYTBCSUMY-MRVPVSSYSA-N 1 0 321.240 2.188 10 30 DEEERO Cn1cncc1[C@H]1[C@H](CNc2ccc(C#N)nc2)CCC[N@@H+]1C ZINC000583618231 405776379 /nfs/dbraw/zinc/77/63/79/405776379.db2.gz VHQPQAZRTNVXLY-SUMWQHHRSA-N 1 0 310.405 2.182 10 30 DEEERO C=CCC1(C(=O)NC[C@H](O)C[NH+]2CCCCC2)CCCCC1 ZINC000450231337 405789426 /nfs/dbraw/zinc/78/94/26/405789426.db2.gz JIWRLHIIEUOMPW-INIZCTEOSA-N 1 0 308.466 2.476 10 30 DEEERO C=C(C)[C@H](CC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)OCC ZINC000634093561 406001285 /nfs/dbraw/zinc/00/12/85/406001285.db2.gz PEWCMTYAWJMIDG-INIZCTEOSA-N 1 0 320.437 2.460 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000636785236 406081577 /nfs/dbraw/zinc/08/15/77/406081577.db2.gz GNWWXYYLEVBTBO-OAHLLOKOSA-N 1 0 323.481 2.086 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634721083 406246235 /nfs/dbraw/zinc/24/62/35/406246235.db2.gz UDPLZGLSKHCKNP-CHWSQXEVSA-N 1 0 320.216 2.260 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000633036542 406359033 /nfs/dbraw/zinc/35/90/33/406359033.db2.gz NJUGXDQDAPMRTG-UHFFFAOYSA-N 1 0 311.470 2.389 10 30 DEEERO Cc1ccc2ncc(C#N)c(N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1 ZINC000291975448 292393865 /nfs/dbraw/zinc/39/38/65/292393865.db2.gz PIGFSMJUCJFVIU-ZWKOTPCHSA-N 1 0 322.412 2.324 10 30 DEEERO C=CCC[C@H](CO)NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000575333778 406806768 /nfs/dbraw/zinc/80/67/68/406806768.db2.gz WHPYCTARIUZLCM-MRXNPFEDSA-N 1 0 317.433 2.050 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000576339461 406830421 /nfs/dbraw/zinc/83/04/21/406830421.db2.gz PSOOPAMOBKEVKE-QAETUUGQSA-N 1 0 321.465 2.141 10 30 DEEERO C#CCN(CCC)S(=O)(=O)c1ccc(C[NH2+]C(C)C)s1 ZINC000132269923 196240679 /nfs/dbraw/zinc/24/06/79/196240679.db2.gz IRBPXFOODFCSPI-UHFFFAOYSA-N 1 0 314.476 2.280 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000132443699 196256365 /nfs/dbraw/zinc/25/63/65/196256365.db2.gz WHJBUFIAXJBAGW-LBPRGKRZSA-N 1 0 308.179 2.401 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000132449781 196257172 /nfs/dbraw/zinc/25/71/72/196257172.db2.gz PBWCWONTKSISLR-VIFPVBQESA-N 1 0 308.179 2.259 10 30 DEEERO CC(C)[NH2+][C@H]1CCN(c2ccc(Br)cc2C#N)C1=O ZINC000133030328 196306477 /nfs/dbraw/zinc/30/64/77/196306477.db2.gz PTRJHMMDYLKIOS-LBPRGKRZSA-N 1 0 322.206 2.424 10 30 DEEERO Cc1c(Nc2ccc(Br)cc2C#N)nc[nH+]c1NN ZINC000133059768 196308675 /nfs/dbraw/zinc/30/86/75/196308675.db2.gz FMAUBIABITYNQH-UHFFFAOYSA-N 1 0 319.166 2.448 10 30 DEEERO [NH2+]=C(NC[C@H]1CCCO1)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000262340904 225268497 /nfs/dbraw/zinc/26/84/97/225268497.db2.gz YGZJILHLMLTNJZ-IJLUTSLNSA-N 1 0 307.360 2.438 10 30 DEEERO COc1cccc(C(F)(F)CNC(=[NH2+])N2CCCCCC2)n1 ZINC000262668883 225280926 /nfs/dbraw/zinc/28/09/26/225280926.db2.gz QBJGRRUXASBFNP-UHFFFAOYSA-N 1 0 312.364 2.373 10 30 DEEERO [NH2+]=C(NCc1cccc(N2CCC2=O)c1)NC1CCCCC1 ZINC000262758495 225283148 /nfs/dbraw/zinc/28/31/48/225283148.db2.gz CHTLEJRFZFKPRG-UHFFFAOYSA-N 1 0 300.406 2.160 10 30 DEEERO [NH2+]=C(NCC1(CF)CCOCC1)N[C@H]1CCOc2ccccc21 ZINC000263074595 225290957 /nfs/dbraw/zinc/29/09/57/225290957.db2.gz HCWBONCLIYXFIB-AWEZNQCLSA-N 1 0 321.396 2.181 10 30 DEEERO C[C@@H]1CN(C(C)(C)CNC(=[NH2+])NC2CCCCC2)C[C@H](C)O1 ZINC000263107220 225291388 /nfs/dbraw/zinc/29/13/88/225291388.db2.gz DBOYFUDGFZJXDA-OKILXGFUSA-N 1 0 310.486 2.111 10 30 DEEERO [NH2+]=C(NCC1(CF)CCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000263074597 225291535 /nfs/dbraw/zinc/29/15/35/225291535.db2.gz HCWBONCLIYXFIB-CQSZACIVSA-N 1 0 321.396 2.181 10 30 DEEERO N#CC1CCC(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000370246170 227047306 /nfs/dbraw/zinc/04/73/06/227047306.db2.gz COZBJUZSVIGJJP-OFLPRAFFSA-N 1 0 318.465 2.444 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000424145837 424991666 /nfs/dbraw/zinc/99/16/66/424991666.db2.gz VNKLJAMJJLTVTM-ZNMIVQPWSA-N 1 0 321.421 2.661 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000245419895 276183838 /nfs/dbraw/zinc/18/38/38/276183838.db2.gz HGZHXYTUEQPCJU-ZBFHGGJFSA-N 1 0 314.433 2.301 10 30 DEEERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC2(O)CCCCCC2)C1 ZINC000330242240 279292130 /nfs/dbraw/zinc/29/21/30/279292130.db2.gz JHBXIPLYWNZPRT-OAHLLOKOSA-N 1 0 311.470 2.402 10 30 DEEERO C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCCC1=O ZINC000328702847 298244097 /nfs/dbraw/zinc/24/40/97/298244097.db2.gz NXPUWZMMOYTLBH-KGLIPLIRSA-N 1 0 307.438 2.218 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000569597409 332190916 /nfs/dbraw/zinc/19/09/16/332190916.db2.gz ZAISCEZKKVCRBM-PMPSAXMXSA-N 1 0 323.481 2.387 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000535782369 335768510 /nfs/dbraw/zinc/76/85/10/335768510.db2.gz XPYDPNDIRRRJBQ-MRXNPFEDSA-N 1 0 307.482 2.123 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000051952827 337446710 /nfs/dbraw/zinc/44/67/10/337446710.db2.gz BVBPAVOXHZATCZ-MRXNPFEDSA-N 1 0 307.482 2.360 10 30 DEEERO C=C(C)[C@H](CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)OCC ZINC000529910182 340773229 /nfs/dbraw/zinc/77/32/29/340773229.db2.gz AOLSULROPRYCSF-INIZCTEOSA-N 1 0 324.465 2.071 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418392832 526348807 /nfs/dbraw/zinc/34/88/07/526348807.db2.gz ZXYNIYMBAHEJEC-AWEZNQCLSA-N 1 0 318.377 2.044 10 30 DEEERO C[NH+]=C(NCC1CCC1)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000261661314 526351233 /nfs/dbraw/zinc/35/12/33/526351233.db2.gz AUGMGSSIBJKRLN-MRXNPFEDSA-N 1 0 320.481 2.133 10 30 DEEERO C[NH+]=C(NCc1ccnc(OC)c1)N(C)Cc1ccc(F)cc1 ZINC000114087461 526386324 /nfs/dbraw/zinc/38/63/24/526386324.db2.gz MDZTVEOGMZZZSE-UHFFFAOYSA-N 1 0 316.380 2.437 10 30 DEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262797449 526415569 /nfs/dbraw/zinc/41/55/69/526415569.db2.gz OMWFPQRUJFVEJC-CZUORRHYSA-N 1 0 316.449 2.237 10 30 DEEERO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)C1=O ZINC000337139834 526478369 /nfs/dbraw/zinc/47/83/69/526478369.db2.gz QNBQNZPGHODIMD-HUUCEWRRSA-N 1 0 314.385 2.339 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000447793602 526537726 /nfs/dbraw/zinc/53/77/26/526537726.db2.gz DIMUARAOWNZQQX-QGZVFWFLSA-N 1 0 315.461 2.100 10 30 DEEERO C=CCNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000338235058 526583544 /nfs/dbraw/zinc/58/35/44/526583544.db2.gz GUEUNYHRTDRFFL-MRXNPFEDSA-N 1 0 302.422 2.264 10 30 DEEERO C#CCC(CC#C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000376935537 526671579 /nfs/dbraw/zinc/67/15/79/526671579.db2.gz ZGKLWAHACPELOM-LJQANCHMSA-N 1 0 308.425 2.382 10 30 DEEERO C=CCOCC[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000378545025 526782080 /nfs/dbraw/zinc/78/20/80/526782080.db2.gz NAJALJZZGIWBCE-WMZOPIPTSA-N 1 0 304.434 2.068 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCc3nc(C)sc32)CC1 ZINC000367988998 526930168 /nfs/dbraw/zinc/93/01/68/526930168.db2.gz OWAFMJNRFZRRQT-OAHLLOKOSA-N 1 0 317.458 2.290 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000340324219 527175721 /nfs/dbraw/zinc/17/57/21/527175721.db2.gz ZSLVJCINGSQYRR-UHFFFAOYSA-N 1 0 323.481 2.039 10 30 DEEERO C=CCn1c(C)cc(C(=O)CN2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000247114084 527296027 /nfs/dbraw/zinc/29/60/27/527296027.db2.gz FDKOPPDDGXMMGH-INIZCTEOSA-N 1 0 301.434 2.254 10 30 DEEERO CC[NH+]=C(NCCC(C)(C)C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261656627 528805416 /nfs/dbraw/zinc/80/54/16/528805416.db2.gz ANDWCQNYRGWHNF-HNNXBMFYSA-N 1 0 321.469 2.195 10 30 DEEERO CC[NH+]=C(NCCn1ccnc1C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261755138 528809819 /nfs/dbraw/zinc/80/98/19/528809819.db2.gz NTWZUJMUJKQEQJ-IYBDPMFKSA-N 1 0 303.454 2.279 10 30 DEEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CCC[C@@H]1C#N ZINC000262447071 528820310 /nfs/dbraw/zinc/82/03/10/528820310.db2.gz VJXXVZRONSIQKK-YIDVYQOGSA-N 1 0 318.465 2.437 10 30 DEEERO CC1(C)CC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)O1 ZINC000262430615 529038449 /nfs/dbraw/zinc/03/84/49/529038449.db2.gz JIBUQYGRXVYIIZ-TZMCWYRMSA-N 1 0 303.406 2.372 10 30 DEEERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000247751471 535486471 /nfs/dbraw/zinc/48/64/71/535486471.db2.gz ZHXDZLYULVTCHZ-GOEBONIOSA-N 1 0 315.417 2.316 10 30 DEEERO [NH2+]=C(NCCOc1cccc2ccccc21)NC[C@@H]1CCCO1 ZINC000066243956 625058099 /nfs/dbraw/zinc/05/80/99/625058099.db2.gz HBNVXONGGVEAGI-HNNXBMFYSA-N 1 0 313.401 2.302 10 30 DEEERO C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N[C@@H]1CCC[C@@H]1C#N ZINC000262337814 625168156 /nfs/dbraw/zinc/16/81/56/625168156.db2.gz CCHZZKPEJGIRFH-VXGBXAGGSA-N 1 0 303.410 2.329 10 30 DEEERO CCOc1ncccc1C(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000091700034 635554689 /nfs/dbraw/zinc/55/46/89/635554689.db2.gz LSOMIWKPQWYMQI-AWEZNQCLSA-N 1 0 304.390 2.371 10 30 DEEERO CCc1nc(CNC(=[NH2+])NCc2ccccc2OC)cs1 ZINC000178571238 635928862 /nfs/dbraw/zinc/92/88/62/635928862.db2.gz HUHLOSLUPZZLCW-UHFFFAOYSA-N 1 0 304.419 2.319 10 30 DEEERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(OCC#N)cc1 ZINC000727676754 638210082 /nfs/dbraw/zinc/21/00/82/638210082.db2.gz RNMIRWQSEXLBKR-MRXNPFEDSA-N 1 0 301.390 2.080 10 30 DEEERO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1C#N ZINC000747078170 638406006 /nfs/dbraw/zinc/40/60/06/638406006.db2.gz DEFXUZMIFLMYLE-AWEZNQCLSA-N 1 0 315.417 2.448 10 30 DEEERO CC[NH+](CC)CCCNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000747394732 638434123 /nfs/dbraw/zinc/43/41/23/638434123.db2.gz RMEUREYUENRDDO-UHFFFAOYSA-N 1 0 318.421 2.098 10 30 DEEERO CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1CCC[C@H]1C#N ZINC000262463101 639191109 /nfs/dbraw/zinc/19/11/09/639191109.db2.gz XWSIFYSLEUYYEI-IVSAIRAKSA-N 1 0 306.454 2.175 10 30 DEEERO C#CC[N@H+]1CCC[C@@H]1COC(=O)COc1ccc(CC)cc1 ZINC000729810396 640843231 /nfs/dbraw/zinc/84/32/31/640843231.db2.gz WZQOTVQCEHKFJS-MRXNPFEDSA-N 1 0 301.386 2.269 10 30 DEEERO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000807169061 645918360 /nfs/dbraw/zinc/91/83/60/645918360.db2.gz FNDXXMXHLUUAKP-ROUUACIJSA-N 1 0 305.381 2.238 10 30 DEEERO CO[C@@H]1CCC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000172609131 646744848 /nfs/dbraw/zinc/74/48/48/646744848.db2.gz CJHPXJIQTOPZMM-MRXNPFEDSA-N 1 0 311.389 2.194 10 30 DEEERO CO[C@H]1CCC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000172609127 646745212 /nfs/dbraw/zinc/74/52/12/646745212.db2.gz CJHPXJIQTOPZMM-INIZCTEOSA-N 1 0 311.389 2.194 10 30 DEEERO CC[C@H](C#N)OC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000180078664 648454879 /nfs/dbraw/zinc/45/48/79/648454879.db2.gz XPJIRVUUWFSOMN-MRXNPFEDSA-N 1 0 301.390 2.287 10 30 DEEERO C=C(Br)CN1CCN(CCOCC)[C@@H](CC)C1 ZINC000105914789 651242947 /nfs/dbraw/zinc/24/29/47/651242947.db2.gz LONRADLPKYJYJW-ZDUSSCGKSA-N 1 0 305.260 2.328 10 30 DEEERO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cncnc2)ccc1OC ZINC000113347725 651700887 /nfs/dbraw/zinc/70/08/87/651700887.db2.gz SQLGCWQFDFVLQC-HNNXBMFYSA-N 1 0 312.373 2.456 10 30 DEEERO [NH2+]=C(NCCCNC(=O)c1ccccc1)NC1CCCCCC1 ZINC000305745659 685298006 /nfs/dbraw/zinc/29/80/06/685298006.db2.gz OLRHJFXZEOGWHZ-UHFFFAOYSA-N 1 0 316.449 2.434 10 30 DEEERO Cc1cccc(NC(=[NH2+])N[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000303894278 685238974 /nfs/dbraw/zinc/23/89/74/685238974.db2.gz SKDXIOBKVPTJTQ-GFCCVEGCSA-N 1 0 300.328 2.358 10 30 DEEERO COc1cccc(N2CC[C@H](CNC(=[NH2+])NCC3CCC3)C2)c1 ZINC000303974212 685240863 /nfs/dbraw/zinc/24/08/63/685240863.db2.gz HRCBYLGENUPHDD-OAHLLOKOSA-N 1 0 316.449 2.226 10 30 DEEERO Cc1cccc(NC(=[NH2+])NCC(=O)Nc2cccc(F)c2)c1 ZINC000303986948 685242343 /nfs/dbraw/zinc/24/23/43/685242343.db2.gz UZVSPHWMWYNBED-UHFFFAOYSA-N 1 0 300.337 2.499 10 30 DEEERO O=C(C[N+]12CCN(CC1)CC2)Nc1cccc(Cl)c1Cl ZINC000021958064 717112928 /nfs/dbraw/zinc/11/29/28/717112928.db2.gz POGKMJHNFPPIKU-UHFFFAOYSA-O 1 0 315.224 2.078 10 30 DEEERO CCC1([NH3+])CCN(c2ncc(Br)cc2C#N)CC1 ZINC000714753105 792335227 /nfs/dbraw/zinc/33/52/27/792335227.db2.gz VLFGGGCVQZJTSM-UHFFFAOYSA-N 1 0 309.211 2.423 10 30 DEEERO C#CC[C@@H](COC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000716830288 793007986 /nfs/dbraw/zinc/00/79/86/793007986.db2.gz VGPSPTNSSXCWCW-VGWMRTNUSA-N 1 0 322.449 2.402 10 30 DEEERO C[C@](O)(C[NH2+]CCOC(F)(F)C(F)(F)F)C(F)(F)F ZINC000720232830 1089536306 /nfs/dbraw/zinc/53/63/06/1089536306.db2.gz XYCFNWTZKDXCQP-YFKPBYRVSA-N 1 0 305.165 2.061 10 30 DEEERO C=CCNC(=O)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000393849873 1144789663 /nfs/dbraw/zinc/78/96/63/1144789663.db2.gz DWFKKGWJFZZRMV-AWEZNQCLSA-N 1 0 323.234 2.198 10 30 DEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000076736678 185038078 /nfs/dbraw/zinc/03/80/78/185038078.db2.gz NQTPUENFNPZHMU-LLVKDONJSA-N 1 0 302.378 2.081 10 30 DEEERO C=C[C@@H](O)C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000612925463 361951786 /nfs/dbraw/zinc/95/17/86/361951786.db2.gz OJHZGWZMZDPCAO-QGZVFWFLSA-N 1 0 316.445 2.342 10 30 DEEERO Cc1noc(C)c1[C@@H](C)NC(=O)c1sccc1C#CC[NH3+] ZINC000092341634 185313127 /nfs/dbraw/zinc/31/31/27/185313127.db2.gz GQELWOBIVNXZRR-SECBINFHSA-N 1 0 303.387 2.154 10 30 DEEERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C#N)cc1Br ZINC000092952621 185350412 /nfs/dbraw/zinc/35/04/12/185350412.db2.gz TVEMDSNJZKTUPE-SCZZXKLOSA-N 1 0 308.179 2.257 10 30 DEEERO CCc1nn(-c2ccccc2)c(CC)c1CNC1=[NH+]C[C@@H](C)N1 ZINC000262681327 529764581 /nfs/dbraw/zinc/76/45/81/529764581.db2.gz WKODUQSJLDDFGY-CYBMUJFWSA-N 1 0 311.433 2.434 10 30 DEEERO CN1CCO[C@H](C[N@@H+](Cc2cc(C#N)cs2)CC2CC2)C1 ZINC000328639420 529788283 /nfs/dbraw/zinc/78/82/83/529788283.db2.gz PLVVPEOPYOKYQU-HNNXBMFYSA-N 1 0 305.447 2.162 10 30 DEEERO C=CCC1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCCCC1 ZINC000614514338 362398978 /nfs/dbraw/zinc/39/89/78/362398978.db2.gz MNLHXGIFAFNJLI-MRXNPFEDSA-N 1 0 305.466 2.019 10 30 DEEERO C=CCC1(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)CCOCC1 ZINC000615605968 362655182 /nfs/dbraw/zinc/65/51/82/362655182.db2.gz MSUDXFKLMGWIBQ-KRWDZBQOSA-N 1 0 306.450 2.304 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@H](O)COCc2cccc(OC)c2)C1 ZINC000625704576 365876447 /nfs/dbraw/zinc/87/64/47/365876447.db2.gz VBUVEMPOQUWVHG-WBVHZDCISA-N 1 0 305.418 2.471 10 30 DEEERO C[C@H]1SCCN(C(=O)c2ccc(C#CC[NH3+])cc2F)[C@@H]1C ZINC000133661660 186004190 /nfs/dbraw/zinc/00/41/90/186004190.db2.gz NEYLNFXFQIHQDA-VXGBXAGGSA-N 1 0 306.406 2.102 10 30 DEEERO COc1ccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1C#CCO ZINC000133769502 186010689 /nfs/dbraw/zinc/01/06/89/186010689.db2.gz CELULRSJEKOHCO-UONOGXRCSA-N 1 0 305.443 2.365 10 30 DEEERO C=CCN(CC=C)S(=O)(=O)c1cc(C[NH2+]C)cc(F)c1F ZINC000138241442 186015242 /nfs/dbraw/zinc/01/52/42/186015242.db2.gz SXUWIQMCMBKNMN-UHFFFAOYSA-N 1 0 316.373 2.047 10 30 DEEERO C=CCN(C(C)C)S(=O)(=O)c1cc(C[NH3+])cc(F)c1F ZINC000139261625 186020663 /nfs/dbraw/zinc/02/06/63/186020663.db2.gz ZQGYHKSUBCAIPO-UHFFFAOYSA-N 1 0 304.362 2.009 10 30 DEEERO Cc1cn2cc(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)ccc2n1 ZINC000329425456 539920243 /nfs/dbraw/zinc/92/02/43/539920243.db2.gz IWIAFOKOFVZKTE-OAHLLOKOSA-N 1 0 313.405 2.358 10 30 DEEERO C=C(C)C(C)(C)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617696005 363225612 /nfs/dbraw/zinc/22/56/12/363225612.db2.gz AHCVNCDJWHZSKL-QGZVFWFLSA-N 1 0 316.445 2.472 10 30 DEEERO C=C[C@@H](O)C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000617865818 363293836 /nfs/dbraw/zinc/29/38/36/363293836.db2.gz RLZORQJMSQARSI-CYBMUJFWSA-N 1 0 317.414 2.376 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)CC[NH2+]C ZINC000415542233 540160308 /nfs/dbraw/zinc/16/03/08/540160308.db2.gz AAQZRFRUIIUELO-UHFFFAOYSA-N 1 0 317.433 2.155 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC ZINC000595601343 358497496 /nfs/dbraw/zinc/49/74/96/358497496.db2.gz BEDUNHYSHZGHGI-IVSAIRAKSA-N 1 0 324.465 2.415 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000092188286 355619572 /nfs/dbraw/zinc/61/95/72/355619572.db2.gz AJDUECOMFYKTQJ-INIZCTEOSA-N 1 0 315.417 2.241 10 30 DEEERO C=CCOc1ccccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000093817651 355689114 /nfs/dbraw/zinc/68/91/14/355689114.db2.gz VODRPHIQZAYQNG-KRWDZBQOSA-N 1 0 316.445 2.406 10 30 DEEERO N#Cc1csc(C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)c1 ZINC000184252140 356188481 /nfs/dbraw/zinc/18/84/81/356188481.db2.gz IGONNBODZPGZRE-HNNXBMFYSA-N 1 0 312.398 2.300 10 30 DEEERO C=CCSCCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000194625197 356242455 /nfs/dbraw/zinc/24/24/55/356242455.db2.gz HUUHAFWKQCZROM-MRXNPFEDSA-N 1 0 321.490 2.378 10 30 DEEERO C=CCCSCCNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000595650445 358512636 /nfs/dbraw/zinc/51/26/36/358512636.db2.gz YNGYSFPRZCVILD-UHFFFAOYSA-N 1 0 304.419 2.443 10 30 DEEERO C=CCCCCCNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000579140788 356930094 /nfs/dbraw/zinc/93/00/94/356930094.db2.gz QWDKVJQOFZNHIY-UHFFFAOYSA-N 1 0 309.454 2.017 10 30 DEEERO C=CCC[C@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000581061731 357123923 /nfs/dbraw/zinc/12/39/23/357123923.db2.gz RXEMZAPXPWRZQG-INIZCTEOSA-N 1 0 315.417 2.078 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1=O ZINC000591012109 357659753 /nfs/dbraw/zinc/65/97/53/357659753.db2.gz YGGHUHMGMITSFX-HNNXBMFYSA-N 1 0 303.362 2.204 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000591669290 357749994 /nfs/dbraw/zinc/74/99/94/357749994.db2.gz OAVCNPPXYCLQEA-AWEZNQCLSA-N 1 0 303.362 2.107 10 30 DEEERO N#CC1(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000593067393 358000469 /nfs/dbraw/zinc/00/04/69/358000469.db2.gz KMMQDAZVBFGQRK-QZTJIDSGSA-N 1 0 311.429 2.265 10 30 DEEERO C=CCOc1ccccc1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594433476 358268626 /nfs/dbraw/zinc/26/86/26/358268626.db2.gz FKQMHYVJCINKBI-OAHLLOKOSA-N 1 0 301.390 2.279 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626974843 366386998 /nfs/dbraw/zinc/38/69/98/366386998.db2.gz LQMVLDVETDIHJP-ZFWWWQNUSA-N 1 0 303.406 2.191 10 30 DEEERO C=C(C)CN(Cc1ccccc1)C(=O)NCCOCC[NH2+]C ZINC000627173268 366464630 /nfs/dbraw/zinc/46/46/30/366464630.db2.gz SGGQKYQPEABBCN-UHFFFAOYSA-N 1 0 305.422 2.010 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000599526119 359516582 /nfs/dbraw/zinc/51/65/82/359516582.db2.gz FEUPZHJIDWOQBQ-ZDUSSCGKSA-N 1 0 302.374 2.310 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599530422 359517829 /nfs/dbraw/zinc/51/78/29/359517829.db2.gz WZTLNWZEPNIBEH-KGLIPLIRSA-N 1 0 306.362 2.233 10 30 DEEERO C=C(C)C[C@H](NCc1cn(-c2cc[nH+]cc2)nc1C)C(=O)OC ZINC000602734440 360525811 /nfs/dbraw/zinc/52/58/11/360525811.db2.gz OGWFZFCRZMPJNS-INIZCTEOSA-N 1 0 314.389 2.173 10 30 DEEERO Cc1ccc(NC(=O)c2ccnc(C#N)c2)c(OCC[NH+](C)C)c1 ZINC000193317454 201027794 /nfs/dbraw/zinc/02/77/94/201027794.db2.gz TYYXHNHMFPNMNK-UHFFFAOYSA-N 1 0 324.384 2.454 10 30 DEEERO C[C@@H](CNC(=O)c1ccnc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000193221801 201008878 /nfs/dbraw/zinc/00/88/78/201008878.db2.gz GEZRAPFPSONANL-AWEZNQCLSA-N 1 0 308.385 2.204 10 30 DEEERO N#Cc1cc(C(=O)NCCCCC[NH+]2CCCCC2)ccn1 ZINC000193228704 201009450 /nfs/dbraw/zinc/00/94/50/201009450.db2.gz PRNXPNRFSLCIFK-UHFFFAOYSA-N 1 0 300.406 2.339 10 30 DEEERO C[C@H](NC(=O)NCc1ccc(C#N)cc1F)C1CC[NH+](C)CC1 ZINC000610025410 361354202 /nfs/dbraw/zinc/35/42/02/361354202.db2.gz ORRIXELSMMDYAZ-LBPRGKRZSA-N 1 0 318.396 2.227 10 30 DEEERO C=C[C@@](C)(O)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000611799506 361684659 /nfs/dbraw/zinc/68/46/59/361684659.db2.gz PJAPKFRRZGMTCM-CRAIPNDOSA-N 1 0 302.418 2.046 10 30 DEEERO C=C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)OC ZINC000619700113 363858248 /nfs/dbraw/zinc/85/82/48/363858248.db2.gz XNBWHOBCZNPBQC-KRWDZBQOSA-N 1 0 302.418 2.490 10 30 DEEERO C=CCOc1ccc(CC(=O)N2C[C@@H](CC)[NH2+][C@@H](C)C2)cc1 ZINC000620904881 364196110 /nfs/dbraw/zinc/19/61/10/364196110.db2.gz RSSAALBVGCOLNS-GOEBONIOSA-N 1 0 302.418 2.393 10 30 DEEERO C=CCCO[C@@H](C)C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620915132 364199832 /nfs/dbraw/zinc/19/98/32/364199832.db2.gz COQMBUGYTOLAFW-HOTGVXAUSA-N 1 0 324.465 2.069 10 30 DEEERO C#CCOc1ccc(Br)cc1C[NH2+]CC1CC(O)C1 ZINC000091424545 193054494 /nfs/dbraw/zinc/05/44/94/193054494.db2.gz RRZORPWDVSLCQP-UHFFFAOYSA-N 1 0 324.218 2.322 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000624464281 365429974 /nfs/dbraw/zinc/42/99/74/365429974.db2.gz STQYQYDDLPZFKN-CQSZACIVSA-N 1 0 311.470 2.075 10 30 DEEERO CC1CCN(C(=O)N(C)Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000091992519 193138123 /nfs/dbraw/zinc/13/81/23/193138123.db2.gz WMRQFLBLJMTMKV-UHFFFAOYSA-N 1 0 305.447 2.342 10 30 DEEERO N#Cc1ccc2ncc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)n2c1 ZINC000093585442 193270178 /nfs/dbraw/zinc/27/01/78/193270178.db2.gz ZMFFFBSNQINWBN-CRAIPNDOSA-N 1 0 310.401 2.333 10 30 DEEERO Cc1cc(C(=O)NCc2csc(C)n2)sc1C#CC[NH3+] ZINC000094536498 193378332 /nfs/dbraw/zinc/37/83/32/193378332.db2.gz XLZBDZZCIJPPDQ-UHFFFAOYSA-N 1 0 305.428 2.062 10 30 DEEERO C=C(C)Cn1c(N2CC[NH+](CC)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453470625 245156896 /nfs/dbraw/zinc/15/68/96/245156896.db2.gz QKUCUJIKXGLHMF-QGZVFWFLSA-N 1 0 319.453 2.022 10 30 DEEERO Cc1cc(C)n2c(C[NH2+]CCOc3ccc(C#N)cc3)cnc2n1 ZINC000157159789 291627750 /nfs/dbraw/zinc/62/77/50/291627750.db2.gz OKNYIVBCEPDNKK-UHFFFAOYSA-N 1 0 321.384 2.386 10 30 DEEERO N#Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000037031074 182862712 /nfs/dbraw/zinc/86/27/12/182862712.db2.gz XOFZXPVAEAAWCC-JTQLQIEISA-N 1 0 308.179 2.259 10 30 DEEERO CN(Cc1cc(C#CC[NH3+])cs1)C(=O)c1ccc(O)cc1 ZINC000042400666 183264373 /nfs/dbraw/zinc/26/43/73/183264373.db2.gz AXJVEUXZDOUQCI-UHFFFAOYSA-N 1 0 300.383 2.036 10 30 DEEERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CC#N)CC#N ZINC000042952533 183321071 /nfs/dbraw/zinc/32/10/71/183321071.db2.gz XODAJIFSAPMBLX-ZWNOBZJWSA-N 1 0 307.195 2.187 10 30 DEEERO CCN(Cc1ccc(OC)c(C#CC[NH3+])c1)CC(F)(F)F ZINC000042780009 183308645 /nfs/dbraw/zinc/30/86/45/183308645.db2.gz UHQMDMXUCZODHS-UHFFFAOYSA-N 1 0 300.324 2.390 10 30 DEEERO CC(C)N(CC(F)(F)F)C(=O)c1ccc(C#CC[NH3+])s1 ZINC000042798002 183310876 /nfs/dbraw/zinc/31/08/76/183310876.db2.gz CLNFVRBOECCIFB-UHFFFAOYSA-N 1 0 304.337 2.471 10 30 DEEERO C[C@H](N(C)S(=O)(=O)c1ccc(C#CC[NH3+])cc1)C(C)(C)C ZINC000042830771 183312755 /nfs/dbraw/zinc/31/27/55/183312755.db2.gz NLOPCSHPUIFUEY-ZDUSSCGKSA-N 1 0 308.447 2.052 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(C#N)cc2)C[C@H]1CC ZINC000106120155 194187634 /nfs/dbraw/zinc/18/76/34/194187634.db2.gz XJVBRJVPTPVSIS-GOSISDBHSA-N 1 0 301.434 2.491 10 30 DEEERO CCC[C@@H](CC)NS(=O)(=O)c1ccc(C)cc1C#CC[NH3+] ZINC000050398633 183784898 /nfs/dbraw/zinc/78/48/98/183784898.db2.gz AFXMRUCQUAPVHZ-OAHLLOKOSA-N 1 0 308.447 2.162 10 30 DEEERO Cc1cnc(C(=O)Nc2cc(C#CC[NH3+])ccc2Cl)cn1 ZINC000061692031 184183387 /nfs/dbraw/zinc/18/33/87/184183387.db2.gz JPZOFKIQEHJGBY-UHFFFAOYSA-N 1 0 300.749 2.001 10 30 DEEERO C=C(Cl)COc1ccc(C[NH2+]CCOC)cc1[N+](=O)[O-] ZINC000062730736 184251365 /nfs/dbraw/zinc/25/13/65/184251365.db2.gz ZNPZWNWQTCETHF-UHFFFAOYSA-N 1 0 300.742 2.462 10 30 DEEERO OCC#Cc1csc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000062982334 184264157 /nfs/dbraw/zinc/26/41/57/184264157.db2.gz RLWMAEWZIWGKCL-INIZCTEOSA-N 1 0 304.459 2.152 10 30 DEEERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)N(C)[C@@H](C)CC#N)c1 ZINC000063096540 184270734 /nfs/dbraw/zinc/27/07/34/184270734.db2.gz JXDKLAWOLXVXEK-WFASDCNBSA-N 1 0 309.435 2.280 10 30 DEEERO [NH3+]CC#Cc1ccc(Cn2sc3ccccc3c2=O)s1 ZINC000159203342 197335704 /nfs/dbraw/zinc/33/57/04/197335704.db2.gz UYWQVCRKXMUDIG-UHFFFAOYSA-N 1 0 300.408 2.483 10 30 DEEERO CC[C@H]1C[N@H+](Cc2cc(OC)ccc2C#CCO)CCS1 ZINC000158025676 197237155 /nfs/dbraw/zinc/23/71/55/197237155.db2.gz UPQSCKNNULPXBC-KRWDZBQOSA-N 1 0 305.443 2.366 10 30 DEEERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000157456383 197189229 /nfs/dbraw/zinc/18/92/29/197189229.db2.gz FTITXTWMLREQPB-BBRMVZONSA-N 1 0 300.406 2.086 10 30 DEEERO N#Cc1ccc2ncc(C[NH+]3CCC(Cn4cccn4)CC3)n2c1 ZINC000122072916 195397397 /nfs/dbraw/zinc/39/73/97/195397397.db2.gz FSQZPMOGPHEVLY-UHFFFAOYSA-N 1 0 320.400 2.315 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000054779917 132487874 /nfs/dbraw/zinc/48/78/74/132487874.db2.gz BXBXMJQFJDWOAL-OAHLLOKOSA-N 1 0 315.417 2.174 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000175898243 132516169 /nfs/dbraw/zinc/51/61/69/132516169.db2.gz KQWCYKUUXNMZNT-UHFFFAOYSA-N 1 0 314.433 2.281 10 30 DEEERO CC(C)n1cc(C[NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)nn1 ZINC000377339853 133326676 /nfs/dbraw/zinc/32/66/76/133326676.db2.gz OOJXOQKCWCQZHL-MRXNPFEDSA-N 1 0 324.432 2.489 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)C(C)C ZINC000356355997 404471781 /nfs/dbraw/zinc/47/17/81/404471781.db2.gz XZWMQWJJURMICR-HZMVEIRTSA-N 1 0 306.450 2.226 10 30 DEEERO CC[NH+]1CCN([C@H](C)CNC(=O)C[C@@H]2CCCCNC2=O)CC1 ZINC000329858197 404474832 /nfs/dbraw/zinc/47/48/32/404474832.db2.gz ZXIXQSOBSBMTTC-CABCVRRESA-N 1 0 324.469 2.116 10 30 DEEERO Cc1cc(=O)[nH]cc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329872418 404478102 /nfs/dbraw/zinc/47/81/02/404478102.db2.gz BKJQXEOEMXGEAZ-UHFFFAOYSA-N 1 0 319.405 2.045 10 30 DEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cccc(C#N)c2)C1 ZINC000247487716 145139169 /nfs/dbraw/zinc/13/91/69/145139169.db2.gz WRJDVJZZVRLZGC-XJKSGUPXSA-N 1 0 300.406 2.086 10 30 DEEERO N#Cc1cnc(NC[C@H]2[NH2+]CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000261889987 145238033 /nfs/dbraw/zinc/23/80/33/145238033.db2.gz NOWLGJQQEQTUBF-CQSZACIVSA-N 1 0 309.329 2.160 10 30 DEEERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1OC ZINC000112531103 401748366 /nfs/dbraw/zinc/74/83/66/401748366.db2.gz JWOLKXKBSRFVGB-STQMWFEESA-N 1 0 319.405 2.115 10 30 DEEERO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(F)c(F)c1 ZINC000007018592 401735398 /nfs/dbraw/zinc/73/53/98/401735398.db2.gz KOYSAECJTOAHGD-QFYYESIMSA-N 1 0 307.344 2.424 10 30 DEEERO CC(C)c1csc([C@@H]2CCCN(CC(=O)NCC#N)C2)n1 ZINC000127743411 401748018 /nfs/dbraw/zinc/74/80/18/401748018.db2.gz PEZDVWCGMADXFA-GFCCVEGCSA-N 1 0 306.435 2.086 10 30 DEEERO C=CCCCN(C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000076978186 401802182 /nfs/dbraw/zinc/80/21/82/401802182.db2.gz KMJFVNIHBAOMKU-OAHLLOKOSA-N 1 0 309.454 2.095 10 30 DEEERO Cc1ccc(C#N)cc1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000114736887 401808991 /nfs/dbraw/zinc/80/89/91/401808991.db2.gz ZJHLCLDAHGINGB-CQSZACIVSA-N 1 0 321.446 2.019 10 30 DEEERO CCN/C(=[NH+]/CC)SCC(=O)N1CCc2sccc2C1 ZINC000029409594 401856588 /nfs/dbraw/zinc/85/65/88/401856588.db2.gz RYLZBUGJDDCAKZ-UHFFFAOYSA-N 1 0 311.476 2.351 10 30 DEEERO C=CCC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1ccccc1 ZINC000089515051 401950933 /nfs/dbraw/zinc/95/09/33/401950933.db2.gz WUZCLYHCELYYCX-IAGOWNOFSA-N 1 0 302.418 2.267 10 30 DEEERO C[NH+](C)CCCN(CCC#N)C(=O)c1scnc1C1CC1 ZINC000089849605 401967968 /nfs/dbraw/zinc/96/79/68/401967968.db2.gz AEVWEHNVRKLKJD-UHFFFAOYSA-N 1 0 306.435 2.328 10 30 DEEERO C=CCCC[N@@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000121074728 402013132 /nfs/dbraw/zinc/01/31/32/402013132.db2.gz OXGNRVXWYPRVMI-UHFFFAOYSA-N 1 0 312.435 2.462 10 30 DEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000121075862 402013729 /nfs/dbraw/zinc/01/37/29/402013729.db2.gz LHJVZXJPOZIMIH-LSDHHAIUSA-N 1 0 310.438 2.075 10 30 DEEERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000092097813 402001836 /nfs/dbraw/zinc/00/18/36/402001836.db2.gz SGZLKQXBFQHHRC-MRXNPFEDSA-N 1 0 301.390 2.080 10 30 DEEERO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092795428 402009259 /nfs/dbraw/zinc/00/92/59/402009259.db2.gz DDJHLPLYWIWXCK-CYBMUJFWSA-N 1 0 306.435 2.085 10 30 DEEERO CC[C@](C)(O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000123296829 402120469 /nfs/dbraw/zinc/12/04/69/402120469.db2.gz CATWGEIGJDCYEX-SFHVURJKSA-N 1 0 301.434 2.227 10 30 DEEERO C#CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000124570988 402186201 /nfs/dbraw/zinc/18/62/01/402186201.db2.gz NWWWVMRJWOXZGJ-ZBFHGGJFSA-N 1 0 300.402 2.253 10 30 DEEERO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)s1 ZINC000176966303 402355232 /nfs/dbraw/zinc/35/52/32/402355232.db2.gz SFXXGNPVHSOYKS-INIZCTEOSA-N 1 0 313.426 2.409 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000185162138 402329836 /nfs/dbraw/zinc/32/98/36/402329836.db2.gz LEYQXPJNBNNHIB-IAGOWNOFSA-N 1 0 317.433 2.060 10 30 DEEERO C=CCN1CCC([NH2+][C@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000186325427 402421848 /nfs/dbraw/zinc/42/18/48/402421848.db2.gz AVMXIFUOEFTLDS-IRXDYDNUSA-N 1 0 308.466 2.201 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000245428052 402459889 /nfs/dbraw/zinc/45/98/89/402459889.db2.gz MJMARFMKTHHMBL-PBHICJAKSA-N 1 0 314.433 2.301 10 30 DEEERO C=CCC1(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)CCC1 ZINC000188322419 402519433 /nfs/dbraw/zinc/51/94/33/402519433.db2.gz HFZJEROPOHHCLS-KRWDZBQOSA-N 1 0 319.493 2.361 10 30 DEEERO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000188940242 402528410 /nfs/dbraw/zinc/52/84/10/402528410.db2.gz VCHKCEVXKVMYGD-KRWDZBQOSA-N 1 0 320.396 2.208 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCc2csc(CC)n2)CC1 ZINC000171686952 402609321 /nfs/dbraw/zinc/60/93/21/402609321.db2.gz IYNIIVTXFRUIEW-UHFFFAOYSA-N 1 0 308.451 2.155 10 30 DEEERO C[C@@H]1CCN(c2ncc(Br)cc2C#N)[C@H](C[NH3+])C1 ZINC000261565166 402713923 /nfs/dbraw/zinc/71/39/23/402713923.db2.gz HREFDYVRNLFDHU-SKDRFNHKSA-N 1 0 309.211 2.279 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000182832805 402720563 /nfs/dbraw/zinc/72/05/63/402720563.db2.gz QPEOYFAHFWDSHW-IAGOWNOFSA-N 1 0 319.449 2.306 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000183008207 402732244 /nfs/dbraw/zinc/73/22/44/402732244.db2.gz SITKFXRHPBEQLC-QMMMGPOBSA-N 1 0 301.799 2.064 10 30 DEEERO C=CCN1CCC([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192539392 402735780 /nfs/dbraw/zinc/73/57/80/402735780.db2.gz AESIZQKJINZFNR-UHFFFAOYSA-N 1 0 317.458 2.340 10 30 DEEERO C#CCOc1ccccc1C[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000174518090 402744985 /nfs/dbraw/zinc/74/49/85/402744985.db2.gz JGRFXIZBVOMQSY-KRWDZBQOSA-N 1 0 324.428 2.191 10 30 DEEERO CC[NH+]=C(NCc1cc(F)cc2c1OCOC2)N1CCCC1 ZINC000263241338 402749541 /nfs/dbraw/zinc/74/95/41/402749541.db2.gz LHTYYQWHBWJUBL-UHFFFAOYSA-N 1 0 307.369 2.254 10 30 DEEERO N#Cc1cccc(-c2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)on2)c1 ZINC000279181599 402913369 /nfs/dbraw/zinc/91/33/69/402913369.db2.gz HYOWFRRGIWDVBI-OAHLLOKOSA-N 1 0 322.368 2.133 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000273433660 403004502 /nfs/dbraw/zinc/00/45/02/403004502.db2.gz LOZQNNOXHQOHSP-GDBMZVCRSA-N 1 0 320.433 2.131 10 30 DEEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282048656 403117280 /nfs/dbraw/zinc/11/72/80/403117280.db2.gz LYYCJGUAEMTIFZ-HUUCEWRRSA-N 1 0 316.449 2.090 10 30 DEEERO C=CCn1c(-c2ccccc2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000282355698 403146351 /nfs/dbraw/zinc/14/63/51/403146351.db2.gz SQMMNYOEDLGWAE-UHFFFAOYSA-N 1 0 309.417 2.416 10 30 DEEERO C=CCN(CC1CCCCC1)C(=O)CN1CC[NH+](CC)CC1 ZINC000345629393 403411278 /nfs/dbraw/zinc/41/12/78/403411278.db2.gz NGGBXGQIGDGGIJ-UHFFFAOYSA-N 1 0 307.482 2.219 10 30 DEEERO C=CCOCC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000294031578 403629289 /nfs/dbraw/zinc/62/92/89/403629289.db2.gz ICFJKQDUFKKPPX-GOEBONIOSA-N 1 0 308.809 2.404 10 30 DEEERO Cc1cc(NC2CCN(CC[NH+](C)C)CC2)c(C#N)c(C)n1 ZINC000301767046 403675655 /nfs/dbraw/zinc/67/56/55/403675655.db2.gz HRKPZFXFDBISOV-UHFFFAOYSA-N 1 0 301.438 2.008 10 30 DEEERO C=CCC[C@H](O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000305059420 403815006 /nfs/dbraw/zinc/81/50/06/403815006.db2.gz GCYAOFAPWDUNRQ-SFHVURJKSA-N 1 0 316.445 2.342 10 30 DEEERO C=CCn1c(-c2cccnc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000289649871 403989443 /nfs/dbraw/zinc/98/94/43/403989443.db2.gz LOIDYHUNNGKYLY-GDBMZVCRSA-N 1 0 324.432 2.199 10 30 DEEERO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CC)CC1 ZINC000289869908 404004120 /nfs/dbraw/zinc/00/41/20/404004120.db2.gz YZHFDFMBFMBOHQ-UHFFFAOYSA-N 1 0 322.416 2.145 10 30 DEEERO Cn1ncc2c1C[C@H](C(=O)N[C@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC000328680161 404130115 /nfs/dbraw/zinc/13/01/15/404130115.db2.gz UKLAFWKWRYNGHA-HIFRSBDPSA-N 1 0 316.449 2.498 10 30 DEEERO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCO[C@H]1C1CC1)c1ccccc1 ZINC000328813721 404155870 /nfs/dbraw/zinc/15/58/70/404155870.db2.gz BTVRXJIHERMIAV-IKGGRYGDSA-N 1 0 317.433 2.360 10 30 DEEERO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000328813722 404156590 /nfs/dbraw/zinc/15/65/90/404156590.db2.gz BTVRXJIHERMIAV-IXDOHACOSA-N 1 0 317.433 2.360 10 30 DEEERO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3ccnn3C)C2)CC[N@@H+]1C ZINC000329692166 404424841 /nfs/dbraw/zinc/42/48/41/404424841.db2.gz GUAWYJVNTIVILI-KKUMJFAQSA-N 1 0 319.453 2.076 10 30 DEEERO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352563157 404458385 /nfs/dbraw/zinc/45/83/85/404458385.db2.gz PAXXZGDHBWDPHD-LSDHHAIUSA-N 1 0 302.484 2.335 10 30 DEEERO C=CCN(CC(=O)NCc1cnn(-c2ccccc2)c1)C1CC1 ZINC000357554723 404738063 /nfs/dbraw/zinc/73/80/63/404738063.db2.gz QBLVWRBZZIBSPJ-UHFFFAOYSA-N 1 0 310.401 2.139 10 30 DEEERO C=CC1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]CC)CC1 ZINC000414823436 404743099 /nfs/dbraw/zinc/74/30/99/404743099.db2.gz OPSQIADCGUDTRS-UHFFFAOYSA-N 1 0 315.417 2.159 10 30 DEEERO C=C(C)Cn1c(C2CC2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000359109412 404784054 /nfs/dbraw/zinc/78/40/54/404784054.db2.gz OMEWMQNTSDTPAH-HIFRSBDPSA-N 1 0 301.438 2.405 10 30 DEEERO C=C(C)Cn1c(COCC)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000359220386 404787562 /nfs/dbraw/zinc/78/75/62/404787562.db2.gz GJPNSBRGMABYRS-GJZGRUSLSA-N 1 0 319.453 2.064 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451343809 404962180 /nfs/dbraw/zinc/96/21/80/404962180.db2.gz PZZDZUTVIGVIRG-BBWFWOEESA-N 1 0 306.450 2.203 10 30 DEEERO CC1(C)CN(Cc2cccc(C#N)c2F)C[C@@]2(CCOC2)O1 ZINC000361524152 405115372 /nfs/dbraw/zinc/11/53/72/405115372.db2.gz JJOAHBHVOVXXLJ-QGZVFWFLSA-N 1 0 304.365 2.467 10 30 DEEERO CCC[N@@H+]1CC[C@H](CNC(=O)NCC2CCC(C#N)CC2)C1 ZINC000440924323 405331212 /nfs/dbraw/zinc/33/12/12/405331212.db2.gz MXDJFDAEDPLVMT-UYSNPLJNSA-N 1 0 306.454 2.347 10 30 DEEERO C=CCOc1ccc(C[N@@H+](CCOC)[C@@H]2CCOC2)cc1OC ZINC000426513356 405365905 /nfs/dbraw/zinc/36/59/05/405365905.db2.gz HXGNVEZBKICASD-MRXNPFEDSA-N 1 0 321.417 2.497 10 30 DEEERO C=CCc1cc(C[N@@H+](CCOC)[C@@H]2CCOC2)cc(OC)c1O ZINC000426527583 405367049 /nfs/dbraw/zinc/36/70/49/405367049.db2.gz YEEQYTJEBIBWDH-MRXNPFEDSA-N 1 0 321.417 2.367 10 30 DEEERO C=CCc1ccc(OCC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(OC)c1 ZINC000638658890 405599568 /nfs/dbraw/zinc/59/95/68/405599568.db2.gz UXMRFDMNSGFZNS-HIFRSBDPSA-N 1 0 318.417 2.059 10 30 DEEERO C=CCc1ccc(OCC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c(OC)c1 ZINC000638658892 405599802 /nfs/dbraw/zinc/59/98/02/405599802.db2.gz UXMRFDMNSGFZNS-ZFWWWQNUSA-N 1 0 318.417 2.059 10 30 DEEERO C=CC[C@@]1(C(=O)N(C)Cc2c(C)nn(CC)c2C)CCC[NH2+]1 ZINC000638828307 405696426 /nfs/dbraw/zinc/69/64/26/405696426.db2.gz BRAUDLPXRRCQTD-KRWDZBQOSA-N 1 0 304.438 2.177 10 30 DEEERO C=CCCC(C)(C)CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000638874088 405732251 /nfs/dbraw/zinc/73/22/51/405732251.db2.gz FFUYABKNKKLOJP-UHFFFAOYSA-N 1 0 319.453 2.233 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000567692765 406121073 /nfs/dbraw/zinc/12/10/73/406121073.db2.gz CKBDJDSHKRVWEY-VBQJREDUSA-N 1 0 316.401 2.088 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000637195655 406207461 /nfs/dbraw/zinc/20/74/61/406207461.db2.gz XZGZNJWBDPOHLG-CQSZACIVSA-N 1 0 323.481 2.084 10 30 DEEERO C=CCOc1cccnc1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634763101 406271390 /nfs/dbraw/zinc/27/13/90/406271390.db2.gz NXTRHYTZSRNOGT-CYBMUJFWSA-N 1 0 303.406 2.154 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000570165828 406354996 /nfs/dbraw/zinc/35/49/96/406354996.db2.gz NWFBXORBGYCBPB-QXSJWSMHSA-N 1 0 309.454 2.282 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634980744 406384207 /nfs/dbraw/zinc/38/42/07/406384207.db2.gz MOQDPKFKXVJTSL-OAHLLOKOSA-N 1 0 309.431 2.308 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634961216 406372684 /nfs/dbraw/zinc/37/26/84/406372684.db2.gz OGHFJICPGRVHJT-HNNXBMFYSA-N 1 0 309.431 2.308 10 30 DEEERO C#C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000491793490 406723631 /nfs/dbraw/zinc/72/36/31/406723631.db2.gz LSUDKUGKPBRTDF-KBPBESRZSA-N 1 0 321.218 2.334 10 30 DEEERO C=CCc1cc(C[NH2+]C2(CC(=O)OC)CC2)cc(OC)c1O ZINC000572727580 406727899 /nfs/dbraw/zinc/72/78/99/406727899.db2.gz IQOVAITVXRZCGH-UHFFFAOYSA-N 1 0 305.374 2.315 10 30 DEEERO N#Cc1c(Cl)cccc1N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC000130842203 196115299 /nfs/dbraw/zinc/11/52/99/196115299.db2.gz YNODXDGYPVNIIK-ZDUSSCGKSA-N 1 0 304.825 2.213 10 30 DEEERO N#CCOc1ccccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000193875952 225168600 /nfs/dbraw/zinc/16/86/00/225168600.db2.gz WEOCZSWEBGVVJF-UHFFFAOYSA-N 1 0 313.401 2.289 10 30 DEEERO [NH2+]=C(NC[C@H]1CCC[C@H]1O)Nc1ccc(OC(F)(F)F)cc1 ZINC000262515176 225276663 /nfs/dbraw/zinc/27/66/63/225276663.db2.gz FYDRYCLHVYPGJO-BXKDBHETSA-N 1 0 317.311 2.473 10 30 DEEERO CCn1cc([C@@H]2OCC[C@H]2CNC(=[NH2+])NC2CCCCC2)cn1 ZINC000263170222 225292433 /nfs/dbraw/zinc/29/24/33/225292433.db2.gz RYSHXSCIKAMYNR-XJKSGUPXSA-N 1 0 319.453 2.218 10 30 DEEERO [NH2+]=C(NCc1cccc(Br)c1)NC[C@@H]1CCCO1 ZINC000261872682 225258095 /nfs/dbraw/zinc/25/80/95/225258095.db2.gz PFSITJKKSGYOQR-LBPRGKRZSA-N 1 0 312.211 2.032 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000333165918 226102310 /nfs/dbraw/zinc/10/23/10/226102310.db2.gz IFXLJJQXFBPLNF-JYJNAYRXSA-N 1 0 304.438 2.339 10 30 DEEERO Cc1cc(C#N)nc(NC[C@H](C(C)C)[NH+]2CCCCCC2)n1 ZINC000561102767 424890062 /nfs/dbraw/zinc/89/00/62/424890062.db2.gz XPRFJTMPHOQHLZ-MRXNPFEDSA-N 1 0 301.438 2.969 10 30 DEEERO C[C@H](NC(=O)c1ccnc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000193851912 267178784 /nfs/dbraw/zinc/17/87/84/267178784.db2.gz NFXWEJPGVCXWII-GUYCJALGSA-N 1 0 308.385 2.374 10 30 DEEERO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000408043787 267264832 /nfs/dbraw/zinc/26/48/32/267264832.db2.gz LLYNKCXIWRVCQU-SZMVWBNQSA-N 1 0 318.392 2.449 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000459040347 276918283 /nfs/dbraw/zinc/91/82/83/276918283.db2.gz KBLWSEHFHAMVQY-BBWFWOEESA-N 1 0 321.465 2.380 10 30 DEEERO C[N@@H+]1CCO[C@H]2CN(c3ccc(C#N)cc3C(F)(F)F)C[C@@H]21 ZINC000153112678 277131424 /nfs/dbraw/zinc/13/14/24/277131424.db2.gz MJPVNNIXLAHLSE-KBPBESRZSA-N 1 0 311.307 2.096 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@]12CCOC2)C(C)C ZINC000422172001 277851116 /nfs/dbraw/zinc/85/11/16/277851116.db2.gz NSVKCLAMVQFIKB-SJLPKXTDSA-N 1 0 321.465 2.259 10 30 DEEERO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000458725167 281161910 /nfs/dbraw/zinc/16/19/10/281161910.db2.gz HBXMVVHZSAFXQB-GPANFISMSA-N 1 0 306.454 2.442 10 30 DEEERO C[C@H](CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCCCC1=O ZINC000328702848 298244047 /nfs/dbraw/zinc/24/40/47/298244047.db2.gz NXPUWZMMOYTLBH-ZIAGYGMSSA-N 1 0 307.438 2.218 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000572602084 332657851 /nfs/dbraw/zinc/65/78/51/332657851.db2.gz IFYHRYCVFJKUBA-HZPDHXFCSA-N 1 0 307.434 2.250 10 30 DEEERO CC1CC[NH+](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000188086606 333027639 /nfs/dbraw/zinc/02/76/39/333027639.db2.gz VZUJXFWMOJHFAC-UHFFFAOYSA-N 1 0 311.429 2.438 10 30 DEEERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000188008316 333156820 /nfs/dbraw/zinc/15/68/20/333156820.db2.gz DBBZODZFDHGNDY-QAPCUYQASA-N 1 0 321.465 2.154 10 30 DEEERO C#CCC(C)(C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000185690802 337250180 /nfs/dbraw/zinc/25/01/80/337250180.db2.gz HHFKELPDNAGBEW-UHFFFAOYSA-N 1 0 319.493 2.102 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000576578381 341853279 /nfs/dbraw/zinc/85/32/79/341853279.db2.gz PVYINNVIZKNVSW-JZXOWHBKSA-N 1 0 305.418 2.306 10 30 DEEERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)Oc1ccccc1C#N ZINC000246728933 519804200 /nfs/dbraw/zinc/80/42/00/519804200.db2.gz WNUIUMSTWCMSNI-HOCLYGCPSA-N 1 0 315.417 2.124 10 30 DEEERO C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000449308502 534697339 /nfs/dbraw/zinc/69/73/39/534697339.db2.gz XRSYIMNLCLMMHP-ZNMIVQPWSA-N 1 0 302.484 2.429 10 30 DEEERO C=CCOc1ccc(CN2CC[N@@H+](CCO)C[C@@H]2C)cc1Cl ZINC000449788025 534883401 /nfs/dbraw/zinc/88/34/01/534883401.db2.gz XFOYJPDAYBCJRC-AWEZNQCLSA-N 1 0 324.852 2.403 10 30 DEEERO C[NH+]=C(NC1CCC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000262015792 526344245 /nfs/dbraw/zinc/34/42/45/526344245.db2.gz XRKXMMBWSIOEBR-GFCCVEGCSA-N 1 0 307.829 2.031 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CC[NH3+] ZINC000418524887 526347788 /nfs/dbraw/zinc/34/77/88/526347788.db2.gz MCUMGHDEQCSZPQ-LBPRGKRZSA-N 1 0 306.366 2.030 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262348440 526350137 /nfs/dbraw/zinc/35/01/37/526350137.db2.gz GYMWGDVYUIQEOU-ZFWWWQNUSA-N 1 0 317.389 2.498 10 30 DEEERO C[NH+]=C(NCC1CCCC1)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000261724118 526351988 /nfs/dbraw/zinc/35/19/88/526351988.db2.gz LASXWGCIEMNWOF-AWEZNQCLSA-N 1 0 309.454 2.416 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H](CCOC)C2)CC1 ZINC000363820237 526424768 /nfs/dbraw/zinc/42/47/68/526424768.db2.gz MJTSWKJARWQNIH-INIZCTEOSA-N 1 0 323.481 2.485 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195508023 526536291 /nfs/dbraw/zinc/53/62/91/526536291.db2.gz DJBXQNXHWRVWKY-CQSZACIVSA-N 1 0 304.438 2.402 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247580818 526538273 /nfs/dbraw/zinc/53/82/73/526538273.db2.gz YKRDAAHJTCLHHX-HUUCEWRRSA-N 1 0 304.438 2.023 10 30 DEEERO C=CCNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000338235056 526582624 /nfs/dbraw/zinc/58/26/24/526582624.db2.gz GUEUNYHRTDRFFL-INIZCTEOSA-N 1 0 302.422 2.264 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248601064 526699932 /nfs/dbraw/zinc/69/99/32/526699932.db2.gz AGOPHDHIVUBKHR-CRAIPNDOSA-N 1 0 316.445 2.472 10 30 DEEERO C=CCOCC[NH+]1CCC(n2ncc(C(=O)OCC)c2C)CC1 ZINC000339186991 526770603 /nfs/dbraw/zinc/77/06/03/526770603.db2.gz XVJFEGUGKPOOSX-UHFFFAOYSA-N 1 0 321.421 2.208 10 30 DEEERO C=CCOCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000373338408 526781282 /nfs/dbraw/zinc/78/12/82/526781282.db2.gz DONKXLAJHFPKHE-WBVHZDCISA-N 1 0 317.433 2.009 10 30 DEEERO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000418169472 526880773 /nfs/dbraw/zinc/88/07/73/526880773.db2.gz PYQVMQSUFXNIII-CZUORRHYSA-N 1 0 303.406 2.049 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417603250 526944948 /nfs/dbraw/zinc/94/49/48/526944948.db2.gz XJLGFHSDARMKSJ-HIFRSBDPSA-N 1 0 303.406 2.049 10 30 DEEERO C=CC[C@@H](CC)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000341388849 527040139 /nfs/dbraw/zinc/04/01/39/527040139.db2.gz WUUJLZHQGHFPAL-SJORKVTESA-N 1 0 322.497 2.153 10 30 DEEERO C=CCC1(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)CCC1 ZINC000191515737 527040157 /nfs/dbraw/zinc/04/01/57/527040157.db2.gz QRLMHGWZVQHJJT-OAHLLOKOSA-N 1 0 306.450 2.445 10 30 DEEERO C=CCC1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCOCC1 ZINC000424699111 527051435 /nfs/dbraw/zinc/05/14/35/527051435.db2.gz VJVYIEFDMNKTSQ-MQVJKMGUSA-N 1 0 306.450 2.491 10 30 DEEERO CC(=O)[C@@](C)(O)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000331349046 527137354 /nfs/dbraw/zinc/13/73/54/527137354.db2.gz XNDNCFKVZAFXKV-SFHVURJKSA-N 1 0 318.417 2.104 10 30 DEEERO C=CCn1c(CC(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000351174084 527312928 /nfs/dbraw/zinc/31/29/28/527312928.db2.gz XFWOGVPOAZVLKS-LSDHHAIUSA-N 1 0 303.454 2.336 10 30 DEEERO COc1cc(C#N)ccc1OCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246971614 536883965 /nfs/dbraw/zinc/88/39/65/536883965.db2.gz LCKJFKJLHQJQCE-HOCLYGCPSA-N 1 0 315.417 2.114 10 30 DEEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262197388 637869070 /nfs/dbraw/zinc/86/90/70/637869070.db2.gz GWJBKBVOYHHCMU-LOWDOPEQSA-N 1 0 321.387 2.434 10 30 DEEERO COc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1C#N ZINC000742368244 638064766 /nfs/dbraw/zinc/06/47/66/638064766.db2.gz AIMBPZHJZMIKJT-UHFFFAOYSA-N 1 0 309.360 2.386 10 30 DEEERO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000744854821 638252890 /nfs/dbraw/zinc/25/28/90/638252890.db2.gz ORNKMEVGMNJMLK-INIZCTEOSA-N 1 0 303.381 2.065 10 30 DEEERO C[NH+]=C(NCCNc1nc2ccccc2s1)N[C@@H]1C[C@H]1C ZINC000083908625 641197598 /nfs/dbraw/zinc/19/75/98/641197598.db2.gz DDXINIRTHLMBHS-ZYHUDNBSSA-N 1 0 303.435 2.282 10 30 DEEERO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000323651452 642854104 /nfs/dbraw/zinc/85/41/04/642854104.db2.gz IXWUTRUHUBPHAM-ZIAGYGMSSA-N 1 0 324.218 2.464 10 30 DEEERO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCN(CC)C2=O)c(O)c1 ZINC000801646021 645426886 /nfs/dbraw/zinc/42/68/86/645426886.db2.gz KEJOPNQUBKWDMP-PWDRBQJJSA-N 1 0 303.406 2.278 10 30 DEEERO C=C(C[NH+](C)C)C(=O)N1CCC([C@H](O)c2ccccc2C)CC1 ZINC000804507711 645784168 /nfs/dbraw/zinc/78/41/68/645784168.db2.gz KQLMIIILYCPWPQ-SFHVURJKSA-N 1 0 316.445 2.385 10 30 DEEERO C#CCOCCC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000166545694 646525575 /nfs/dbraw/zinc/52/55/75/646525575.db2.gz XRIKHTPRJMIKRX-GOSISDBHSA-N 1 0 315.413 2.482 10 30 DEEERO C#CCNC(=O)c1ccc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)nc1 ZINC000732922797 647713860 /nfs/dbraw/zinc/71/38/60/647713860.db2.gz KNPVVGXZBUKKGD-GJZGRUSLSA-N 1 0 314.433 2.119 10 30 DEEERO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCCN2CCOC)cc1 ZINC000113334944 651699048 /nfs/dbraw/zinc/69/90/48/651699048.db2.gz FWPUCWFHBUWPHT-SFHVURJKSA-N 1 0 316.445 2.289 10 30 DEEERO CC[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)Oc1cccc(F)c1 ZINC000084501354 684003715 /nfs/dbraw/zinc/00/37/15/684003715.db2.gz WTPIYIFXMAJODB-UKRRQHHQSA-N 1 0 309.385 2.066 10 30 DEEERO CCC[NH+]1CCC(CNC(=O)c2ccccc2OCC#N)CC1 ZINC000195390868 685097430 /nfs/dbraw/zinc/09/74/30/685097430.db2.gz XLWIVBFLJPIRJV-UHFFFAOYSA-N 1 0 315.417 2.441 10 30 DEEERO C=C(Br)CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000246144425 685124217 /nfs/dbraw/zinc/12/42/17/685124217.db2.gz JRYYNPAZBVBIBJ-RYUDHWBXSA-N 1 0 316.243 2.163 10 30 DEEERO COC(=O)c1cc(CNC(=[NH2+])NC2CCCCC2)ccc1OC ZINC000303905320 685240206 /nfs/dbraw/zinc/24/02/06/685240206.db2.gz VLEXXAQOKOSWPI-UHFFFAOYSA-N 1 0 319.405 2.219 10 30 DEEERO C=CC[C@@H](CO)[NH2+][C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000720783911 1086131995 /nfs/dbraw/zinc/13/19/95/1086131995.db2.gz SUEGCDCTYXSMJT-IRXDYDNUSA-N 1 0 318.417 2.314 10 30 DEEERO C[NH+](C)CC[C@@H]1CCN(c2ncc(Br)cc2C#N)C1 ZINC000701525177 1086367406 /nfs/dbraw/zinc/36/74/06/1086367406.db2.gz LUYCMTOCWCQVAB-LLVKDONJSA-N 1 0 323.238 2.494 10 30 DEEERO C#CCC[C@@H](O)C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000717848997 1091325122 /nfs/dbraw/zinc/32/51/22/1091325122.db2.gz DWJPZNGUGTUAHH-LSDHHAIUSA-N 1 0 312.454 2.147 10 30 DEEERO C#CCC[C@H](O)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000719274395 1092000466 /nfs/dbraw/zinc/00/04/66/1092000466.db2.gz OBCWNDPDDSCJCR-VIFPVBQESA-N 1 0 303.225 2.078 10 30 DEEERO Cc1ccnc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1C#N ZINC000612086990 361742661 /nfs/dbraw/zinc/74/26/61/361742661.db2.gz OYFLPHFWNZBGRZ-MRXNPFEDSA-N 1 0 314.433 2.343 10 30 DEEERO C[C@@H](C(=O)Nc1ccc(Br)cc1C#N)C1C[NH2+]C1 ZINC000164723505 197663041 /nfs/dbraw/zinc/66/30/41/197663041.db2.gz VNPZKNHHZDGUOZ-MRVPVSSYSA-N 1 0 308.179 2.115 10 30 DEEERO COc1ccc(C#CCCO)c(C[N@@H+]2CCCSCC2)c1 ZINC000087786696 185231645 /nfs/dbraw/zinc/23/16/45/185231645.db2.gz IZXGDHGBYZUCPJ-UHFFFAOYSA-N 1 0 305.443 2.368 10 30 DEEERO N#Cc1ccccc1Oc1nc(NN)[nH+]cc1Br ZINC000087881004 185234433 /nfs/dbraw/zinc/23/44/33/185234433.db2.gz XKIVOQGNVVNMKE-UHFFFAOYSA-N 1 0 306.123 2.189 10 30 DEEERO N#Cc1ccccc1Nc1nc(NN)[nH+]cc1Br ZINC000087896764 185235743 /nfs/dbraw/zinc/23/57/43/185235743.db2.gz LBPHKFWPHOIYNB-UHFFFAOYSA-N 1 0 305.139 2.140 10 30 DEEERO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](C)CO ZINC000088195654 185241589 /nfs/dbraw/zinc/24/15/89/185241589.db2.gz UHAAANFMOQKPAL-NSHDSACASA-N 1 0 312.207 2.179 10 30 DEEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000613160083 362022933 /nfs/dbraw/zinc/02/29/33/362022933.db2.gz PRYQTZQWMBWOFG-QGZVFWFLSA-N 1 0 323.481 2.038 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)COc2c(OC)cccc2OC)C1 ZINC000625700562 365875263 /nfs/dbraw/zinc/87/52/63/365875263.db2.gz KGQKLPSUXJKCTK-HUUCEWRRSA-N 1 0 321.417 2.342 10 30 DEEERO C=CC[C@H]1CC[N@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000625703962 365877199 /nfs/dbraw/zinc/87/71/99/365877199.db2.gz QGDABTPNTAUIFH-INIZCTEOSA-N 1 0 313.445 2.063 10 30 DEEERO Cc1ccc(C#CC[NH3+])c(C(=O)N2CCS[C@H](C)[C@@H]2C)c1 ZINC000133664573 186004842 /nfs/dbraw/zinc/00/48/42/186004842.db2.gz JEUGHKIJUGLVEP-UONOGXRCSA-N 1 0 302.443 2.271 10 30 DEEERO C=CCC[C@@H](C[NH+](C)C)Oc1ccc(C(=O)N2CCOCC2)o1 ZINC000072475975 191176538 /nfs/dbraw/zinc/17/65/38/191176538.db2.gz QSBFRTMWMSKHKR-AWEZNQCLSA-N 1 0 322.405 2.027 10 30 DEEERO C=CC(C)(C)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617705573 363227474 /nfs/dbraw/zinc/22/74/74/363227474.db2.gz YMDGAAKEMZPJKR-MRXNPFEDSA-N 1 0 302.418 2.082 10 30 DEEERO C=CCCC[NH+]1CCN(c2ncc(C(=O)OCC)s2)CC1 ZINC000075968691 355116184 /nfs/dbraw/zinc/11/61/84/355116184.db2.gz HMNRNBRYTYETQH-UHFFFAOYSA-N 1 0 309.435 2.408 10 30 DEEERO N#Cc1cc(Br)ccc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261557669 283087286 /nfs/dbraw/zinc/08/72/86/283087286.db2.gz CTAHHEAABRYBPC-PWSUYJOCSA-N 1 0 306.207 2.366 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@]3(CCCOC3)C2)CC1 ZINC000083231834 355466268 /nfs/dbraw/zinc/46/62/68/355466268.db2.gz VHBYIMSQTGLXRI-GOSISDBHSA-N 1 0 321.465 2.239 10 30 DEEERO C=CCCC[C@@H](C)[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000091506378 355600381 /nfs/dbraw/zinc/60/03/81/355600381.db2.gz JYSFTJZASUXANH-QGZVFWFLSA-N 1 0 307.482 2.361 10 30 DEEERO C=CCCC[C@H](C)[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000091591083 355601233 /nfs/dbraw/zinc/60/12/33/355601233.db2.gz GGAXXHRWSGFXAL-DLBZAZTESA-N 1 0 307.482 2.360 10 30 DEEERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(F)c2C#N)C1 ZINC000188720212 283163434 /nfs/dbraw/zinc/16/34/34/283163434.db2.gz WLGLRRDHXKJJGL-WBMJQRKESA-N 1 0 301.365 2.254 10 30 DEEERO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C#N)cn1C)CC(C)C ZINC000081758254 192320195 /nfs/dbraw/zinc/32/01/95/192320195.db2.gz PMQIOAOZVLVOJG-OAHLLOKOSA-N 1 0 304.438 2.383 10 30 DEEERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc(C#N)cn2C)C1 ZINC000081710438 192316689 /nfs/dbraw/zinc/31/66/89/192316689.db2.gz LJOFUJHKXBWJHN-ZIAGYGMSSA-N 1 0 316.449 2.383 10 30 DEEERO C[C@@H]1CCC[C@@](CNC(=O)c2cc(C#N)cn2C)([NH+](C)C)C1 ZINC000081709473 192316823 /nfs/dbraw/zinc/31/68/23/192316823.db2.gz YNYKCYYDYXXVJA-CXAGYDPISA-N 1 0 302.422 2.137 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccccc1F ZINC000593064803 357999930 /nfs/dbraw/zinc/99/99/30/357999930.db2.gz PTTBCCGDVPSMAD-FZMZJTMJSA-N 1 0 307.369 2.267 10 30 DEEERO CC(C)[N@H+]1C[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)[C@@H](C)C1 ZINC000594232892 358228510 /nfs/dbraw/zinc/22/85/10/358228510.db2.gz XPLRGJBJTVMUEC-GUYCJALGSA-N 1 0 312.417 2.312 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1sccc1C#N ZINC000180840877 199217538 /nfs/dbraw/zinc/21/75/38/199217538.db2.gz OUWKQDFZVSWKNX-ZIAGYGMSSA-N 1 0 318.446 2.117 10 30 DEEERO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(=O)NCc1cccs1 ZINC000595840763 358562290 /nfs/dbraw/zinc/56/22/90/358562290.db2.gz DTRXBLVPEMQQJD-BETUJISGSA-N 1 0 319.430 2.257 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000595877782 358570416 /nfs/dbraw/zinc/57/04/16/358570416.db2.gz KDLGGSQALGRFSP-DZGCQCFKSA-N 1 0 315.417 2.049 10 30 DEEERO C=CCOCC[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000600733093 359814367 /nfs/dbraw/zinc/81/43/67/359814367.db2.gz BGADUCMRVSUPDD-UHFFFAOYSA-N 1 0 313.438 2.042 10 30 DEEERO N#Cc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000193424649 201050612 /nfs/dbraw/zinc/05/06/12/201050612.db2.gz QCTLJIYOENOHBY-UHFFFAOYSA-N 1 0 312.417 2.480 10 30 DEEERO CO[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000619426052 363789220 /nfs/dbraw/zinc/78/92/20/363789220.db2.gz PSDUVESHZIGQDY-SJORKVTESA-N 1 0 314.433 2.469 10 30 DEEERO C[NH+](C)CCCC1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000193725267 201112471 /nfs/dbraw/zinc/11/24/71/201112471.db2.gz MOUYDTQAIZYXED-UHFFFAOYSA-N 1 0 300.406 2.147 10 30 DEEERO CS(=O)(=O)Nc1cccc(C[NH2+]CC2CCC(C#N)CC2)c1 ZINC000619655149 363849411 /nfs/dbraw/zinc/84/94/11/363849411.db2.gz BPYYRHBZTVHWNN-UHFFFAOYSA-N 1 0 321.446 2.478 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000623403902 365016604 /nfs/dbraw/zinc/01/66/04/365016604.db2.gz KXYVOQZOIWLIGQ-BZUAXINKSA-N 1 0 309.454 2.093 10 30 DEEERO C=CCC[C@@H](CCC)[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000624080521 365280477 /nfs/dbraw/zinc/28/04/77/365280477.db2.gz SROLCCBJDMYHFF-SJLPKXTDSA-N 1 0 310.482 2.327 10 30 DEEERO C=CC(C)(C)CC[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000629588141 367265596 /nfs/dbraw/zinc/26/55/96/367265596.db2.gz IIUMISGKTXSMSJ-CYBMUJFWSA-N 1 0 307.390 2.347 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(C2CC[NH+](C3CCCC3)CC2)C1=O ZINC000630968393 367941591 /nfs/dbraw/zinc/94/15/91/367941591.db2.gz USUCMVVHHYPTJL-HNNXBMFYSA-N 1 0 305.422 2.280 10 30 DEEERO C=CCOc1ccc(C[NH2+]CC[C@H](O)C(F)F)cc1OC ZINC000631219152 368086276 /nfs/dbraw/zinc/08/62/76/368086276.db2.gz LFILRNXUJSTSCC-LBPRGKRZSA-N 1 0 301.333 2.366 10 30 DEEERO [NH3+]CC#Cc1cnc(NC(=O)c2ccc(F)c(F)c2F)s1 ZINC000094185226 193347963 /nfs/dbraw/zinc/34/79/63/193347963.db2.gz FWFYSHJBFHWONF-UHFFFAOYSA-N 1 0 311.288 2.123 10 30 DEEERO CN(Cc1cc(C#CC[NH3+])cs1)C(=O)c1ccccc1F ZINC000042400429 183264479 /nfs/dbraw/zinc/26/44/79/183264479.db2.gz GBDOEZVHYZUZNB-UHFFFAOYSA-N 1 0 302.374 2.470 10 30 DEEERO C#CCNC(=O)[C@@H](C)Oc1ccc(C[NH2+]CCC)cc1Cl ZINC000043479371 183365877 /nfs/dbraw/zinc/36/58/77/183365877.db2.gz WKEZEXPQIVTUKA-GFCCVEGCSA-N 1 0 308.809 2.356 10 30 DEEERO CC[NH+]1CCC(N(C)Cc2ccc(C#CCCO)s2)CC1 ZINC000043682062 183380371 /nfs/dbraw/zinc/38/03/71/183380371.db2.gz WLXUVZDFEMDYBV-UHFFFAOYSA-N 1 0 306.475 2.398 10 30 DEEERO Cn1nccc1[C@H]1[C@H](CNc2ccnc(C#N)c2)CCC[N@@H+]1C ZINC000284585707 218089147 /nfs/dbraw/zinc/08/91/47/218089147.db2.gz HJCUTRNCOYXMLA-SUMWQHHRSA-N 1 0 310.405 2.182 10 30 DEEERO CCn1cc(CN2CCC[N@H+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000105870144 194151740 /nfs/dbraw/zinc/15/17/40/194151740.db2.gz IJMWOHQJKBQVCU-UHFFFAOYSA-N 1 0 323.444 2.483 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886874 194157758 /nfs/dbraw/zinc/15/77/58/194157758.db2.gz JGJPVGMLDZVVOM-MRXNPFEDSA-N 1 0 316.449 2.184 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000273507368 210827201 /nfs/dbraw/zinc/82/72/01/210827201.db2.gz QIPMGGLLMZBDMT-NSHDSACASA-N 1 0 310.760 2.086 10 30 DEEERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@H](C#N)C2)ncn1 ZINC000192982936 533051937 /nfs/dbraw/zinc/05/19/37/533051937.db2.gz JTDKOAVOIRJFMK-RRFJBIMHSA-N 1 0 314.437 2.159 10 30 DEEERO Cc1ccc(C(=O)N2CCSC(C)(C)C2)c(C#CC[NH3+])c1 ZINC000159028723 197320095 /nfs/dbraw/zinc/32/00/95/197320095.db2.gz GJFUKVCIJRZVAQ-UHFFFAOYSA-N 1 0 302.443 2.273 10 30 DEEERO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCC[C@@H]1O ZINC000157259996 197174193 /nfs/dbraw/zinc/17/41/93/197174193.db2.gz PCCAGYAJBXHKND-OLZOCXBDSA-N 1 0 307.419 2.184 10 30 DEEERO C[C@H](NC(=O)[C@H]1CCCCS1)c1ccc(C#CC[NH3+])cc1 ZINC000156279637 197101314 /nfs/dbraw/zinc/10/13/14/197101314.db2.gz MOTVREKMYQCMNT-XJKSGUPXSA-N 1 0 302.443 2.460 10 30 DEEERO C=C[C@H](CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000135982663 335056458 /nfs/dbraw/zinc/05/64/58/335056458.db2.gz FPSZQZTUVFDOCZ-BRWVUGGUSA-N 1 0 316.445 2.260 10 30 DEEERO N#C[C@]1(N2CCC[NH2+]CC2)CCc2cc(Br)ccc21 ZINC000127594027 195891819 /nfs/dbraw/zinc/89/18/19/195891819.db2.gz CCXKVTYNFNFGCF-OAHLLOKOSA-N 1 0 320.234 2.409 10 30 DEEERO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCCO1 ZINC000193125306 533344673 /nfs/dbraw/zinc/34/46/73/533344673.db2.gz IKGZPTPDXPYKON-ZBFHGGJFSA-N 1 0 301.390 2.090 10 30 DEEERO C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC000262697536 533361201 /nfs/dbraw/zinc/36/12/01/533361201.db2.gz FFUYGQUBBYAPRM-RYUDHWBXSA-N 1 0 311.813 2.143 10 30 DEEERO C=CCn1c(COCC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000350792354 404471604 /nfs/dbraw/zinc/47/16/04/404471604.db2.gz LQZAQZNPKNOSLC-LSDHHAIUSA-N 1 0 321.469 2.167 10 30 DEEERO C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000249108998 145178993 /nfs/dbraw/zinc/17/89/93/145178993.db2.gz QIIREPMTIDNWJA-DLBZAZTESA-N 1 0 306.369 2.128 10 30 DEEERO CN1Cc2ccccc2[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000371090647 148061933 /nfs/dbraw/zinc/06/19/33/148061933.db2.gz VTAMOTYLFRFCDR-GOSISDBHSA-N 1 0 317.396 2.482 10 30 DEEERO C=CC1CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000111260092 401705138 /nfs/dbraw/zinc/70/51/38/401705138.db2.gz IYXJJYSGCBETJA-UHFFFAOYSA-N 1 0 324.428 2.387 10 30 DEEERO CCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC1CC1 ZINC000128146905 401764752 /nfs/dbraw/zinc/76/47/52/401764752.db2.gz RGUIEEAVGOLMPG-UHFFFAOYSA-N 1 0 306.431 2.454 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000128277582 401770048 /nfs/dbraw/zinc/77/00/48/401770048.db2.gz PXYZELVKIIQBNN-RHSMWYFYSA-N 1 0 314.433 2.430 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1ccc(C#N)cc1 ZINC000113225619 401770853 /nfs/dbraw/zinc/77/08/53/401770853.db2.gz WCTHQZGANHKPRU-UKRRQHHQSA-N 1 0 315.442 2.345 10 30 DEEERO CC(C)[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCOCC1 ZINC000077323556 401810272 /nfs/dbraw/zinc/81/02/72/401810272.db2.gz NYTYMRHTCYVORM-QGZVFWFLSA-N 1 0 318.417 2.187 10 30 DEEERO N#Cc1cccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128674390 401787727 /nfs/dbraw/zinc/78/77/27/401787727.db2.gz XOEPLQLSZDEDSC-IAGOWNOFSA-N 1 0 323.400 2.467 10 30 DEEERO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000115016232 401817378 /nfs/dbraw/zinc/81/73/78/401817378.db2.gz AXMGSBUKKYCMQS-UHFFFAOYSA-N 1 0 320.396 2.348 10 30 DEEERO CC(C)CC[NH+]1CCC(CNC(=O)c2cc(C#N)cn2C)CC1 ZINC000081808915 401898856 /nfs/dbraw/zinc/89/88/56/401898856.db2.gz RMGLHLYRAOMSDR-UHFFFAOYSA-N 1 0 316.449 2.385 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000047143292 401979156 /nfs/dbraw/zinc/97/91/56/401979156.db2.gz XYOCTBOOQDCYPN-HUUCEWRRSA-N 1 0 315.417 2.316 10 30 DEEERO C=CC[N@@H+](C)C[C@H](O)COc1cccc(Br)c1 ZINC000121286116 402026112 /nfs/dbraw/zinc/02/61/12/402026112.db2.gz DELXGKPMHRMJHT-LBPRGKRZSA-N 1 0 300.196 2.307 10 30 DEEERO Cc1ccc(O)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000122956450 402103404 /nfs/dbraw/zinc/10/34/04/402103404.db2.gz WQTZUTDPOLUEFI-UHFFFAOYSA-N 1 0 308.385 2.290 10 30 DEEERO COc1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1F ZINC000102699530 402170879 /nfs/dbraw/zinc/17/08/79/402170879.db2.gz NTWDPRFMSPANFB-PIGZYNQJSA-N 1 0 319.380 2.293 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(C#N)cc1F ZINC000176336480 402301090 /nfs/dbraw/zinc/30/10/90/402301090.db2.gz CKRXKFKWQSUBOZ-HNNXBMFYSA-N 1 0 318.396 2.323 10 30 DEEERO CC(C)[C@@](C)(O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000184962721 402312995 /nfs/dbraw/zinc/31/29/95/402312995.db2.gz ODJZTJXLNVBWAN-SFHVURJKSA-N 1 0 301.434 2.477 10 30 DEEERO C#CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000185590514 402363486 /nfs/dbraw/zinc/36/34/86/402363486.db2.gz LKENKTDDLZNGBK-RDJZCZTQSA-N 1 0 313.445 2.458 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000185162080 402329579 /nfs/dbraw/zinc/32/95/79/402329579.db2.gz LEYQXPJNBNNHIB-IRXDYDNUSA-N 1 0 317.433 2.060 10 30 DEEERO N#Cc1ccsc1NC(=O)CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177760049 402433236 /nfs/dbraw/zinc/43/32/36/402433236.db2.gz NARPQPYGGWMMNJ-CQSZACIVSA-N 1 0 318.446 2.118 10 30 DEEERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000178334028 402486146 /nfs/dbraw/zinc/48/61/46/402486146.db2.gz LTEMJTMTCHJHFN-CVEARBPZSA-N 1 0 316.401 2.255 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC000187504668 402503403 /nfs/dbraw/zinc/50/34/03/402503403.db2.gz AVSOBVTVPAHINK-GOEBONIOSA-N 1 0 309.454 2.093 10 30 DEEERO N#Cc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000170936122 402543110 /nfs/dbraw/zinc/54/31/10/402543110.db2.gz JRAKYYZYIZDBDL-OAHLLOKOSA-N 1 0 316.380 2.077 10 30 DEEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000178751912 402534542 /nfs/dbraw/zinc/53/45/42/402534542.db2.gz OYFLGPDOYZMTRJ-KRWDZBQOSA-N 1 0 323.400 2.166 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171441837 402587507 /nfs/dbraw/zinc/58/75/07/402587507.db2.gz OJZQNHRULVAEBA-HOCLYGCPSA-N 1 0 313.401 2.022 10 30 DEEERO Cn1cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1C#N ZINC000191620341 402682487 /nfs/dbraw/zinc/68/24/87/402682487.db2.gz MDXAFCBQRZZNES-JSGCOSHPSA-N 1 0 315.339 2.470 10 30 DEEERO C=CCS(=O)(=O)CC[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000281616411 403075210 /nfs/dbraw/zinc/07/52/10/403075210.db2.gz NKONWJZIMGANNT-AWEZNQCLSA-N 1 0 313.394 2.012 10 30 DEEERO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C#N)n2)[C@@H](c2ccccc2)C1 ZINC000302695694 403712687 /nfs/dbraw/zinc/71/26/87/403712687.db2.gz DNEMIOBVPAOBHI-MRXNPFEDSA-N 1 0 323.356 2.355 10 30 DEEERO C#CCC(CC#C)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000288045363 403714521 /nfs/dbraw/zinc/71/45/21/403714521.db2.gz FJRFZBNIUOKRMU-UHFFFAOYSA-N 1 0 312.388 2.133 10 30 DEEERO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000361724899 403825371 /nfs/dbraw/zinc/82/53/71/403825371.db2.gz DLYFLAHPXMNJQU-HUUCEWRRSA-N 1 0 317.433 2.263 10 30 DEEERO CC(=O)Nc1ccn([C@@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)n1 ZINC000328618139 404115714 /nfs/dbraw/zinc/11/57/14/404115714.db2.gz DJZHXYMLJBETJO-MRXNPFEDSA-N 1 0 314.389 2.430 10 30 DEEERO CNC(=O)C1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000329393996 404324948 /nfs/dbraw/zinc/32/49/48/404324948.db2.gz UZWVRDSIRCPXCX-PPWQZUPISA-N 1 0 322.453 2.214 10 30 DEEERO C[C@@H](C(=O)Nc1nccs1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000330115578 404556510 /nfs/dbraw/zinc/55/65/10/404556510.db2.gz FSZUPLDNNIMRTG-UWVGGRQHSA-N 1 0 306.395 2.117 10 30 DEEERO Cc1ccc2ncc(C#N)c(N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1 ZINC000291975439 404609159 /nfs/dbraw/zinc/60/91/59/404609159.db2.gz PIGFSMJUCJFVIU-QZTJIDSGSA-N 1 0 322.412 2.324 10 30 DEEERO C#CCOc1ccccc1C[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000366251183 404779664 /nfs/dbraw/zinc/77/96/64/404779664.db2.gz OLVKCBJKJOPBBH-PKOBYXMFSA-N 1 0 315.413 2.469 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1noc(CC)n1)C(C)C ZINC000359398377 404792943 /nfs/dbraw/zinc/79/29/43/404792943.db2.gz XEJVTZDOQNPWPA-CYBMUJFWSA-N 1 0 306.410 2.060 10 30 DEEERO C=CCNC(=O)CN(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000360178237 404820600 /nfs/dbraw/zinc/82/06/00/404820600.db2.gz HFULQLYGCPDSKC-WMZOPIPTSA-N 1 0 315.461 2.446 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000415360240 404853559 /nfs/dbraw/zinc/85/35/59/404853559.db2.gz LLZAUCJKPKBRBJ-ZDUSSCGKSA-N 1 0 317.433 2.331 10 30 DEEERO C=CCCC[C@@H](C)[NH+]1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC000353582294 404871735 /nfs/dbraw/zinc/87/17/35/404871735.db2.gz QLRGOEQKQACGFH-CYBMUJFWSA-N 1 0 306.410 2.446 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000424174308 405029781 /nfs/dbraw/zinc/02/97/81/405029781.db2.gz OCNXEVHSTIKUMK-KBPBESRZSA-N 1 0 307.390 2.393 10 30 DEEERO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000408041540 405097364 /nfs/dbraw/zinc/09/73/64/405097364.db2.gz CVLGZLAUFOPZNE-SQNIBIBYSA-N 1 0 318.392 2.449 10 30 DEEERO C[N@H+](CCOCCC#N)C1CCN(CCC(F)(F)F)CC1 ZINC000452121040 405182365 /nfs/dbraw/zinc/18/23/65/405182365.db2.gz SBDUAMORMPEPLY-UHFFFAOYSA-N 1 0 307.360 2.265 10 30 DEEERO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C#N)n1C ZINC000452347270 405206828 /nfs/dbraw/zinc/20/68/28/405206828.db2.gz ZEADRVLOFSFVPZ-AWEZNQCLSA-N 1 0 302.422 2.137 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000437807556 405220959 /nfs/dbraw/zinc/22/09/59/405220959.db2.gz ZTPFDYQRWGFEKQ-JYJNAYRXSA-N 1 0 311.470 2.243 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000425354137 405278739 /nfs/dbraw/zinc/27/87/39/405278739.db2.gz MLEUOMBLHLHDCW-QRTARXTBSA-N 1 0 319.401 2.308 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000438451082 405247355 /nfs/dbraw/zinc/24/73/55/405247355.db2.gz GTUUTOPDCHNGOX-VQHPVUNQSA-N 1 0 323.481 2.339 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000425673467 405312562 /nfs/dbraw/zinc/31/25/62/405312562.db2.gz YKGAJGQUJUQPHI-HOCLYGCPSA-N 1 0 309.454 2.141 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000425851556 405324218 /nfs/dbraw/zinc/32/42/18/405324218.db2.gz HOMCZXSOEZRYMY-BBWFWOEESA-N 1 0 321.465 2.237 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000425850823 405324306 /nfs/dbraw/zinc/32/43/06/405324306.db2.gz GPRPRYRQKZSCDH-RDJZCZTQSA-N 1 0 321.465 2.237 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000448606189 405426381 /nfs/dbraw/zinc/42/63/81/405426381.db2.gz NPANPXYFEUSXLJ-INIZCTEOSA-N 1 0 314.364 2.069 10 30 DEEERO CC[NH+](CC)CC1CCN(C(=O)c2cc(C#N)[nH]c2C)CC1 ZINC000448825455 405452701 /nfs/dbraw/zinc/45/27/01/405452701.db2.gz RMOWBGGJWNDFPO-UHFFFAOYSA-N 1 0 302.422 2.389 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000580570533 405648462 /nfs/dbraw/zinc/64/84/62/405648462.db2.gz BWLGTPFTEQCVKI-MRXNPFEDSA-N 1 0 323.481 2.182 10 30 DEEERO C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633606045 405741509 /nfs/dbraw/zinc/74/15/09/405741509.db2.gz YXMIZBLIUCMXQJ-HOCLYGCPSA-N 1 0 304.438 2.309 10 30 DEEERO C=CC[C@]1(C(=O)Nc2cc(C(=O)NCC)sc2C)CCC[NH2+]1 ZINC000638994595 405806744 /nfs/dbraw/zinc/80/67/44/405806744.db2.gz OSXHENXDSSGVPQ-MRXNPFEDSA-N 1 0 321.446 2.443 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000529667635 405763569 /nfs/dbraw/zinc/76/35/69/405763569.db2.gz ALCFSBNUXUWZKY-HDICACEKSA-N 1 0 305.418 2.064 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000584167325 405838538 /nfs/dbraw/zinc/83/85/38/405838538.db2.gz WIMQNUNOXIIOHV-VBNZEHGJSA-N 1 0 302.353 2.214 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433028776 405855425 /nfs/dbraw/zinc/85/54/25/405855425.db2.gz DBGJCJUHDQYFIX-OAHLLOKOSA-N 1 0 314.389 2.023 10 30 DEEERO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(c3ccccc3)C2)C1=O ZINC000639132457 405911227 /nfs/dbraw/zinc/91/12/27/405911227.db2.gz OPTLKJSSISYXPN-FUHWJXTLSA-N 1 0 313.445 2.232 10 30 DEEERO C=CCC[C@H](CO)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000637367124 406279825 /nfs/dbraw/zinc/27/98/25/406279825.db2.gz IOJCDFUEVCFRKB-ZBFHGGJFSA-N 1 0 309.454 2.020 10 30 DEEERO C=CCN(C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1CC1 ZINC000637666906 406384018 /nfs/dbraw/zinc/38/40/18/406384018.db2.gz JFGWRWNCRLNNQT-UHFFFAOYSA-N 1 0 303.410 2.332 10 30 DEEERO C=C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000489470032 406409696 /nfs/dbraw/zinc/40/96/96/406409696.db2.gz FNQUAJBWYOBIDG-KGLIPLIRSA-N 1 0 305.374 2.196 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571462254 406524490 /nfs/dbraw/zinc/52/44/90/406524490.db2.gz YVVMZYNQYJRQPD-BZSNNMDCSA-N 1 0 314.429 2.216 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000173050632 287121640 /nfs/dbraw/zinc/12/16/40/287121640.db2.gz JRJYFUFFSJIWDH-ZIAGYGMSSA-N 1 0 317.433 2.418 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)N2CCCSCC2)cc1Cl ZINC000129062483 196016420 /nfs/dbraw/zinc/01/64/20/196016420.db2.gz SSMATCJRBSXUMI-UHFFFAOYSA-N 1 0 308.834 2.229 10 30 DEEERO CSC[C@@H](C)CNC(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129161995 196024549 /nfs/dbraw/zinc/02/45/49/196024549.db2.gz FNUKDRGTSZVWSM-NSHDSACASA-N 1 0 310.850 2.379 10 30 DEEERO C[NH2+][C@H](C)c1cc(Br)ccc1-n1cnc(C#N)n1 ZINC000129210682 196029657 /nfs/dbraw/zinc/02/96/57/196029657.db2.gz FFEMWBNPRXVAME-MRVPVSSYSA-N 1 0 306.167 2.182 10 30 DEEERO C=CCN(C1CC1)S(=O)(=O)c1cc(C[NH2+]CC)ccc1C ZINC000132307473 196244782 /nfs/dbraw/zinc/24/47/82/196244782.db2.gz PWJABXJHNQQAGC-UHFFFAOYSA-N 1 0 308.447 2.444 10 30 DEEERO C[C@@]1(C(=O)Nc2ccc(Br)cc2C#N)CC[NH2+]C1 ZINC000132446508 196257354 /nfs/dbraw/zinc/25/73/54/196257354.db2.gz TZMFRUQZBYHASB-CYBMUJFWSA-N 1 0 308.179 2.259 10 30 DEEERO [NH2+]=C(NCC1CCN(CC(F)(F)F)CC1)NC1CCCCC1 ZINC000187126882 224977985 /nfs/dbraw/zinc/97/79/85/224977985.db2.gz OJPZTGZREJHZAM-UHFFFAOYSA-N 1 0 320.403 2.498 10 30 DEEERO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000246311362 225226179 /nfs/dbraw/zinc/22/61/79/225226179.db2.gz CKXFKFOHVATOON-MAUKXSAKSA-N 1 0 318.848 2.344 10 30 DEEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000262363452 225268518 /nfs/dbraw/zinc/26/85/18/225268518.db2.gz HGBKLBPLCVNNTK-BPLDGKMQSA-N 1 0 303.406 2.373 10 30 DEEERO [NH2+]=C(NCc1cc(F)c(Cl)cc1F)NC[C@H]1CCCO1 ZINC000262822844 225286140 /nfs/dbraw/zinc/28/61/40/225286140.db2.gz PSTJRPMVYJHOGA-SECBINFHSA-N 1 0 303.740 2.202 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000194661101 424877702 /nfs/dbraw/zinc/87/77/02/424877702.db2.gz YFCAFJSDEHSUMS-INIZCTEOSA-N 1 0 317.458 2.392 10 30 DEEERO Brc1cccc(Br)c1NC1=[NH+]CCN1 ZINC000026174232 275373404 /nfs/dbraw/zinc/37/34/04/275373404.db2.gz XIVCHYWIEHVAJG-UHFFFAOYSA-N 1 0 319.000 2.392 10 30 DEEERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000174142999 276114598 /nfs/dbraw/zinc/11/45/98/276114598.db2.gz AWQSYOOUWCODQL-GDBMZVCRSA-N 1 0 315.417 2.268 10 30 DEEERO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C#N)cc3C(F)(F)F)C[C@@H]21 ZINC000153112765 277124590 /nfs/dbraw/zinc/12/45/90/277124590.db2.gz MJPVNNIXLAHLSE-UONOGXRCSA-N 1 0 311.307 2.096 10 30 DEEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000329631066 297089798 /nfs/dbraw/zinc/08/97/98/297089798.db2.gz ICPMBUJAJCTFDL-UNEWFSDZSA-N 1 0 304.438 2.194 10 30 DEEERO C=CCc1cc(CNC(=O)[C@]2(C)CCC[NH2+]2)cc(OC)c1OC ZINC000583929038 331473127 /nfs/dbraw/zinc/47/31/27/331473127.db2.gz VAWHIFCBZZKPFJ-SFHVURJKSA-N 1 0 318.417 2.191 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000556330676 331669001 /nfs/dbraw/zinc/66/90/01/331669001.db2.gz IQNVTBORPAQUIR-WQVCFCJDSA-N 1 0 306.381 2.326 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000584109588 331766711 /nfs/dbraw/zinc/76/67/11/331766711.db2.gz RAPCRCIKXAMTRK-OVWQWFNUSA-N 1 0 323.481 2.387 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000185574707 335141395 /nfs/dbraw/zinc/14/13/95/335141395.db2.gz SCSWMJNSSHSURX-AWEZNQCLSA-N 1 0 318.465 2.283 10 30 DEEERO C=CCOc1ccc(C[NH+]2CCC3(CNC(=O)N3C)CC2)cc1 ZINC000425376664 334861144 /nfs/dbraw/zinc/86/11/44/334861144.db2.gz YIIQGQCMKXQAQG-UHFFFAOYSA-N 1 0 315.417 2.241 10 30 DEEERO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccccc21 ZINC000365144183 519617902 /nfs/dbraw/zinc/61/79/02/519617902.db2.gz XYLZPEZKTOQPKV-QGZVFWFLSA-N 1 0 308.385 2.484 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCC[C@H]1O)Nc1cccc(OC(F)(F)F)c1 ZINC000262367353 534834279 /nfs/dbraw/zinc/83/42/79/534834279.db2.gz KTWAEAMPJYQSNU-JOYOIKCWSA-N 1 0 317.311 2.473 10 30 DEEERO C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000262426689 526347554 /nfs/dbraw/zinc/34/75/54/526347554.db2.gz HXPZVNPCPQZOPM-UONOGXRCSA-N 1 0 308.470 2.035 10 30 DEEERO C[NH+]=C(NCc1cccc(OC)n1)N(C)Cc1csc(C)n1 ZINC000261769965 526384088 /nfs/dbraw/zinc/38/40/88/526384088.db2.gz PDUSXLCLXVEELP-UHFFFAOYSA-N 1 0 319.434 2.063 10 30 DEEERO C[NH+]=C(NCc1nc(-c2cccc(Cl)c2)no1)N[C@@H]1C[C@@H]1C ZINC000262559171 526389416 /nfs/dbraw/zinc/38/94/16/526389416.db2.gz VUUCTVRAEYPUOF-JOYOIKCWSA-N 1 0 319.796 2.463 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515816 526525541 /nfs/dbraw/zinc/52/55/41/526525541.db2.gz LKGPZZUQHCHGGK-INIZCTEOSA-N 1 0 316.449 2.240 10 30 DEEERO C=C(C)CNC(=[NH2+])NCc1ccc(Br)cc1OC ZINC000186860982 526574980 /nfs/dbraw/zinc/57/49/80/526574980.db2.gz BIJKHZRTKWSBJJ-UHFFFAOYSA-N 1 0 312.211 2.438 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247699814 526632807 /nfs/dbraw/zinc/63/28/07/526632807.db2.gz XORIHKVIOMBSMS-USXIJHARSA-N 1 0 302.418 2.265 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377244621 526672711 /nfs/dbraw/zinc/67/27/11/526672711.db2.gz VHJNEMAOKQBULR-GOSISDBHSA-N 1 0 308.425 2.288 10 30 DEEERO C=CCOCCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000374745232 526776032 /nfs/dbraw/zinc/77/60/32/526776032.db2.gz WGPHRNCFWFXJPM-KRWDZBQOSA-N 1 0 323.481 2.343 10 30 DEEERO C=CCOc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000261866583 526841996 /nfs/dbraw/zinc/84/19/96/526841996.db2.gz RWLULYKTWPCCFX-IYBDPMFKSA-N 1 0 300.402 2.323 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@H]2CCc3c2cccc3F)CC1 ZINC000299281416 526931449 /nfs/dbraw/zinc/93/14/49/526931449.db2.gz SDIZJDLYYLCRGQ-KRWDZBQOSA-N 1 0 300.377 2.274 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417603248 526943662 /nfs/dbraw/zinc/94/36/62/526943662.db2.gz XJLGFHSDARMKSJ-DZGCQCFKSA-N 1 0 303.406 2.049 10 30 DEEERO C#CCOc1ccc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1 ZINC000246779651 527101670 /nfs/dbraw/zinc/10/16/70/527101670.db2.gz QDLVHRSHHNRXCC-GBESFXJTSA-N 1 0 315.413 2.467 10 30 DEEERO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000337769087 527279722 /nfs/dbraw/zinc/27/97/22/527279722.db2.gz CSBHOSKXNRJMBY-UHFFFAOYSA-N 1 0 313.405 2.256 10 30 DEEERO CCOc1cc2c(cc1CNC(N[C@@H]1C[C@@H]1C)=[NH+]C)O[C@H](C)C2 ZINC000262173359 528337717 /nfs/dbraw/zinc/33/77/17/528337717.db2.gz CSSLDAZUALGBNI-YWPYICTPSA-N 1 0 317.433 2.482 10 30 DEEERO CC[NH+]=C(NCC1CCC1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261980245 528803884 /nfs/dbraw/zinc/80/38/84/528803884.db2.gz OSROJSMYNJFLRX-OAHLLOKOSA-N 1 0 302.422 2.300 10 30 DEEERO CC[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261994671 528819725 /nfs/dbraw/zinc/81/97/25/528819725.db2.gz SCNZYGAFEPXQOJ-ZIAGYGMSSA-N 1 0 302.422 2.299 10 30 DEEERO CC[NH+]=C(N[C@H](C)Cc1c(C)nn(C)c1C)N[C@@H]1CC1(C)C ZINC000261854812 528821047 /nfs/dbraw/zinc/82/10/47/528821047.db2.gz YMEMARFOKJNIEL-IAQYHMDHSA-N 1 0 305.470 2.322 10 30 DEEERO CCC1(CC)CCN(C(NCc2nnc3ccccn32)=[NH+]C)C1 ZINC000261955805 529044569 /nfs/dbraw/zinc/04/45/69/529044569.db2.gz IQHCKPFCSLOGJA-UHFFFAOYSA-N 1 0 314.437 2.317 10 30 DEEERO C[C@@]1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCCc2ccccc21 ZINC000091517446 625088750 /nfs/dbraw/zinc/08/87/50/625088750.db2.gz SHPIFNDGFQYDJY-YJBOKZPZSA-N 1 0 301.434 2.364 10 30 DEEERO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735310887 633500984 /nfs/dbraw/zinc/50/09/84/633500984.db2.gz FQUPNCVNBSMWPD-NSHDSACASA-N 1 0 310.781 2.483 10 30 DEEERO C=C[C@](C)(CCOC)C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000187599592 635301398 /nfs/dbraw/zinc/30/13/98/635301398.db2.gz HNHFQHGNIACIAB-DOTOQJQBSA-N 1 0 313.438 2.115 10 30 DEEERO CO[C@H]1C[C@@H](C(=O)NCc2nc3c(s2)CCCC3)N(C)C1 ZINC000328985400 636333954 /nfs/dbraw/zinc/33/39/54/636333954.db2.gz ZPWBNHDHPPAKJP-JQWIXIFHSA-N 1 0 309.435 2.198 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000805184875 640103658 /nfs/dbraw/zinc/10/36/58/640103658.db2.gz XJCPFWHSFQRRGX-NVXWUHKLSA-N 1 0 301.434 2.260 10 30 DEEERO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCc1cccc(N(C)C)c1 ZINC000805876927 643649749 /nfs/dbraw/zinc/64/97/49/643649749.db2.gz URJJUSOEARJHSD-GOSISDBHSA-N 1 0 314.429 2.326 10 30 DEEERO C=C(C[NH+](C)C)C(=O)N1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000804507710 645783988 /nfs/dbraw/zinc/78/39/88/645783988.db2.gz KQLMIIILYCPWPQ-GOSISDBHSA-N 1 0 316.445 2.385 10 30 DEEERO CCN(C[C@H](C)C#N)Cn1cnc2c1ncnc2NC(C)C ZINC000170902819 646674250 /nfs/dbraw/zinc/67/42/50/646674250.db2.gz NPTAISNCASGIQO-GFCCVEGCSA-N 1 0 301.398 2.086 10 30 DEEERO N#CCN1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000730579185 647363595 /nfs/dbraw/zinc/36/35/95/647363595.db2.gz ZUUNBNMZMBYQAA-UHFFFAOYSA-N 1 0 308.769 2.326 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1COc2ccccc21 ZINC000121393711 649475212 /nfs/dbraw/zinc/47/52/12/649475212.db2.gz GKZAWEXBUPKAJF-GOEBONIOSA-N 1 0 301.386 2.440 10 30 DEEERO Cn1cc(C#N)cc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000083769553 683999144 /nfs/dbraw/zinc/99/91/44/683999144.db2.gz KAUYIEGMBFZYPB-INIZCTEOSA-N 1 0 309.369 2.328 10 30 DEEERO C#CCCOc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1 ZINC000159616664 684318162 /nfs/dbraw/zinc/31/81/62/684318162.db2.gz OPUZAWNYVXOMDT-ZBFHGGJFSA-N 1 0 300.402 2.175 10 30 DEEERO CCC(CC)[C@H](CNC(=[NH2+])NC1CCCCC1)N1CCOCC1 ZINC000303771955 685233637 /nfs/dbraw/zinc/23/36/37/685233637.db2.gz DCOCZDBJZHITRL-KRWDZBQOSA-N 1 0 324.513 2.360 10 30 DEEERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NCc2cccc(C#N)c2F)C1 ZINC000886082541 692000158 /nfs/dbraw/zinc/00/01/58/692000158.db2.gz MTMVLOWHZUVUNE-BBWFWOEESA-N 1 0 317.408 2.429 10 30 DEEERO C[C@@](O)(C[NH2+]CCOC(F)(F)F)C(F)(F)C(F)(F)F ZINC000724060077 777233407 /nfs/dbraw/zinc/23/34/07/777233407.db2.gz SROUYHGIBVQHTN-RXMQYKEDSA-N 1 0 305.165 2.061 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)C[NH+]1CCCC1 ZINC000745260704 784705450 /nfs/dbraw/zinc/70/54/50/784705450.db2.gz FSLVOYBUHDQBIK-QGZVFWFLSA-N 1 0 319.405 2.040 10 30 DEEERO C=CCc1cc(C[NH2+][C@@H](CCO)CSC)cc(OC)c1O ZINC000077461499 1080474557 /nfs/dbraw/zinc/47/45/57/1080474557.db2.gz WHOOQJGBVTYBCA-AWEZNQCLSA-N 1 0 311.447 2.333 10 30 DEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000076733817 185036780 /nfs/dbraw/zinc/03/67/80/185036780.db2.gz SVKQFHSWOJGGAR-AWEZNQCLSA-N 1 0 318.417 2.376 10 30 DEEERO C=CCN(CC)S(=O)(=O)c1cccc(C[NH2+]C2CC2)c1C ZINC000162583097 197576637 /nfs/dbraw/zinc/57/66/37/197576637.db2.gz INFQGOAYIIFAGY-UHFFFAOYSA-N 1 0 308.447 2.444 10 30 DEEERO C=CCN(C(C)(C)C)S(=O)(=O)c1cc(C[NH2+]C)n(CC)c1 ZINC000162674090 197583939 /nfs/dbraw/zinc/58/39/39/197583939.db2.gz IAECVIWOLJCHSJ-UHFFFAOYSA-N 1 0 313.467 2.203 10 30 DEEERO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc(C#N)cs2)cn1 ZINC000328632887 231268337 /nfs/dbraw/zinc/26/83/37/231268337.db2.gz LOCILDVPFUUXCR-LSDHHAIUSA-N 1 0 302.403 2.363 10 30 DEEERO C=CCN(C(C)(C)C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000165547664 197677845 /nfs/dbraw/zinc/67/78/45/197677845.db2.gz YEEUDVLEOYRVOI-UHFFFAOYSA-N 1 0 302.465 2.225 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000613209869 362039715 /nfs/dbraw/zinc/03/97/15/362039715.db2.gz LLXSSTOXKWXNLX-CVEARBPZSA-N 1 0 316.449 2.469 10 30 DEEERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccc(C#N)cc1 ZINC000090700137 185310657 /nfs/dbraw/zinc/31/06/57/185310657.db2.gz FFXOTNMIKLPBRK-HNNXBMFYSA-N 1 0 303.431 2.068 10 30 DEEERO C=CCOc1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000120877697 539453377 /nfs/dbraw/zinc/45/33/77/539453377.db2.gz UQTAAHUSMNFJJW-UHFFFAOYSA-N 1 0 309.431 2.166 10 30 DEEERO C=C(C)CCN1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000625662051 365863494 /nfs/dbraw/zinc/86/34/94/365863494.db2.gz DOZRYPHNMBPXKX-INIZCTEOSA-N 1 0 309.431 2.430 10 30 DEEERO C=CC[C@@H]1CC[N@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000625703965 365877786 /nfs/dbraw/zinc/87/77/86/365877786.db2.gz QGDABTPNTAUIFH-MRXNPFEDSA-N 1 0 313.445 2.063 10 30 DEEERO CCCN(CCC(=O)Nc1sccc1C#N)[C@H]1CC[NH2+]C1 ZINC000071331591 190959007 /nfs/dbraw/zinc/95/90/07/190959007.db2.gz FZMNFADEDICZDU-ZDUSSCGKSA-N 1 0 306.435 2.022 10 30 DEEERO C[C@@H]1SCCN(C(=O)c2ccc(F)cc2C#CC[NH3+])[C@H]1C ZINC000133677116 186005670 /nfs/dbraw/zinc/00/56/70/186005670.db2.gz XYMPCSCSYRVMFJ-RYUDHWBXSA-N 1 0 306.406 2.102 10 30 DEEERO COc1ccc(C#CCO)c(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1 ZINC000133773696 186010840 /nfs/dbraw/zinc/01/08/40/186010840.db2.gz PSPKEZOVBMZFRM-UONOGXRCSA-N 1 0 305.443 2.365 10 30 DEEERO Cc1ccc(F)cc1C(=O)NCc1sccc1C#CC[NH3+] ZINC000148675067 186045667 /nfs/dbraw/zinc/04/56/67/186045667.db2.gz LWRGWJPTYYAUNA-UHFFFAOYSA-N 1 0 302.374 2.436 10 30 DEEERO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1 ZINC000329854902 539930933 /nfs/dbraw/zinc/93/09/33/539930933.db2.gz SYWUOHAQKNAFTB-YESZJQIVSA-N 1 0 318.417 2.256 10 30 DEEERO C#CCOc1ccc(F)cc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000173470593 198218040 /nfs/dbraw/zinc/21/80/40/198218040.db2.gz POMOACXNAWBNCQ-AWEZNQCLSA-N 1 0 317.364 2.150 10 30 DEEERO Cc1nsc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1C#N ZINC000333815681 539973067 /nfs/dbraw/zinc/97/30/67/539973067.db2.gz HWHFOTOGIIBCCK-WCQYABFASA-N 1 0 319.434 2.414 10 30 DEEERO C=CCCC[C@@H](C)[NH+]1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000091514279 355599729 /nfs/dbraw/zinc/59/97/29/355599729.db2.gz MYTFSAQADSFGPX-CQSZACIVSA-N 1 0 302.484 2.477 10 30 DEEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182276919 356118549 /nfs/dbraw/zinc/11/85/49/356118549.db2.gz LOEOSCPGJWGUSF-SJCJKPOMSA-N 1 0 317.389 2.120 10 30 DEEERO C=CCCC[C@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000182621412 356134851 /nfs/dbraw/zinc/13/48/51/356134851.db2.gz YIKJRVFFQWHMCT-HNNXBMFYSA-N 1 0 316.449 2.308 10 30 DEEERO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN(CC#N)C1CCCC1 ZINC000304315373 356398025 /nfs/dbraw/zinc/39/80/25/356398025.db2.gz RKWOKLRFUFEKIH-GOSISDBHSA-N 1 0 301.434 2.247 10 30 DEEERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC2CCC(C#N)CC2)C1 ZINC000367017157 283162719 /nfs/dbraw/zinc/16/27/19/283162719.db2.gz ODPHFAJFAZIOIW-BACDZXNISA-N 1 0 318.465 2.442 10 30 DEEERO COCCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425936 358266269 /nfs/dbraw/zinc/26/62/69/358266269.db2.gz NDEWDSOAMGFHIV-INIZCTEOSA-N 1 0 303.406 2.073 10 30 DEEERO C=CCSCCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595264312 358408997 /nfs/dbraw/zinc/40/89/97/358408997.db2.gz UIHAPTALXGNJJE-HNNXBMFYSA-N 1 0 311.495 2.327 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2ccc(CC(=O)OC)cc2)CCC[NH2+]1 ZINC000595924776 358581839 /nfs/dbraw/zinc/58/18/39/358581839.db2.gz OZELAHLKAWXCPD-KRWDZBQOSA-N 1 0 302.374 2.039 10 30 DEEERO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(=O)NC1CCCCC1 ZINC000595845042 358562439 /nfs/dbraw/zinc/56/24/39/358562439.db2.gz KUJOLUPBAWWLER-GASCZTMLSA-N 1 0 305.422 2.328 10 30 DEEERO C=CCC[C@H](NCc1ccnn1-c1cc[nH+]cc1)C(=O)OCC ZINC000597148210 358835580 /nfs/dbraw/zinc/83/55/80/358835580.db2.gz AARDFDKXSNHAJM-INIZCTEOSA-N 1 0 314.389 2.255 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000599702696 359579992 /nfs/dbraw/zinc/57/99/92/359579992.db2.gz BBCMJBLXEBRDAM-QDMKHBRRSA-N 1 0 310.438 2.073 10 30 DEEERO C[NH+](C)CC1CCC(NC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188713124 200292437 /nfs/dbraw/zinc/29/24/37/200292437.db2.gz DFOPMBHYPVPIFC-UHFFFAOYSA-N 1 0 301.390 2.114 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000609201528 361289315 /nfs/dbraw/zinc/28/93/15/361289315.db2.gz KFUWYNLSUZRCNG-CQSZACIVSA-N 1 0 303.362 2.061 10 30 DEEERO CC[C@H]1CN(c2cc(C#N)c3ccccc3n2)CC[N@@H+]1C[C@@H](C)O ZINC000610276498 361378642 /nfs/dbraw/zinc/37/86/42/361378642.db2.gz ALEAOFZYPTUZON-ZBFHGGJFSA-N 1 0 324.428 2.388 10 30 DEEERO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1C ZINC000611225524 361553958 /nfs/dbraw/zinc/55/39/58/361553958.db2.gz UZYPGBOVEDQNBL-CHWSQXEVSA-N 1 0 318.396 2.321 10 30 DEEERO C=CCC[C@@H](O)C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195289573 201372268 /nfs/dbraw/zinc/37/22/68/201372268.db2.gz VJPSATOPQMCSNT-QZTJIDSGSA-N 1 0 303.450 2.162 10 30 DEEERO C=C[C@H](C(=O)OC)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000619718559 363864894 /nfs/dbraw/zinc/86/48/94/363864894.db2.gz PNEOOJREKQPXBW-DOTOQJQBSA-N 1 0 302.418 2.310 10 30 DEEERO Cc1[nH+]c2c(n1[C@H]1CCN(c3cnc(C#N)cn3)C1)CCCC2 ZINC000275507420 212381919 /nfs/dbraw/zinc/38/19/19/212381919.db2.gz XASIEDVEZOSQFK-AWEZNQCLSA-N 1 0 308.389 2.183 10 30 DEEERO C=CCC[C@H](CCC)[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624115209 365294521 /nfs/dbraw/zinc/29/45/21/365294521.db2.gz QGRRYFOXWPBGAN-GJZGRUSLSA-N 1 0 314.437 2.428 10 30 DEEERO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000624265854 365361853 /nfs/dbraw/zinc/36/18/53/365361853.db2.gz AKKYCOBLSFSETN-BQFCYCMXSA-N 1 0 303.450 2.473 10 30 DEEERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)n1C ZINC000450638926 242044695 /nfs/dbraw/zinc/04/46/95/242044695.db2.gz UWRFIFQLNHZXPQ-PBHICJAKSA-N 1 0 322.412 2.147 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(C[C@@H](c2ccco2)[NH+]2CCCC2)C1=O ZINC000630964186 367939265 /nfs/dbraw/zinc/93/92/65/367939265.db2.gz FSUMMVILMUAIHP-KGLIPLIRSA-N 1 0 317.389 2.303 10 30 DEEERO CC[C@H](C)CN(CC)S(=O)(=O)c1ccccc1C#CC[NH3+] ZINC000093265092 193222841 /nfs/dbraw/zinc/22/28/41/193222841.db2.gz HMEWKQZOTAIMPD-AWEZNQCLSA-N 1 0 308.447 2.054 10 30 DEEERO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cnc2ccc(C#N)cn12 ZINC000093686608 193290146 /nfs/dbraw/zinc/29/01/46/193290146.db2.gz WGAMUWOJGBXHMC-UHFFFAOYSA-N 1 0 314.389 2.370 10 30 DEEERO CC(C)N(CC(F)(F)F)C(=O)c1csc(C#CC[NH3+])c1 ZINC000093976217 193332824 /nfs/dbraw/zinc/33/28/24/193332824.db2.gz UZEBCWGEWJGCKY-UHFFFAOYSA-N 1 0 304.337 2.471 10 30 DEEERO Cc1cc(C(=O)NCc2ccccc2F)sc1C#CC[NH3+] ZINC000094536130 193377136 /nfs/dbraw/zinc/37/71/36/193377136.db2.gz LFZKVYJNCUGMPR-UHFFFAOYSA-N 1 0 302.374 2.436 10 30 DEEERO Cc1cc(C(=O)Nc2nc(C)cc(C)n2)sc1C#CC[NH3+] ZINC000094536271 193377197 /nfs/dbraw/zinc/37/71/97/193377197.db2.gz KFSDUDXKLYCWAA-UHFFFAOYSA-N 1 0 300.387 2.026 10 30 DEEERO Cc1cc(C(=O)N(C)C[C@H]2CCCCO2)sc1C#CC[NH3+] ZINC000094536399 193378467 /nfs/dbraw/zinc/37/84/67/193378467.db2.gz QNCRASFXSIIJJT-CYBMUJFWSA-N 1 0 306.431 2.008 10 30 DEEERO Cc1ccsc1CNC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000094883563 193405050 /nfs/dbraw/zinc/40/50/50/193405050.db2.gz ATRKOEMMZFKYAB-UHFFFAOYSA-N 1 0 302.374 2.436 10 30 DEEERO C[NH+](C)Cc1ccc([C@H](NC(=O)CC#N)c2ccncc2)cc1 ZINC000041569341 183204577 /nfs/dbraw/zinc/20/45/77/183204577.db2.gz YISLLPQNDKAMBC-SFHVURJKSA-N 1 0 308.385 2.262 10 30 DEEERO C#CCOc1ccc(Br)cc1C[NH2+]C(C)(C)CO ZINC000041641579 183213173 /nfs/dbraw/zinc/21/31/73/183213173.db2.gz KEEVMXDKUCBRHK-UHFFFAOYSA-N 1 0 312.207 2.322 10 30 DEEERO C[C@H](C[N@H+](C)Cc1ccc(Br)cc1)/C(N)=N/O ZINC000042307718 183252576 /nfs/dbraw/zinc/25/25/76/183252576.db2.gz GPSCDEXRFNZJKU-SECBINFHSA-N 1 0 300.200 2.263 10 30 DEEERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000042461377 183273141 /nfs/dbraw/zinc/27/31/41/183273141.db2.gz NYOCYVBZQZFCMQ-QWHCGFSZSA-N 1 0 309.435 2.137 10 30 DEEERO Cc1nc(NC(=O)c2ccc(C#CC[NH3+])c(F)c2)sc1C ZINC000043583078 183373114 /nfs/dbraw/zinc/37/31/14/183373114.db2.gz GWSCVNBBHGUODZ-UHFFFAOYSA-N 1 0 303.362 2.462 10 30 DEEERO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000285001653 218252337 /nfs/dbraw/zinc/25/23/37/218252337.db2.gz YHCLNVIZYPSXMI-BZSNNMDCSA-N 1 0 318.392 2.449 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105899634 194163807 /nfs/dbraw/zinc/16/38/07/194163807.db2.gz CZVZFTQQLINZIQ-MRXNPFEDSA-N 1 0 302.422 2.029 10 30 DEEERO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COC(C)(C)C ZINC000058397816 184113281 /nfs/dbraw/zinc/11/32/81/184113281.db2.gz JLVTUXAWHWOQDO-KRWDZBQOSA-N 1 0 320.433 2.183 10 30 DEEERO C=CCN(CC=C)S(=O)(=O)c1cc(C)c(F)c(C[NH2+]C)c1 ZINC000159046761 197321689 /nfs/dbraw/zinc/32/16/89/197321689.db2.gz POUJKEUJSRMAHD-UHFFFAOYSA-N 1 0 312.410 2.216 10 30 DEEERO COc1cc(C#N)ccc1OCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000158158325 197248193 /nfs/dbraw/zinc/24/81/93/197248193.db2.gz LCKJFKJLHQJQCE-GOEBONIOSA-N 1 0 315.417 2.114 10 30 DEEERO CC[C@@H]1CN(C(=O)c2ccc(C#CC[NH3+])c(F)c2)CCS1 ZINC000157981986 197232960 /nfs/dbraw/zinc/23/29/60/197232960.db2.gz NTFDRXDBNFEZGO-CQSZACIVSA-N 1 0 306.406 2.104 10 30 DEEERO N#Cc1ccc(OCC[C@@H]2CO[C@@H]3C[N@H+](CC4CC4)C[C@H]23)nc1 ZINC000247659122 257118598 /nfs/dbraw/zinc/11/85/98/257118598.db2.gz QYQAZJAWZALEDF-BRWVUGGUSA-N 1 0 313.401 2.079 10 30 DEEERO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000120977019 195275255 /nfs/dbraw/zinc/27/52/55/195275255.db2.gz FKCOQQPFHYCCCQ-OAHLLOKOSA-N 1 0 311.389 2.071 10 30 DEEERO C[NH+](C)[C@H](CNC(=O)c1ccnc(C#N)c1)c1ccc(F)cc1 ZINC000192800853 145079427 /nfs/dbraw/zinc/07/94/27/145079427.db2.gz IQABVCACMSNHPS-MRXNPFEDSA-N 1 0 312.348 2.125 10 30 DEEERO C=CCC[C@@H](C[NH+]1CCSCC1)Oc1cncc(N(C)C)n1 ZINC000072432758 401709702 /nfs/dbraw/zinc/70/97/02/401709702.db2.gz HWYYUKBMEABGRN-AWEZNQCLSA-N 1 0 322.478 2.305 10 30 DEEERO C#CCCOc1ccc(C[NH2+][C@@H]2CCc3nc(CC)nn3C2)cc1 ZINC000113338545 401776910 /nfs/dbraw/zinc/77/69/10/401776910.db2.gz OVNKUSOXCIUTBI-MRXNPFEDSA-N 1 0 324.428 2.347 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128530837 401781656 /nfs/dbraw/zinc/78/16/56/401781656.db2.gz XRAFFPMDGFRAIL-HOTGVXAUSA-N 1 0 302.422 2.157 10 30 DEEERO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)CCN1C ZINC000123071114 402109080 /nfs/dbraw/zinc/10/90/80/402109080.db2.gz FYPCRUCEUBDDAT-GXTWGEPZSA-N 1 0 320.462 2.363 10 30 DEEERO C=CC[N@@H+](CCC(=O)NC(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063287924 402112442 /nfs/dbraw/zinc/11/24/42/402112442.db2.gz ITXIWKUYPPIEJP-UHFFFAOYSA-N 1 0 305.378 2.498 10 30 DEEERO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC000123445196 402128255 /nfs/dbraw/zinc/12/82/55/402128255.db2.gz ADFWTGSEFLOFFS-HOCLYGCPSA-N 1 0 315.417 2.073 10 30 DEEERO C=CCc1cc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)cc(OC)c1O ZINC000153855566 402175444 /nfs/dbraw/zinc/17/54/44/402175444.db2.gz HSXIYBVKIXBUGP-MRXNPFEDSA-N 1 0 318.417 2.230 10 30 DEEERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000160708509 402358104 /nfs/dbraw/zinc/35/81/04/402358104.db2.gz UBLAGVBSSQUNHE-HZPDHXFCSA-N 1 0 300.406 2.377 10 30 DEEERO CC[C@H]1[C@H](C)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000185669553 402368059 /nfs/dbraw/zinc/36/80/59/402368059.db2.gz POVQWWWNEOGJFJ-CJNGLKHVSA-N 1 0 306.431 2.452 10 30 DEEERO C[C@@H](O)C[N@@H+]1CCN(CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000177130027 402372953 /nfs/dbraw/zinc/37/29/53/402372953.db2.gz ZRHUPAAXDWVANL-LSDHHAIUSA-N 1 0 306.837 2.078 10 30 DEEERO CCN(CCC#N)C(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159908496 402332687 /nfs/dbraw/zinc/33/26/87/402332687.db2.gz CXLOOSRCNZXMGV-UHFFFAOYSA-N 1 0 308.451 2.158 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000186579307 402444063 /nfs/dbraw/zinc/44/40/63/402444063.db2.gz NVQNSJICJMRZFV-CGZBRXJRSA-N 1 0 323.481 2.266 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000186966108 402474491 /nfs/dbraw/zinc/47/44/91/402474491.db2.gz ATGMJBCNNXDEGG-WMLDXEAASA-N 1 0 309.413 2.285 10 30 DEEERO C=CC[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000189641168 402549365 /nfs/dbraw/zinc/54/93/65/402549365.db2.gz MOECVMFBWHZRLK-DLBZAZTESA-N 1 0 302.418 2.135 10 30 DEEERO C#CCC[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291717044 404492342 /nfs/dbraw/zinc/49/23/42/404492342.db2.gz WGSHENHIHMNDQZ-UHFFFAOYSA-N 1 0 310.357 2.288 10 30 DEEERO CC[C@H]1CN(CC#Cc2ccc(Cl)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246477323 402532299 /nfs/dbraw/zinc/53/22/99/402532299.db2.gz XHHXQWONFXXPOY-YJBOKZPZSA-N 1 0 320.864 2.469 10 30 DEEERO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000180094937 402607062 /nfs/dbraw/zinc/60/70/62/402607062.db2.gz UTHVHTSEBHYRRZ-OLZOCXBDSA-N 1 0 302.378 2.145 10 30 DEEERO CO[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1C ZINC000251904377 402650732 /nfs/dbraw/zinc/65/07/32/402650732.db2.gz RFZGSPPQUPVDAM-XJKSGUPXSA-N 1 0 301.390 2.244 10 30 DEEERO C[N@H+](CCCSCC#N)[C@@H]1CCCN(c2cccnn2)C1 ZINC000173883797 402716890 /nfs/dbraw/zinc/71/68/90/402716890.db2.gz VCNZOTDPYBLMCA-CQSZACIVSA-N 1 0 305.451 2.024 10 30 DEEERO C=CC[C@@H](CO)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000182920178 402727414 /nfs/dbraw/zinc/72/74/14/402727414.db2.gz MIZHNCHWAMIMQC-DLBZAZTESA-N 1 0 317.433 2.060 10 30 DEEERO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCO1 ZINC000183140127 402742506 /nfs/dbraw/zinc/74/25/06/402742506.db2.gz FPDORAPOJMMOQM-IINYFYTJSA-N 1 0 307.781 2.307 10 30 DEEERO N#Cc1ccc(CSCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195333205 402842195 /nfs/dbraw/zinc/84/21/95/402842195.db2.gz CTASRYVUFRQYKV-MRXNPFEDSA-N 1 0 315.442 2.098 10 30 DEEERO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195289562 402840508 /nfs/dbraw/zinc/84/05/08/402840508.db2.gz VJPSATOPQMCSNT-ZWKOTPCHSA-N 1 0 303.450 2.162 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cc(O)c(OC)cc1Br ZINC000273534572 403013113 /nfs/dbraw/zinc/01/31/13/403013113.db2.gz VYAXJEQIVOKTLN-SNVBAGLBSA-N 1 0 316.195 2.190 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282048661 403117139 /nfs/dbraw/zinc/11/71/39/403117139.db2.gz LYYCJGUAEMTIFZ-LSDHHAIUSA-N 1 0 316.449 2.090 10 30 DEEERO C=CCn1c(-c2cccn2C)nnc1N1CC[NH+](CCC)CC1 ZINC000283561234 403206779 /nfs/dbraw/zinc/20/67/79/403206779.db2.gz QTDAEQOOROAQPC-UHFFFAOYSA-N 1 0 314.437 2.002 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)Cc2ccc(Cl)nc2C)CC1 ZINC000270690401 403213579 /nfs/dbraw/zinc/21/35/79/403213579.db2.gz FMDYGMQWQQPCKO-UHFFFAOYSA-N 1 0 307.825 2.353 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cccc(I)c1 ZINC000283795129 403223979 /nfs/dbraw/zinc/22/39/79/403223979.db2.gz ARDMGCVHEQPUOB-LBPRGKRZSA-N 1 0 317.170 2.318 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC000285071042 403277806 /nfs/dbraw/zinc/27/78/06/403277806.db2.gz KCCADKZLVYMPCO-JSGCOSHPSA-N 1 0 312.335 2.278 10 30 DEEERO C=CCCC[C@@H](C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000343535438 403626402 /nfs/dbraw/zinc/62/64/02/403626402.db2.gz RZQZLNDWCTVAKM-OAHLLOKOSA-N 1 0 316.449 2.308 10 30 DEEERO C=CCCC[C@H](C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000343535411 403626796 /nfs/dbraw/zinc/62/67/96/403626796.db2.gz RZQZLNDWCTVAKM-HNNXBMFYSA-N 1 0 316.449 2.308 10 30 DEEERO N#Cc1cccc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000301662493 403660692 /nfs/dbraw/zinc/66/06/92/403660692.db2.gz VBFLUHUUJHCIQI-QZTJIDSGSA-N 1 0 320.396 2.043 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000288249749 403743253 /nfs/dbraw/zinc/74/32/53/403743253.db2.gz STMOBKPPOAJECV-RTBURBONSA-N 1 0 323.440 2.277 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000288259859 403743813 /nfs/dbraw/zinc/74/38/13/403743813.db2.gz FSNXKSVFILNPAK-LPHOPBHVSA-N 1 0 308.425 2.428 10 30 DEEERO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000305052451 403813037 /nfs/dbraw/zinc/81/30/37/403813037.db2.gz DCHVYXOAVKVHNT-CVEARBPZSA-N 1 0 317.433 2.368 10 30 DEEERO C[N@@H+]1CC[C@@H](CNC(=O)c2ncccc2O)[C@@H]1c1cccnc1 ZINC000328632724 404119489 /nfs/dbraw/zinc/11/94/89/404119489.db2.gz SBPNUIVQLLTDLN-BBRMVZONSA-N 1 0 312.373 2.180 10 30 DEEERO C[C@](C#N)(NC(=O)CN1CCC[C@@H](n2cccn2)C1)C1CC1 ZINC000328715814 404136376 /nfs/dbraw/zinc/13/63/76/404136376.db2.gz SXKVTKPEIJNRAZ-GDBMZVCRSA-N 1 0 301.394 2.169 10 30 DEEERO CC1CC(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1 ZINC000329050265 404214377 /nfs/dbraw/zinc/21/43/77/404214377.db2.gz KOVSYZLDQQFHRT-NQKKVCCDSA-N 1 0 319.453 2.105 10 30 DEEERO C#CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369741529 404214785 /nfs/dbraw/zinc/21/47/85/404214785.db2.gz MQTQBVKAGZQZBR-ZFWWWQNUSA-N 1 0 305.447 2.454 10 30 DEEERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328877126 404166256 /nfs/dbraw/zinc/16/62/56/404166256.db2.gz IJKZLOHRFBPPLT-OCVGTWLNSA-N 1 0 309.454 2.178 10 30 DEEERO Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCCCO2)CCC[N@@H+]1C ZINC000328988398 404192043 /nfs/dbraw/zinc/19/20/43/404192043.db2.gz CKZHXQZEVCYRRH-CWRNSKLLSA-N 1 0 320.437 2.329 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000344516127 404196689 /nfs/dbraw/zinc/19/66/89/404196689.db2.gz ONOHRQAYXCYXLF-FVQBIDKESA-N 1 0 300.402 2.350 10 30 DEEERO C=CC(C)(C)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412776711 404409294 /nfs/dbraw/zinc/40/92/94/404409294.db2.gz VUFRYMUMUDGRII-UHFFFAOYSA-N 1 0 316.445 2.342 10 30 DEEERO C=CCn1c(N(C)[C@H]2CC[N@@H+](C3CC3)C2)nnc1C(C)(C)C ZINC000351077525 404510037 /nfs/dbraw/zinc/51/00/37/404510037.db2.gz WOYQDEDPKRLKGS-AWEZNQCLSA-N 1 0 303.454 2.435 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000358283334 404759095 /nfs/dbraw/zinc/75/90/95/404759095.db2.gz UJENTXSFYCNMMX-GOEBONIOSA-N 1 0 309.454 2.020 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000415510649 404874487 /nfs/dbraw/zinc/87/44/87/404874487.db2.gz KOGZADWYGBOKPC-CYBMUJFWSA-N 1 0 317.433 2.188 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000451319021 404952113 /nfs/dbraw/zinc/95/21/13/404952113.db2.gz GMIBIZGMSGWOSB-MRXNPFEDSA-N 1 0 322.412 2.149 10 30 DEEERO N#Cc1cnccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000367436794 405048614 /nfs/dbraw/zinc/04/86/14/405048614.db2.gz SXTROEVDBARGRK-SFHVURJKSA-N 1 0 322.412 2.078 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccccc1OCC(=O)OC ZINC000424290776 405059310 /nfs/dbraw/zinc/05/93/10/405059310.db2.gz CGBVDLWFXHRINR-YCPHGPKFSA-N 1 0 319.401 2.480 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418692385 405169712 /nfs/dbraw/zinc/16/97/12/405169712.db2.gz FRTNKAHBSTVYJM-NWDGAFQWSA-N 1 0 306.366 2.028 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000438440333 405246697 /nfs/dbraw/zinc/24/66/97/405246697.db2.gz CQRJYNSLYGSYRX-WCVJEAGWSA-N 1 0 309.454 2.092 10 30 DEEERO N#Cc1cccc(NC(=O)C[NH2+]C2(CCO)CCCCC2)c1 ZINC000440906295 405330476 /nfs/dbraw/zinc/33/04/76/405330476.db2.gz SJNALOQKRBZZSY-UHFFFAOYSA-N 1 0 301.390 2.172 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000441053537 405333254 /nfs/dbraw/zinc/33/32/54/405333254.db2.gz WICRXVRQKIBBBC-INIZCTEOSA-N 1 0 323.481 2.269 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC23CCSCC3)CC1 ZINC000420904977 405402666 /nfs/dbraw/zinc/40/26/66/405402666.db2.gz BWUYAIRDSQYGPZ-CQSZACIVSA-N 1 0 323.506 2.469 10 30 DEEERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)n2C)C1 ZINC000448774989 405446970 /nfs/dbraw/zinc/44/69/70/405446970.db2.gz PAVWCNDYASCDMK-GOEBONIOSA-N 1 0 322.412 2.462 10 30 DEEERO C=C(C)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635819286 405532476 /nfs/dbraw/zinc/53/24/76/405532476.db2.gz ZQBXFTJMFXATMI-MJGOQNOKSA-N 1 0 314.429 2.217 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000583504478 405750701 /nfs/dbraw/zinc/75/07/01/405750701.db2.gz SFSDMTNUBFNERJ-WBVHZDCISA-N 1 0 307.434 2.499 10 30 DEEERO C=CCn1c(-c2cccnc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000562030136 405957710 /nfs/dbraw/zinc/95/77/10/405957710.db2.gz XBVVLCDRKDFUCI-MRXNPFEDSA-N 1 0 324.432 2.199 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532124545 406047763 /nfs/dbraw/zinc/04/77/63/406047763.db2.gz UQLRPHFDQJKXHY-KBPBESRZSA-N 1 0 310.438 2.121 10 30 DEEERO C=CC(C)(C)CCNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000637089614 406174093 /nfs/dbraw/zinc/17/40/93/406174093.db2.gz LXIAKLARBMAEKQ-HNNXBMFYSA-N 1 0 311.470 2.389 10 30 DEEERO C=CCN(CC(F)(F)F)C(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000637948748 406491386 /nfs/dbraw/zinc/49/13/86/406491386.db2.gz QTPFNBZYORVQBN-CYBMUJFWSA-N 1 0 316.323 2.142 10 30 DEEERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000547716153 406436132 /nfs/dbraw/zinc/43/61/32/406436132.db2.gz AYEUYIHYTDXEEP-DYVFJYSZSA-N 1 0 309.413 2.189 10 30 DEEERO C=CCCCCCNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000573697196 406775489 /nfs/dbraw/zinc/77/54/89/406775489.db2.gz PAVOHJHZPZQZQF-UHFFFAOYSA-N 1 0 303.406 2.207 10 30 DEEERO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000574769123 406785942 /nfs/dbraw/zinc/78/59/42/406785942.db2.gz TZQDWKPXSJVLDP-AWEZNQCLSA-N 1 0 306.406 2.018 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000576935367 406834030 /nfs/dbraw/zinc/83/40/30/406834030.db2.gz IVMDOUJNFDAFDA-JYJNAYRXSA-N 1 0 302.418 2.420 10 30 DEEERO C=CCNc1ncc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)s1 ZINC000129650100 196064988 /nfs/dbraw/zinc/06/49/88/196064988.db2.gz OCLJPVQWGJUBRK-CHWSQXEVSA-N 1 0 320.462 2.440 10 30 DEEERO Cc1nc(CC(C)C)oc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000190202138 225079600 /nfs/dbraw/zinc/07/96/00/225079600.db2.gz FKOJOHNCUDJLIB-UHFFFAOYSA-N 1 0 320.437 2.489 10 30 DEEERO [NH2+]=C(NCC1(N2CCOCC2)CCCCC1)NC1CCCCC1 ZINC000263269797 225295595 /nfs/dbraw/zinc/29/55/95/225295595.db2.gz WPIUZQBZASDIKW-UHFFFAOYSA-N 1 0 322.497 2.259 10 30 DEEERO N#CC1(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCC1 ZINC000333924046 226112482 /nfs/dbraw/zinc/11/24/82/226112482.db2.gz SSVSYSWAQAVIIT-HNNXBMFYSA-N 1 0 304.438 2.340 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000334090146 226114808 /nfs/dbraw/zinc/11/48/08/226114808.db2.gz NTNRQMJJKABKNH-XHSDSOJGSA-N 1 0 304.438 2.196 10 30 DEEERO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000407470396 424933024 /nfs/dbraw/zinc/93/30/24/424933024.db2.gz YRPBNUSZQQXPDY-JKSUJKDBSA-N 1 0 313.401 2.072 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)C1=O ZINC000337216282 276897821 /nfs/dbraw/zinc/89/78/21/276897821.db2.gz ZEDGZKJAXFOZIC-UICACZKSSA-N 1 0 300.402 2.316 10 30 DEEERO C#CCSCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000121419226 277696169 /nfs/dbraw/zinc/69/61/69/277696169.db2.gz XEFBWTOFCBITFI-HNNXBMFYSA-N 1 0 309.479 2.013 10 30 DEEERO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864687 280349069 /nfs/dbraw/zinc/34/90/69/280349069.db2.gz DRIRQSPYEBYISC-WBVHZDCISA-N 1 0 315.417 2.124 10 30 DEEERO C[NH+](C)CCN(C(=O)c1ccnc(C#N)c1)C1CCCCC1 ZINC000193230592 289125718 /nfs/dbraw/zinc/12/57/18/289125718.db2.gz PLTUMKAGYZKCAT-UHFFFAOYSA-N 1 0 300.406 2.290 10 30 DEEERO Cc1cccc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1C#N ZINC000189136322 302015429 /nfs/dbraw/zinc/01/54/29/302015429.db2.gz FABPQIMYRFGNBJ-AWEZNQCLSA-N 1 0 323.462 2.121 10 30 DEEERO Cn1nccc1[C@H]1[C@@H](C[NH2+]Cc2ccc(C#N)cc2)CCCN1C ZINC000343473088 303092983 /nfs/dbraw/zinc/09/29/83/303092983.db2.gz ZIPNPBITBNLXMN-IEBWSBKVSA-N 1 0 323.444 2.464 10 30 DEEERO C=CC[C@H](C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000249575610 341399467 /nfs/dbraw/zinc/39/94/67/341399467.db2.gz PJXRPWSMUYBAFV-RYRKJORJSA-N 1 0 316.445 2.260 10 30 DEEERO C=CCCCCCNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000569002001 341687886 /nfs/dbraw/zinc/68/78/86/341687886.db2.gz SOIOILYYNQKSJF-UHFFFAOYSA-N 1 0 323.481 2.086 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCCSc2ccc(Cl)cc2)CCO1 ZINC000262480136 533787774 /nfs/dbraw/zinc/78/77/74/533787774.db2.gz RGXDIAGUFWPOIJ-NSHDSACASA-N 1 0 313.854 2.468 10 30 DEEERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000249100681 525281223 /nfs/dbraw/zinc/28/12/23/525281223.db2.gz WFTVYKPLVFYKND-YWVIFJGQSA-N 1 0 301.390 2.121 10 30 DEEERO C[NH+]=C(NCC1CCC(C(C)C)CC1)N[C@H]1CCC(=O)N(C)C1 ZINC000261887101 526351788 /nfs/dbraw/zinc/35/17/88/526351788.db2.gz UYQZSWFJTHCJMD-GPANFISMSA-N 1 0 322.497 2.235 10 30 DEEERO C[NH+]=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)NCC1(O)CCC1 ZINC000262757865 526369991 /nfs/dbraw/zinc/36/99/91/526369991.db2.gz CFSOVSIZKDHWQL-NWDGAFQWSA-N 1 0 321.387 2.435 10 30 DEEERO C[NH+]=C(NCc1nc(C)no1)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000261950696 526390177 /nfs/dbraw/zinc/39/01/77/526390177.db2.gz HHKZTYZYVIFOKK-JTQLQIEISA-N 1 0 305.357 2.252 10 30 DEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261969738 526394700 /nfs/dbraw/zinc/39/47/00/526394700.db2.gz MLYIUBPPYDYBTO-UKRRQHHQSA-N 1 0 303.454 2.285 10 30 DEEERO C[NH+]=C(NCc1ccoc1)NC[C@H](O)c1ccc(Cl)s1 ZINC000263184900 526415087 /nfs/dbraw/zinc/41/50/87/526415087.db2.gz WQBZXWKYFQHBLH-JTQLQIEISA-N 1 0 313.810 2.393 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247042881 526536615 /nfs/dbraw/zinc/53/66/15/526536615.db2.gz NCEYIJXDDNCKFX-WBVHZDCISA-N 1 0 318.465 2.469 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)c2cn3ccnc3s2)CC1 ZINC000188454926 526602659 /nfs/dbraw/zinc/60/26/59/526602659.db2.gz IWRMJNBRFUIZNS-UHFFFAOYSA-N 1 0 304.419 2.166 10 30 DEEERO C=C(C)C[NH+]1CCC(Nc2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000297154192 526606912 /nfs/dbraw/zinc/60/69/12/526606912.db2.gz OKIWBKWIGNIDDS-UHFFFAOYSA-N 1 0 301.350 2.314 10 30 DEEERO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3Cn3ccnc3)n2c1 ZINC000367440027 526692333 /nfs/dbraw/zinc/69/23/33/526692333.db2.gz ZBWSDIJQMYMGDE-HNNXBMFYSA-N 1 0 306.373 2.067 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1CC[NH+](CCC)CC1 ZINC000438076809 526845851 /nfs/dbraw/zinc/84/58/51/526845851.db2.gz UQYZRCRGZKPIDQ-DLBZAZTESA-N 1 0 323.481 2.389 10 30 DEEERO C=CCOc1cccc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1 ZINC000418115470 526902268 /nfs/dbraw/zinc/90/22/68/526902268.db2.gz PJBDENMCIACICO-HOTGVXAUSA-N 1 0 304.434 2.138 10 30 DEEERO C#CCNC(NCc1cc(F)cc(Br)c1)=[NH+]CC ZINC000262624261 526913879 /nfs/dbraw/zinc/91/38/79/526913879.db2.gz RJUCUSIMXJZCNO-UHFFFAOYSA-N 1 0 312.186 2.277 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417602822 526938441 /nfs/dbraw/zinc/93/84/41/526938441.db2.gz WRIAXESIPRVTLW-INIZCTEOSA-N 1 0 315.417 2.287 10 30 DEEERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC1=[NH+]CCN1C)O[C@H](C)C2 ZINC000262679977 528349710 /nfs/dbraw/zinc/34/97/10/528349710.db2.gz VQHKGUXSNYWHII-ZLDLUXBVSA-N 1 0 315.417 2.156 10 30 DEEERO CC[NH+]=C(NCC1CCCCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261832861 528803837 /nfs/dbraw/zinc/80/38/37/528803837.db2.gz VROMGEAUGOTVOC-GOSISDBHSA-N 1 0 320.481 2.134 10 30 DEEERO CC[NH+]=C(NCCN1CCSCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261828542 528806581 /nfs/dbraw/zinc/80/65/81/528806581.db2.gz VFKOTJPUQFHQBC-HOTGVXAUSA-N 1 0 324.538 2.123 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246817403 536883730 /nfs/dbraw/zinc/88/37/30/536883730.db2.gz SCFRIKQVGOMDAT-JKSUJKDBSA-N 1 0 316.401 2.447 10 30 DEEERO C[NH+]=C(NCC(C)(C)c1ccc2c(c1)OCO2)N[C@@H]1C[C@@H]1C ZINC000083902810 625482168 /nfs/dbraw/zinc/48/21/68/625482168.db2.gz ULYYTKWRQJFPQK-WCQYABFASA-N 1 0 303.406 2.266 10 30 DEEERO C[C@H]1C[N@H+](Cc2ccccc2)CCC1=NN1CCN(C)CC1 ZINC000734363376 633364128 /nfs/dbraw/zinc/36/41/28/633364128.db2.gz ZGPFPILNZPMVOF-INIZCTEOSA-N 1 0 300.450 2.132 10 30 DEEERO C#CCSCCNC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000181308607 637509997 /nfs/dbraw/zinc/50/99/97/637509997.db2.gz NKSUTHNJQFISNF-HNNXBMFYSA-N 1 0 319.474 2.173 10 30 DEEERO C=CCOCC(=O)OC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000741120652 637941446 /nfs/dbraw/zinc/94/14/46/637941446.db2.gz JNRSIIIIYRLIEM-YJBOKZPZSA-N 1 0 319.401 2.434 10 30 DEEERO C#CCN1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000752511390 639191711 /nfs/dbraw/zinc/19/17/11/639191711.db2.gz KGSHRYLHZYRWBH-JSSFPYSZSA-N 1 0 312.413 2.153 10 30 DEEERO C#CCNC(=O)CC[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000732919865 647703959 /nfs/dbraw/zinc/70/39/59/647703959.db2.gz ZWCKSNHRGHCXHE-LLVKDONJSA-N 1 0 314.307 2.375 10 30 DEEERO C=C(Br)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000069245495 648566350 /nfs/dbraw/zinc/56/63/50/648566350.db2.gz LDEYFUQKXOEFKJ-NSHDSACASA-N 1 0 306.248 2.171 10 30 DEEERO C#CCCOc1ccc(C[NH2+]C[C@H]2CCCN2CCOC)cc1 ZINC000113334943 651699385 /nfs/dbraw/zinc/69/93/85/651699385.db2.gz FWPUCWFHBUWPHT-GOSISDBHSA-N 1 0 316.445 2.289 10 30 DEEERO C#CCOc1ccc(C[NH+]2CCC(OCCCO)CC2)cc1 ZINC000093694624 684050770 /nfs/dbraw/zinc/05/07/70/684050770.db2.gz ZEDBYYVFZTUPIX-UHFFFAOYSA-N 1 0 303.402 2.062 10 30 DEEERO COc1ccc(NC(=[NH2+])NCCc2c(C)nn(C)c2C)cc1 ZINC000104174023 684058567 /nfs/dbraw/zinc/05/85/67/684058567.db2.gz PGMQYMCHSIWLEA-UHFFFAOYSA-N 1 0 301.394 2.015 10 30 DEEERO CC(C)CCC[C@@H](C)NC(=[NH2+])NCC(=O)NCc1ccco1 ZINC000303776705 685234524 /nfs/dbraw/zinc/23/45/24/685234524.db2.gz IAMBFCPJPNVINN-CYBMUJFWSA-N 1 0 308.426 2.015 10 30 DEEERO Cc1nn(C)cc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000886071833 691997580 /nfs/dbraw/zinc/99/75/80/691997580.db2.gz AZGWWZOIFZJHCZ-DLBZAZTESA-N 1 0 314.364 2.359 10 30 DEEERO C#CC[C@@H](COC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000716830287 793008160 /nfs/dbraw/zinc/00/81/60/793008160.db2.gz VGPSPTNSSXCWCW-JONQDZQNSA-N 1 0 322.449 2.402 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000278342737 214103031 /nfs/dbraw/zinc/10/30/31/214103031.db2.gz KEHCXEAMIPHAND-QFBILLFUSA-N 1 0 308.425 2.286 10 30 DEEERO N#Cc1ccc(Oc2nc(NN)[nH+]cc2Br)cc1 ZINC000087883787 185234393 /nfs/dbraw/zinc/23/43/93/185234393.db2.gz WNZJXCKZBHXEPP-UHFFFAOYSA-N 1 0 306.123 2.189 10 30 DEEERO CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccccc1C#CC[NH3+] ZINC000088310904 185245306 /nfs/dbraw/zinc/24/53/06/185245306.db2.gz LLPYNQFRWCZOML-KGLIPLIRSA-N 1 0 308.447 2.100 10 30 DEEERO C[N@@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccccc1 ZINC000245663121 529806547 /nfs/dbraw/zinc/80/65/47/529806547.db2.gz QFFSIGDUQWXJKP-JKSUJKDBSA-N 1 0 321.446 2.045 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccc(C#N)cn1 ZINC000328618503 529948875 /nfs/dbraw/zinc/94/88/75/529948875.db2.gz DTOPPOWOQPXWHQ-MAUKXSAKSA-N 1 0 324.432 2.206 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000625705148 365876856 /nfs/dbraw/zinc/87/68/56/365876856.db2.gz XNDCHPLPWCPZLO-AWEZNQCLSA-N 1 0 318.417 2.218 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000625704945 365876805 /nfs/dbraw/zinc/87/68/05/365876805.db2.gz VYLZRWYXGSOIKE-WBVHZDCISA-N 1 0 318.417 2.283 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)NCCc2ccccc2OC)C1 ZINC000625702626 365877173 /nfs/dbraw/zinc/87/71/73/365877173.db2.gz HRXXKMFZBFKXRC-OAHLLOKOSA-N 1 0 302.418 2.252 10 30 DEEERO Cc1nn(C)c(C)c1CN1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000121469935 185804732 /nfs/dbraw/zinc/80/47/32/185804732.db2.gz IAVKGPBPDVODBR-UHFFFAOYSA-N 1 0 317.481 2.485 10 30 DEEERO N#Cc1c2c(sc1NC(=O)[C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000070255367 190875336 /nfs/dbraw/zinc/87/53/36/190875336.db2.gz JYBZERGTRBSPJR-LBPRGKRZSA-N 1 0 301.415 2.437 10 30 DEEERO Cc1c(C#CC[NH3+])cccc1C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000133668810 186005275 /nfs/dbraw/zinc/00/52/75/186005275.db2.gz WTQJNFZPSBJUKO-UONOGXRCSA-N 1 0 302.443 2.271 10 30 DEEERO Cc1cc(COCC(=O)NC2CC([NH+]3CCCCC3)C2)on1 ZINC000328692465 539909951 /nfs/dbraw/zinc/90/99/51/539909951.db2.gz RTIWLBGNDIUYFE-UHFFFAOYSA-N 1 0 307.394 2.473 10 30 DEEERO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000173794651 198253338 /nfs/dbraw/zinc/25/33/38/198253338.db2.gz CHCNEMAMPUKNHC-CZUORRHYSA-N 1 0 300.406 2.182 10 30 DEEERO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)[C@H](C)O ZINC000445589580 540185039 /nfs/dbraw/zinc/18/50/39/540185039.db2.gz UJURWGSUVLHIJW-KBPBESRZSA-N 1 0 324.494 2.354 10 30 DEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(C#N)cc1F ZINC000105721225 355721242 /nfs/dbraw/zinc/72/12/42/355721242.db2.gz RCTKWQMDKRMHNJ-HNNXBMFYSA-N 1 0 320.412 2.473 10 30 DEEERO C=C(C)COCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179199420 356017050 /nfs/dbraw/zinc/01/70/50/356017050.db2.gz RFKDPEXKQRNEGP-DLBZAZTESA-N 1 0 317.433 2.324 10 30 DEEERO CNC(=[NH+]N)c1ccc(Br)cc1Br ZINC000234514502 356287542 /nfs/dbraw/zinc/28/75/42/356287542.db2.gz IESJTOVATFRFFC-UHFFFAOYSA-N 1 0 306.989 2.051 10 30 DEEERO C=CCOCCCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000618523997 363515454 /nfs/dbraw/zinc/51/54/54/363515454.db2.gz YPYGKSOZMMJOOS-UHFFFAOYSA-N 1 0 317.433 2.315 10 30 DEEERO CC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(C#N)cc1 ZINC000618571666 363530982 /nfs/dbraw/zinc/53/09/82/363530982.db2.gz ICCXBEBJEMTRIN-INIZCTEOSA-N 1 0 321.446 2.025 10 30 DEEERO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626893758 366352958 /nfs/dbraw/zinc/35/29/58/366352958.db2.gz QXKUSJSQFLCTQO-ZFWWWQNUSA-N 1 0 315.417 2.000 10 30 DEEERO C=CCN1CC[C@H]([NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)C1=O ZINC000592158432 357843161 /nfs/dbraw/zinc/84/31/61/357843161.db2.gz FQNODXURVCBGCA-AWEZNQCLSA-N 1 0 322.449 2.217 10 30 DEEERO C=CCOc1cccc(CN2CC[NH+]([C@H](CC)CO)CC2)c1 ZINC000179996666 199105110 /nfs/dbraw/zinc/10/51/10/199105110.db2.gz QMKQTSOSYQYSTA-QGZVFWFLSA-N 1 0 304.434 2.140 10 30 DEEERO C[C@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000188300245 291133613 /nfs/dbraw/zinc/13/36/13/291133613.db2.gz RAYLKAJVWIJTLF-BBRMVZONSA-N 1 0 309.413 2.331 10 30 DEEERO N#CCCCC[C@H]([NH3+])C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000594429706 358268046 /nfs/dbraw/zinc/26/80/46/358268046.db2.gz VUSGMGSVIOCYCR-INIZCTEOSA-N 1 0 311.389 2.281 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626974841 366386483 /nfs/dbraw/zinc/38/64/83/366386483.db2.gz LQMVLDVETDIHJP-HIFRSBDPSA-N 1 0 303.406 2.191 10 30 DEEERO C=CCCC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000594718269 358325048 /nfs/dbraw/zinc/32/50/48/358325048.db2.gz MQOCIQAVIAYLGB-OAHLLOKOSA-N 1 0 322.409 2.268 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2ccc(CCC(=O)OC)cc2)CCC[NH2+]1 ZINC000595938016 358584227 /nfs/dbraw/zinc/58/42/27/358584227.db2.gz VLTCOSPZGRIABT-SFHVURJKSA-N 1 0 316.401 2.429 10 30 DEEERO C=C(C)C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)OC ZINC000601785478 360148539 /nfs/dbraw/zinc/14/85/39/360148539.db2.gz BELYFKOQXFFUIQ-CQSZACIVSA-N 1 0 310.438 2.123 10 30 DEEERO C=C(C)C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)OC ZINC000601788724 360151565 /nfs/dbraw/zinc/15/15/65/360151565.db2.gz XLVNTYHNRLRKKO-OAHLLOKOSA-N 1 0 310.438 2.265 10 30 DEEERO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000602767801 360542705 /nfs/dbraw/zinc/54/27/05/360542705.db2.gz GLFREKJSUXDWJS-RTBURBONSA-N 1 0 314.429 2.458 10 30 DEEERO C[C@H](NC(=O)c1ccnc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193786907 201122959 /nfs/dbraw/zinc/12/29/59/201122959.db2.gz UWGWOZKSCWLOIC-ZFWWWQNUSA-N 1 0 312.417 2.336 10 30 DEEERO C=C[C@](C)(O)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000611799509 361684252 /nfs/dbraw/zinc/68/42/52/361684252.db2.gz PJAPKFRRZGMTCM-YJBOKZPZSA-N 1 0 302.418 2.046 10 30 DEEERO C#CCOc1ccc(Br)cc1C[NH2+]C1CC(O)C1 ZINC000091432185 193054966 /nfs/dbraw/zinc/05/49/66/193054966.db2.gz SWKDVOMOMHLUFH-UHFFFAOYSA-N 1 0 310.191 2.074 10 30 DEEERO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000624138643 365304060 /nfs/dbraw/zinc/30/40/60/365304060.db2.gz UVQPNZZKJYSQPJ-LXTVHRRPSA-N 1 0 300.468 2.181 10 30 DEEERO C=C1CC(C)(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000630859280 367884685 /nfs/dbraw/zinc/88/46/85/367884685.db2.gz CMGRSPQCYPMGJU-UHFFFAOYSA-N 1 0 306.450 2.304 10 30 DEEERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCO[C@H](C#N)C1 ZINC000093931137 193329739 /nfs/dbraw/zinc/32/97/39/193329739.db2.gz VTWRJYXFJNIVNJ-GDLCADMTSA-N 1 0 324.222 2.062 10 30 DEEERO COCc1cccc(NC(=O)c2csc(C#CC[NH3+])c2)c1 ZINC000093976072 193332802 /nfs/dbraw/zinc/33/28/02/193332802.db2.gz OXTBKUZIXZEZDM-UHFFFAOYSA-N 1 0 300.383 2.457 10 30 DEEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(C#CCO)s1 ZINC000094441016 193370505 /nfs/dbraw/zinc/37/05/05/193370505.db2.gz JRIMBRZLZHTPCB-HUUCEWRRSA-N 1 0 304.459 2.151 10 30 DEEERO Cc1cc(C(=O)N2C[C@@H](C)OC(C)(C)C2)sc1C#CC[NH3+] ZINC000094536667 193378153 /nfs/dbraw/zinc/37/81/53/193378153.db2.gz RWYXYAFHEDHBBT-GFCCVEGCSA-N 1 0 306.431 2.006 10 30 DEEERO Cc1cc(C(=O)N2C[C@@H](C)S[C@H](C)C2)sc1C#CC[NH3+] ZINC000094536877 193378257 /nfs/dbraw/zinc/37/82/57/193378257.db2.gz BBKHSOYSSOUGSB-VXGBXAGGSA-N 1 0 308.472 2.333 10 30 DEEERO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCC[NH3+] ZINC000160062480 197383087 /nfs/dbraw/zinc/38/30/87/197383087.db2.gz CLCUERYWEJJDGR-UHFFFAOYSA-N 1 0 302.296 2.349 10 30 DEEERO C=CCC[C@@H](CO)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000458385819 248286630 /nfs/dbraw/zinc/28/66/30/248286630.db2.gz BNWJBWCZZPWJNA-HNNXBMFYSA-N 1 0 323.412 2.014 10 30 DEEERO CN(Cc1cc(C#CC[NH3+])cs1)C(=O)c1cccc(F)c1 ZINC000042400456 183264347 /nfs/dbraw/zinc/26/43/47/183264347.db2.gz ZOKDHJAOLVIKKM-UHFFFAOYSA-N 1 0 302.374 2.470 10 30 DEEERO CC(C)[NH2+]Cc1ccc(OCC(=O)NCCC#N)c(Cl)c1 ZINC000043479648 183365701 /nfs/dbraw/zinc/36/57/01/183365701.db2.gz FGLXOBRFYJZSHN-UHFFFAOYSA-N 1 0 309.797 2.247 10 30 DEEERO CC[C@H]([NH3+])Cc1ccc(OCC(=O)NCCC#N)c(Cl)c1 ZINC000043492620 183367374 /nfs/dbraw/zinc/36/73/74/183367374.db2.gz HBYXHZDKCCFLTM-LBPRGKRZSA-N 1 0 309.797 2.028 10 30 DEEERO Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc(C#N)c2)CCCN1C ZINC000284493116 218051845 /nfs/dbraw/zinc/05/18/45/218051845.db2.gz JXJRKFAUBWUJJU-PKOBYXMFSA-N 1 0 323.444 2.464 10 30 DEEERO OCCC#Cc1csc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000062941476 184261941 /nfs/dbraw/zinc/26/19/41/184261941.db2.gz IPRPYMIYVVADBJ-MRXNPFEDSA-N 1 0 304.459 2.152 10 30 DEEERO CC[NH+](CC)[C@@H]1CCN(Cc2sccc2C#CCCO)C1 ZINC000062967934 184263871 /nfs/dbraw/zinc/26/38/71/184263871.db2.gz ZSEGCXDFMYJTGZ-MRXNPFEDSA-N 1 0 306.475 2.398 10 30 DEEERO OCC#Cc1csc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000062982335 184264165 /nfs/dbraw/zinc/26/41/65/184264165.db2.gz RLWMAEWZIWGKCL-MRXNPFEDSA-N 1 0 304.459 2.152 10 30 DEEERO OCC#Cc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)s1 ZINC000062982337 184264504 /nfs/dbraw/zinc/26/45/04/184264504.db2.gz YVTLFUMIYFMLJP-OAHLLOKOSA-N 1 0 304.459 2.152 10 30 DEEERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)[C@@H](C)CC#N)c1 ZINC000063096533 184270579 /nfs/dbraw/zinc/27/05/79/184270579.db2.gz GYVYRPSLRSWZOL-QWHCGFSZSA-N 1 0 309.435 2.280 10 30 DEEERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000157559361 197197445 /nfs/dbraw/zinc/19/74/45/197197445.db2.gz COUPSYKMNWYNOQ-OCCSQVGLSA-N 1 0 319.453 2.358 10 30 DEEERO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000362714351 133247276 /nfs/dbraw/zinc/24/72/76/133247276.db2.gz DRIYGYKYXLILMJ-CSMYWGQOSA-N 1 0 322.380 2.168 10 30 DEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000247059246 145124728 /nfs/dbraw/zinc/12/47/28/145124728.db2.gz INIKKLHXLWFDIN-WMLDXEAASA-N 1 0 314.433 2.428 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247382744 145135585 /nfs/dbraw/zinc/13/55/85/145135585.db2.gz LOXNJVLDYRRDOR-IJEWVQPXSA-N 1 0 315.417 2.267 10 30 DEEERO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306316 401710238 /nfs/dbraw/zinc/71/02/38/401710238.db2.gz IMXYFOIDWKSWIF-ZDUSSCGKSA-N 1 0 321.808 2.141 10 30 DEEERO C[NH+](C)Cc1cc(CNC(=O)c2ccc(C#N)cn2)ccc1F ZINC000115417313 401826977 /nfs/dbraw/zinc/82/69/77/401826977.db2.gz JONFDIGHCGYUQJ-UHFFFAOYSA-N 1 0 312.348 2.084 10 30 DEEERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cccc(C#N)c1 ZINC000131576241 401853097 /nfs/dbraw/zinc/85/30/97/401853097.db2.gz FDQPATYIDYPETE-AWEZNQCLSA-N 1 0 318.380 2.446 10 30 DEEERO C=CC[C@H](C)[NH2+]Cc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000116926552 401864016 /nfs/dbraw/zinc/86/40/16/401864016.db2.gz ZYTFOSVSLLCINB-AWEZNQCLSA-N 1 0 306.454 2.434 10 30 DEEERO CN(CCC#N)c1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000092648036 402007202 /nfs/dbraw/zinc/00/72/02/402007202.db2.gz MEUREXMDINKKFX-UHFFFAOYSA-N 1 0 324.432 2.465 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152252254 402084855 /nfs/dbraw/zinc/08/48/55/402084855.db2.gz GPGXHEHYRNBTEP-WBVHZDCISA-N 1 0 315.417 2.124 10 30 DEEERO CC[C@](C)(O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000123468339 402129220 /nfs/dbraw/zinc/12/92/20/402129220.db2.gz XPJPVXQDDPRTPV-IBGZPJMESA-N 1 0 324.428 2.389 10 30 DEEERO CCN1CCN(C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000069626680 402235064 /nfs/dbraw/zinc/23/50/64/402235064.db2.gz UDSGLDOHHLAIFF-UHFFFAOYSA-N 1 0 312.417 2.280 10 30 DEEERO C=CC[C@H](CO)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000185780762 402376661 /nfs/dbraw/zinc/37/66/61/402376661.db2.gz BOQQAOPOXGNXOV-GFCCVEGCSA-N 1 0 302.374 2.161 10 30 DEEERO C=CCn1c(C)cc(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000177600138 402419288 /nfs/dbraw/zinc/41/92/88/402419288.db2.gz FDKOPPDDGXMMGH-MRXNPFEDSA-N 1 0 301.434 2.254 10 30 DEEERO C[C@H](C#N)CNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000187791289 402511412 /nfs/dbraw/zinc/51/14/12/402511412.db2.gz SFSIIPJQUYSZSU-QAPCUYQASA-N 1 0 314.433 2.500 10 30 DEEERO C=C(C)[C@@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1ccc(F)c(F)c1 ZINC000187783192 402511690 /nfs/dbraw/zinc/51/16/90/402511690.db2.gz SZMBPUCHLJTWDE-SUMWQHHRSA-N 1 0 324.371 2.155 10 30 DEEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000186713768 402459316 /nfs/dbraw/zinc/45/93/16/402459316.db2.gz ZMTOBBDJEOULJW-WFASDCNBSA-N 1 0 312.435 2.036 10 30 DEEERO C#CCSCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179176229 402578358 /nfs/dbraw/zinc/57/83/58/402578358.db2.gz ZLFWVORUZKHSKZ-CVEARBPZSA-N 1 0 317.458 2.097 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCc3cc(OC)ccc32)CC1 ZINC000171736974 402617035 /nfs/dbraw/zinc/61/70/35/402617035.db2.gz NNMHGICWCIOADW-UHFFFAOYSA-N 1 0 315.417 2.418 10 30 DEEERO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171806904 402623994 /nfs/dbraw/zinc/62/39/94/402623994.db2.gz ROWCAZYAYJAEOR-CQSZACIVSA-N 1 0 315.421 2.427 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)Nc2nc(COC)cs2)CC1 ZINC000174381913 402738554 /nfs/dbraw/zinc/73/85/54/402738554.db2.gz PJCONWGNEBNESS-UHFFFAOYSA-N 1 0 310.423 2.061 10 30 DEEERO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1 ZINC000183140110 402742477 /nfs/dbraw/zinc/74/24/77/402742477.db2.gz FPDORAPOJMMOQM-YGRLFVJLSA-N 1 0 307.781 2.307 10 30 DEEERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccnc(C#N)c1 ZINC000192885150 402754970 /nfs/dbraw/zinc/75/49/70/402754970.db2.gz DNAGKANNJGHLOT-HZSPNIEDSA-N 1 0 300.406 2.049 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000184278978 402832668 /nfs/dbraw/zinc/83/26/68/402832668.db2.gz KQIWGVXKIZQNKH-CQSZACIVSA-N 1 0 305.374 2.037 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000184287394 402833216 /nfs/dbraw/zinc/83/32/16/402833216.db2.gz GLHKIIIEWDIHMU-NSHDSACASA-N 1 0 300.196 2.484 10 30 DEEERO CCOCCN1CCN(c2cc(C#N)ccc2C(C)=O)C[C@H]1C ZINC000302119801 403707253 /nfs/dbraw/zinc/70/72/53/403707253.db2.gz TVBDQEVYQOFMOY-CQSZACIVSA-N 1 0 315.417 2.308 10 30 DEEERO O=C(CN1CCO[C@H](C2CCCCC2)C1)NC[C@H]1CCCO1 ZINC000329441637 404336878 /nfs/dbraw/zinc/33/68/78/404336878.db2.gz NDMVVDAYZHKJPV-CVEARBPZSA-N 1 0 310.438 2.403 10 30 DEEERO C[C@H](CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2)NC(=O)C1CCCC1 ZINC000329513758 404361740 /nfs/dbraw/zinc/36/17/40/404361740.db2.gz YCKCCFQTBDYEEM-CJNGLKHVSA-N 1 0 321.465 2.464 10 30 DEEERO C=C[C@@](C)(O)CC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000355928434 404378344 /nfs/dbraw/zinc/37/83/44/404378344.db2.gz ATDCGYVLNSXYPK-RTBURBONSA-N 1 0 316.445 2.484 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000351583642 404657279 /nfs/dbraw/zinc/65/72/79/404657279.db2.gz UOAJRKBQEBDMSE-JTQLQIEISA-N 1 0 301.289 2.043 10 30 DEEERO C=CCOc1cccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000415016920 404788616 /nfs/dbraw/zinc/78/86/16/404788616.db2.gz QSTZKCBPNAPAKJ-CYBMUJFWSA-N 1 0 311.332 2.370 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000437539558 405205567 /nfs/dbraw/zinc/20/55/67/405205567.db2.gz UIEDHOOAOPASIZ-ODZFXCKXSA-N 1 0 323.481 2.387 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000424922101 405213116 /nfs/dbraw/zinc/21/31/16/405213116.db2.gz GQKLAICVFQQIEC-XIRDDKMYSA-N 1 0 306.450 2.491 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000438849037 405256247 /nfs/dbraw/zinc/25/62/47/405256247.db2.gz JDLNUSASPJHGEF-HZPDHXFCSA-N 1 0 321.465 2.095 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1COCC1(C)C)C(C)C ZINC000455480810 405416442 /nfs/dbraw/zinc/41/64/42/405416442.db2.gz CCDCJDOBKPLCSY-CVEARBPZSA-N 1 0 323.481 2.409 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527986923 405469874 /nfs/dbraw/zinc/46/98/74/405469874.db2.gz NJPPTOMLZGDTDI-XHSDSOJGSA-N 1 0 307.438 2.036 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527983555 405470024 /nfs/dbraw/zinc/47/00/24/405470024.db2.gz APQWKJRICDPLAY-ZACQAIPSSA-N 1 0 321.465 2.426 10 30 DEEERO C=CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)NC)C2)cc1Cl ZINC000421393729 405488166 /nfs/dbraw/zinc/48/81/66/405488166.db2.gz WLOFCAVPYLPLHL-CYBMUJFWSA-N 1 0 308.809 2.473 10 30 DEEERO C=CC[C@]1(C(=O)NCC(C)(C)c2ccc(C)cn2)CCC[NH2+]1 ZINC000638533075 405531144 /nfs/dbraw/zinc/53/11/44/405531144.db2.gz IHABIVLAMFESSJ-GOSISDBHSA-N 1 0 301.434 2.482 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000449392886 405542212 /nfs/dbraw/zinc/54/22/12/405542212.db2.gz AACRPLFGAWUQQI-KRWDZBQOSA-N 1 0 304.434 2.188 10 30 DEEERO CC(C)(C[NH+]1CCCC1)NC(=O)NCC1CCC(C#N)CC1 ZINC000458741144 405566512 /nfs/dbraw/zinc/56/65/12/405566512.db2.gz SCKUZVWQDJRLFV-UHFFFAOYSA-N 1 0 306.454 2.490 10 30 DEEERO C=CCOc1ccc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000638655107 405598078 /nfs/dbraw/zinc/59/80/78/405598078.db2.gz UWYVPZWSZIYBPG-JSGCOSHPSA-N 1 0 304.390 2.130 10 30 DEEERO C=C1CC(C)(C(=O)N2CCCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000633459545 405659306 /nfs/dbraw/zinc/65/93/06/405659306.db2.gz VWZGABFDYVVYAS-UHFFFAOYSA-N 1 0 319.493 2.361 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(CC[N@@H+](CC)CCC(F)(F)F)C1=O ZINC000630980317 405949897 /nfs/dbraw/zinc/94/98/97/405949897.db2.gz YKWKHBSOBGBSEA-NSHDSACASA-N 1 0 321.343 2.147 10 30 DEEERO C=CCN1CC[C@H]([N@@H+](C)CC/C=C/c2cncc(OC)c2)C1=O ZINC000565477902 406072471 /nfs/dbraw/zinc/07/24/71/406072471.db2.gz UVBIAJVTFXQKLN-UABRLCRWSA-N 1 0 315.417 2.212 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000632661977 406219199 /nfs/dbraw/zinc/21/91/99/406219199.db2.gz PRKKMALZQIHENU-OAHLLOKOSA-N 1 0 323.481 2.038 10 30 DEEERO C=CCCCCC[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000568880417 406222235 /nfs/dbraw/zinc/22/22/35/406222235.db2.gz KBTCJGHMXNCUDR-UHFFFAOYSA-N 1 0 303.454 2.064 10 30 DEEERO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634718012 406243414 /nfs/dbraw/zinc/24/34/14/406243414.db2.gz VCOOMIBZFCYJOL-ZWKOTPCHSA-N 1 0 319.445 2.056 10 30 DEEERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000547716152 406435998 /nfs/dbraw/zinc/43/59/98/406435998.db2.gz AYEUYIHYTDXEEP-CXAGYDPISA-N 1 0 309.413 2.189 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000572643254 406711312 /nfs/dbraw/zinc/71/13/12/406711312.db2.gz PIPZJOPNNZESOK-STQMWFEESA-N 1 0 303.324 2.135 10 30 DEEERO Cc1ncsc1CNC(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129146926 196023571 /nfs/dbraw/zinc/02/35/71/196023571.db2.gz WUPWNXMBPITHQV-UHFFFAOYSA-N 1 0 319.817 2.345 10 30 DEEERO C[C@H]1C[NH2+]C[C@H](COc2ccc(C#N)cc2Br)O1 ZINC000133509767 196331017 /nfs/dbraw/zinc/33/10/17/196331017.db2.gz PPVJNJNYBADJPP-GXSJLCMTSA-N 1 0 311.179 2.076 10 30 DEEERO COc1ccnc(NC2CC[NH+](CCCSCC#N)CC2)n1 ZINC000192871257 225144422 /nfs/dbraw/zinc/14/44/22/225144422.db2.gz BJJLEZUUSINTMT-UHFFFAOYSA-N 1 0 321.450 2.008 10 30 DEEERO N#C[C@H]1CCC[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000193290008 225156684 /nfs/dbraw/zinc/15/66/84/225156684.db2.gz MBUYBDTURCQJJJ-ZFWWWQNUSA-N 1 0 318.396 2.229 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NC[C@H]1Cc2ccccc2O1 ZINC000261994605 225261473 /nfs/dbraw/zinc/26/14/73/225261473.db2.gz NJHCJNGJDHFJCH-CYBMUJFWSA-N 1 0 301.415 2.199 10 30 DEEERO [NH2+]=C(NCc1ccc(N2CCCCC2=O)cc1)NCC1CCC1 ZINC000262022959 225264539 /nfs/dbraw/zinc/26/45/39/225264539.db2.gz YLKFKDZADGFRHY-UHFFFAOYSA-N 1 0 314.433 2.408 10 30 DEEERO Cc1ncc(CNC(=[NH2+])Nc2cccc3c2CCCC3)c(=O)[nH]1 ZINC000262157616 225265473 /nfs/dbraw/zinc/26/54/73/225265473.db2.gz ASZUQNBUEMJPEW-UHFFFAOYSA-N 1 0 311.389 2.296 10 30 DEEERO [NH2+]=C(N[C@@H]1C[C@H]1C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262365324 225270787 /nfs/dbraw/zinc/27/07/87/225270787.db2.gz DILIJIYCLNUQOP-JKSUJKDBSA-N 1 0 302.397 2.061 10 30 DEEERO C=CCN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H](C)COC ZINC000637469636 424853097 /nfs/dbraw/zinc/85/30/97/424853097.db2.gz DFUFBNYNCFKWFC-GDBMZVCRSA-N 1 0 309.454 2.236 10 30 DEEERO [NH2+]=C(NC[C@H]1CC12CCOCC2)N[C@H]1CCOc2ccccc21 ZINC000262687807 274931794 /nfs/dbraw/zinc/93/17/94/274931794.db2.gz BERMXNSBVYMPDV-HIFRSBDPSA-N 1 0 315.417 2.231 10 30 DEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCC[C@@]2(CCCOC2)C1 ZINC000262792730 278168033 /nfs/dbraw/zinc/16/80/33/278168033.db2.gz OQJKYBFWFRHIAW-XYJFISCASA-N 1 0 323.481 2.006 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]C[C@H](CO)c3ccccc3)n2c1 ZINC000175048626 325743373 /nfs/dbraw/zinc/74/33/73/325743373.db2.gz GLLMFTLZJYQMST-MRXNPFEDSA-N 1 0 306.369 2.072 10 30 DEEERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc(C#N)cn1C ZINC000176713481 325750162 /nfs/dbraw/zinc/75/01/62/325750162.db2.gz XLEWYHXYWUCUOY-UHFFFAOYSA-N 1 0 304.438 2.337 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000584109587 331766709 /nfs/dbraw/zinc/76/67/09/331766709.db2.gz RAPCRCIKXAMTRK-NBOOPKSLSA-N 1 0 323.481 2.387 10 30 DEEERO C#CCCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1 ZINC000363414451 331901138 /nfs/dbraw/zinc/90/11/38/331901138.db2.gz NLCXBULVGCEFHY-KYJSFNMBSA-N 1 0 312.413 2.188 10 30 DEEERO N#Cc1ccc(C(=O)Nc2ccc3c(c2)OC[C@H]([NH3+])C3)cc1F ZINC000584592903 337373600 /nfs/dbraw/zinc/37/36/00/337373600.db2.gz ZOMSMCCMOOIXHN-CYBMUJFWSA-N 1 0 311.316 2.212 10 30 DEEERO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccccc1 ZINC000245635404 341306563 /nfs/dbraw/zinc/30/65/63/341306563.db2.gz JJORSDMWRGGXHG-IAGOWNOFSA-N 1 0 312.417 2.377 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000574150089 341750092 /nfs/dbraw/zinc/75/00/92/341750092.db2.gz XBFYSFRRKNHMBJ-NOLJZWGESA-N 1 0 324.446 2.300 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCCn2ccc3cc(Cl)ccc32)CCO1 ZINC000262625746 534271311 /nfs/dbraw/zinc/27/13/11/534271311.db2.gz DIRSCSZWBHZQHH-GFCCVEGCSA-N 1 0 320.824 2.330 10 30 DEEERO C=CCN(CCc1ccccc1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418583237 526310854 /nfs/dbraw/zinc/31/08/54/526310854.db2.gz AUIRYOAYKMFJDK-RDJZCZTQSA-N 1 0 301.434 2.425 10 30 DEEERO CC#CCCNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000418030782 526321270 /nfs/dbraw/zinc/32/12/70/526321270.db2.gz NECSPVBSCCOFOS-CVEARBPZSA-N 1 0 303.381 2.065 10 30 DEEERO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418581809 526338184 /nfs/dbraw/zinc/33/81/84/526338184.db2.gz VAUJJHZQIUIEIX-YOEHRIQHSA-N 1 0 317.433 2.391 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[NH2+]CC1CC1 ZINC000262621574 526346763 /nfs/dbraw/zinc/34/67/63/526346763.db2.gz OFXNQWYQPFIFSO-UHFFFAOYSA-N 1 0 303.362 2.109 10 30 DEEERO C[NH+]=C(NCC1CCCCC1)NC[C@]1(N(C)C)CCSC1 ZINC000262461234 526351410 /nfs/dbraw/zinc/35/14/10/526351410.db2.gz WCPVYRRJOWVVKF-MRXNPFEDSA-N 1 0 312.527 2.169 10 30 DEEERO C[NH+]=C(NCCC1CC1)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000261956613 526353903 /nfs/dbraw/zinc/35/39/03/526353903.db2.gz IXJDNSACQSEJBF-HNNXBMFYSA-N 1 0 303.454 2.286 10 30 DEEERO C[NH+]=C(NCCN(C)C1CC1)N1CC=C(c2ccccc2)CC1 ZINC000262586427 526354697 /nfs/dbraw/zinc/35/46/97/526354697.db2.gz SOYUMDJQQACDJA-UHFFFAOYSA-N 1 0 312.461 2.445 10 30 DEEERO C[NH+]=C(NCCN1CCC1)N[C@H](C)c1cc2ccccc2o1 ZINC000261937870 526355974 /nfs/dbraw/zinc/35/59/74/526355974.db2.gz WZSZKOQZYCRHGQ-CYBMUJFWSA-N 1 0 300.406 2.365 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000341902484 526374894 /nfs/dbraw/zinc/37/48/94/526374894.db2.gz OWDQUSHWCQFUMZ-CQSZACIVSA-N 1 0 308.447 2.231 10 30 DEEERO C[NH+]=C(NCc1cccc(OC)n1)N[C@H]1CCc2ccccc2C1 ZINC000262293955 526384202 /nfs/dbraw/zinc/38/42/02/526384202.db2.gz ZEMGZRRATNQRFO-INIZCTEOSA-N 1 0 324.428 2.313 10 30 DEEERO C[NH+]=C(NCc1noc(C)n1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262440900 526393118 /nfs/dbraw/zinc/39/31/18/526393118.db2.gz ANNBKGHBDPQCCC-MELADBBJSA-N 1 0 305.426 2.402 10 30 DEEERO C#CC[N@@H+](C)C[C@](C)(O)c1ccc(Br)cc1F ZINC000294516507 526829449 /nfs/dbraw/zinc/82/94/49/526829449.db2.gz IXJVVEZUVRPJJZ-ZDUSSCGKSA-N 1 0 300.171 2.361 10 30 DEEERO C=C(Cl)CNC(N[C@@H]1CCc2cn(C(C)C)nc2C1)=[NH+]C ZINC000261940474 526885205 /nfs/dbraw/zinc/88/52/05/526885205.db2.gz DMFQGLKQWVFFCL-CYBMUJFWSA-N 1 0 309.845 2.239 10 30 DEEERO C=CCCCCC[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374826659 527133036 /nfs/dbraw/zinc/13/30/36/527133036.db2.gz FXSFKNSQYDYWLI-UHFFFAOYSA-N 1 0 300.468 2.233 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000340352489 527176082 /nfs/dbraw/zinc/17/60/82/527176082.db2.gz WTZIIFGFUGGFCW-MRXNPFEDSA-N 1 0 323.481 2.039 10 30 DEEERO C=CCn1c(C2CCC2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000337909489 527309019 /nfs/dbraw/zinc/30/90/19/527309019.db2.gz OXXNYWOQMRQRHD-OAHLLOKOSA-N 1 0 301.438 2.406 10 30 DEEERO CC(C)[NH+]=C(NCCc1ccco1)N[C@@H]1CCC2(C1)OCCO2 ZINC000262665119 527383680 /nfs/dbraw/zinc/38/36/80/527383680.db2.gz NAEGNRQCNSWNQB-CQSZACIVSA-N 1 0 321.421 2.061 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000425861197 527494649 /nfs/dbraw/zinc/49/46/49/527494649.db2.gz VLUPGOIJDAWYFI-RDJZCZTQSA-N 1 0 321.465 2.237 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000376296017 527608525 /nfs/dbraw/zinc/60/85/25/527608525.db2.gz KZJYCVZOZSMEEH-UHFFFAOYSA-N 1 0 314.433 2.165 10 30 DEEERO C=CCN(CC=C)C(=O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245483893 527611685 /nfs/dbraw/zinc/61/16/85/527611685.db2.gz GHXKFJGQZHCXOA-SJORKVTESA-N 1 0 305.466 2.134 10 30 DEEERO CC[NH+]=C(NC1CCC1)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261997341 528801601 /nfs/dbraw/zinc/80/16/01/528801601.db2.gz SRHVBQXHSWFAMO-OAHLLOKOSA-N 1 0 303.454 2.429 10 30 DEEERO CC[NH+]=C(NCC[C@H]1c2ccccc2NC1=O)N[C@@H]1C[C@H]1C ZINC000246863354 528806413 /nfs/dbraw/zinc/80/64/13/528806413.db2.gz RSKCBUCBENHDPK-OSAQELSMSA-N 1 0 300.406 2.076 10 30 DEEERO CC[NH+]=C(NC[C@](C)(O)CC)N1CCC[C@@]2(CCCOC2)C1 ZINC000262795285 528814068 /nfs/dbraw/zinc/81/40/68/528814068.db2.gz PLYFMMWUQFHGQI-IAGOWNOFSA-N 1 0 311.470 2.006 10 30 DEEERO COc1cc(Br)ccc1C[NH+]=C(N(C)C)N(C)C ZINC000186861335 636575734 /nfs/dbraw/zinc/57/57/34/636575734.db2.gz MEXJJXBFOVOUKH-UHFFFAOYSA-N 1 0 314.227 2.437 10 30 DEEERO C[NH+]=C(NC[C@@H]1CC1(C)C)N1CC[C@H](Oc2ccccn2)C1 ZINC000262004626 636989024 /nfs/dbraw/zinc/98/90/24/636989024.db2.gz VIDSZPLYAWQATJ-KBPBESRZSA-N 1 0 302.422 2.156 10 30 DEEERO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000746676089 638368178 /nfs/dbraw/zinc/36/81/78/638368178.db2.gz RTNWESHHKZNOTH-LBPRGKRZSA-N 1 0 321.808 2.330 10 30 DEEERO C#CCC(CC#C)C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000803699435 645681951 /nfs/dbraw/zinc/68/19/51/645681951.db2.gz CHPBMBSPQNDLJN-UHFFFAOYSA-N 1 0 301.361 2.464 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCC[NH+](C)C ZINC000807470523 645955819 /nfs/dbraw/zinc/95/58/19/645955819.db2.gz PCGUIJXVNZXKIG-KRWDZBQOSA-N 1 0 301.434 2.214 10 30 DEEERO Cc1nc(NCc2cc(O[C@H]3CC[NH2+]C3)ccn2)ccc1C#N ZINC000818628287 647492539 /nfs/dbraw/zinc/49/25/39/647492539.db2.gz JGJFAGSYRXWFIZ-INIZCTEOSA-N 1 0 309.373 2.010 10 30 DEEERO C[C@](O)(CNC(=[NH2+])NCCc1cccs1)c1ccccc1 ZINC000304774746 685260956 /nfs/dbraw/zinc/26/09/56/685260956.db2.gz BZZQBEMRYSYJJD-INIZCTEOSA-N 1 0 303.431 2.103 10 30 DEEERO C#CCCCOC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000120893583 684102276 /nfs/dbraw/zinc/10/22/76/684102276.db2.gz KQPGMVDDBJKAOT-UHFFFAOYSA-N 1 0 300.402 2.399 10 30 DEEERO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2OCC#N)CC[N@@H+]1C ZINC000124074698 684131629 /nfs/dbraw/zinc/13/16/29/684131629.db2.gz LETLKFFWSQUZOH-KBPBESRZSA-N 1 0 301.390 2.144 10 30 DEEERO CCCC[NH+]=C(NCCC(=O)N(C)C)NCc1ccc(C)cc1 ZINC000303900060 685238872 /nfs/dbraw/zinc/23/88/72/685238872.db2.gz WMFSXALEZHIJEA-UHFFFAOYSA-N 1 0 318.465 2.309 10 30 DEEERO [NH2+]=C(NCCCc1nnc2n1CCCCC2)NC1CCCCC1 ZINC000303974508 685241442 /nfs/dbraw/zinc/24/14/42/685241442.db2.gz HXVYKJGMMUBFMD-UHFFFAOYSA-N 1 0 318.469 2.174 10 30 DEEERO O=C(C[N+]12CCN(CC1)CC2)c1ccc(Cl)c(Cl)c1 ZINC000015454065 717111244 /nfs/dbraw/zinc/11/12/44/717111244.db2.gz IHPYORNOFMRRNJ-UHFFFAOYSA-N 1 0 300.209 2.322 10 30 DEEERO CC(C)C[C@H](NC(=O)C[N+]12CCN(CC1)CC2)c1ccccc1 ZINC000029223294 717116964 /nfs/dbraw/zinc/11/69/64/717116964.db2.gz LVSWNVVWKRCETH-SFHVURJKSA-O 1 0 316.469 2.036 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000716858341 793005942 /nfs/dbraw/zinc/00/59/42/793005942.db2.gz XVQRHDHJDFWJJW-SOUVJXGZSA-N 1 0 310.438 2.450 10 30 DEEERO C=CC[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000162823177 197593961 /nfs/dbraw/zinc/59/39/61/197593961.db2.gz DNVPOLLGHNQLQM-VIFPVBQESA-N 1 0 314.139 2.199 10 30 DEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1cccc(C#N)c1 ZINC000079212971 185161510 /nfs/dbraw/zinc/16/15/10/185161510.db2.gz MBLCXFBXYKUWPP-MRXNPFEDSA-N 1 0 302.422 2.334 10 30 DEEERO CC[N@@H+]1CCC[C@@H](NC(=O)CN2CCc3ccccc3C2=O)C1 ZINC000329837685 404467398 /nfs/dbraw/zinc/46/73/98/404467398.db2.gz ILBQSQLXKXOEKH-OAHLLOKOSA-N 1 0 315.417 2.126 10 30 DEEERO CN(CCC(F)(F)F)C(=O)c1cc(C#CC[NH3+])ccc1F ZINC000088436897 185250323 /nfs/dbraw/zinc/25/03/23/185250323.db2.gz NSVWBLUXCWHGNM-UHFFFAOYSA-N 1 0 302.271 2.160 10 30 DEEERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1cccc(C#N)c1 ZINC000090700139 185310527 /nfs/dbraw/zinc/31/05/27/185310527.db2.gz NVESKVCQPVGXET-HNNXBMFYSA-N 1 0 303.431 2.068 10 30 DEEERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C#N)cc1Br ZINC000092952619 185350290 /nfs/dbraw/zinc/35/02/90/185350290.db2.gz TVEMDSNJZKTUPE-PSASIEDQSA-N 1 0 308.179 2.257 10 30 DEEERO CN(CCC#N)C(=O)CC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000092797924 529866732 /nfs/dbraw/zinc/86/67/32/529866732.db2.gz RYXGGBVYPJVUIQ-MRXNPFEDSA-N 1 0 307.438 2.172 10 30 DEEERO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000616242651 362805431 /nfs/dbraw/zinc/80/54/31/362805431.db2.gz WCLKWLSPXZASFE-KRWDZBQOSA-N 1 0 317.433 2.466 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000625896293 365947396 /nfs/dbraw/zinc/94/73/96/365947396.db2.gz AKGUGJITPPSVLS-TZMCWYRMSA-N 1 0 300.406 2.328 10 30 DEEERO C[C@@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(C#N)cc1Br ZINC000133681823 186006289 /nfs/dbraw/zinc/00/62/89/186006289.db2.gz NNOIZROBVGWOGR-CMPLNLGQSA-N 1 0 324.222 2.500 10 30 DEEERO COc1ccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1C#CCO ZINC000133769110 186011178 /nfs/dbraw/zinc/01/11/78/186011178.db2.gz CELULRSJEKOHCO-KBPBESRZSA-N 1 0 305.443 2.365 10 30 DEEERO C[C@@H](C(=O)Nc1ccc(C#N)cc1Br)C1C[NH2+]C1 ZINC000164038446 186146176 /nfs/dbraw/zinc/14/61/76/186146176.db2.gz LZUVJPULLDYZTP-MRVPVSSYSA-N 1 0 308.179 2.115 10 30 DEEERO CC(C(=O)Nc1ccc(C#N)cc1Br)=C1C[NH2+]C1 ZINC000164038567 186146367 /nfs/dbraw/zinc/14/63/67/186146367.db2.gz WRQZYRRKRHNAHK-UHFFFAOYSA-N 1 0 306.163 2.179 10 30 DEEERO C=CCc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc(OC)c1O ZINC000159569051 186127824 /nfs/dbraw/zinc/12/78/24/186127824.db2.gz MNALYIBMAICJIX-DOMZBBRYSA-N 1 0 318.417 2.215 10 30 DEEERO C=CCc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc(OC)c1O ZINC000159569458 186127846 /nfs/dbraw/zinc/12/78/46/186127846.db2.gz MNALYIBMAICJIX-SWLSCSKDSA-N 1 0 318.417 2.215 10 30 DEEERO C=C(C)[C@H](CO)[NH+]1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000617568258 363190611 /nfs/dbraw/zinc/19/06/11/363190611.db2.gz ZDJRIUNGEGPYQQ-AWEZNQCLSA-N 1 0 324.446 2.436 10 30 DEEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CNC(=O)c1ccsc1 ZINC000329620614 539924687 /nfs/dbraw/zinc/92/46/87/539924687.db2.gz FLVCNMKJSPYQGD-OCCSQVGLSA-N 1 0 321.446 2.138 10 30 DEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000595602742 358497931 /nfs/dbraw/zinc/49/79/31/358497931.db2.gz KBJOQMUTDQEONJ-HZPDHXFCSA-N 1 0 302.422 2.367 10 30 DEEERO C[C@@H](C#N)CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000182376726 356125078 /nfs/dbraw/zinc/12/50/78/356125078.db2.gz OLRUFQMFXOSWFF-AWEZNQCLSA-N 1 0 300.406 2.241 10 30 DEEERO C[N@H+](CC1CC1)C[C@H]1CN(Cc2cc(C#N)cs2)CCO1 ZINC000328628692 356463514 /nfs/dbraw/zinc/46/35/14/356463514.db2.gz HNHUEIRBFNRWRK-HNNXBMFYSA-N 1 0 305.447 2.162 10 30 DEEERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc(C#N)cn2C)C1 ZINC000081710433 192316201 /nfs/dbraw/zinc/31/62/01/192316201.db2.gz LJOFUJHKXBWJHN-KBPBESRZSA-N 1 0 316.449 2.383 10 30 DEEERO N#Cc1ccc(OC2CCC([NH2+][C@@H]3CCCOC3)CC2)nc1 ZINC000179594606 199060480 /nfs/dbraw/zinc/06/04/80/199060480.db2.gz JDKUHSRHIAJJKN-HWOWSKLDSA-N 1 0 301.390 2.412 10 30 DEEERO C=CCCSCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000595058740 358384935 /nfs/dbraw/zinc/38/49/35/358384935.db2.gz KONOYIFCCUKIEI-LBPRGKRZSA-N 1 0 314.476 2.294 10 30 DEEERO C=CCOCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595079862 358387635 /nfs/dbraw/zinc/38/76/35/358387635.db2.gz ZWPOEWPOSOBRNS-ZIAGYGMSSA-N 1 0 308.382 2.457 10 30 DEEERO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595845378 358563385 /nfs/dbraw/zinc/56/33/85/358563385.db2.gz MWOZJPLIOMMSQG-ZNMIVQPWSA-N 1 0 320.433 2.112 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1ccccc1F)C(C)C ZINC000595690693 358524520 /nfs/dbraw/zinc/52/45/20/358524520.db2.gz HHGIJVVVLGQOIC-HNNXBMFYSA-N 1 0 307.369 2.124 10 30 DEEERO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627237469 366487152 /nfs/dbraw/zinc/48/71/52/366487152.db2.gz DUXPHVGHEUGQTG-XJKSGUPXSA-N 1 0 303.406 2.143 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598645341 359272843 /nfs/dbraw/zinc/27/28/43/359272843.db2.gz HDVQWRDKXRRUOX-GUYCJALGSA-N 1 0 318.417 2.292 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599530424 359517344 /nfs/dbraw/zinc/51/73/44/359517344.db2.gz WZTLNWZEPNIBEH-ZIAGYGMSSA-N 1 0 306.362 2.233 10 30 DEEERO C=CCC[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599632205 359548950 /nfs/dbraw/zinc/54/89/50/359548950.db2.gz UTTZSLGKJRAREB-KRWDZBQOSA-N 1 0 300.402 2.481 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](Cc2c(C)nn(CCC(=O)OC)c2C)C1 ZINC000600186941 359681079 /nfs/dbraw/zinc/68/10/79/359681079.db2.gz VGCFNGKWFCWHEK-OAHLLOKOSA-N 1 0 305.422 2.461 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000187899419 200172863 /nfs/dbraw/zinc/17/28/63/200172863.db2.gz RGQRZMUJNNWVAU-KDOFPFPSSA-N 1 0 318.417 2.429 10 30 DEEERO CC[NH+](CC)CC1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000609344980 361306240 /nfs/dbraw/zinc/30/62/40/361306240.db2.gz VUCJSZOAUJCEEO-UHFFFAOYSA-N 1 0 300.406 2.147 10 30 DEEERO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2nccn2c1 ZINC000610663793 361439234 /nfs/dbraw/zinc/43/92/34/361439234.db2.gz ZBCDBOPHHPYYSS-UHFFFAOYSA-N 1 0 314.393 2.034 10 30 DEEERO Cc1noc([C@@H]2CCC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)n1 ZINC000091832566 193114446 /nfs/dbraw/zinc/11/44/46/193114446.db2.gz OXHUGIKHSVNFBL-CQSZACIVSA-N 1 0 322.372 2.277 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000624464280 365429918 /nfs/dbraw/zinc/42/99/18/365429918.db2.gz STQYQYDDLPZFKN-AWEZNQCLSA-N 1 0 311.470 2.075 10 30 DEEERO C[C@@H]1CCCN(C(=O)N(C)Cc2cc(C#CC[NH3+])cs2)C1 ZINC000091992514 193138283 /nfs/dbraw/zinc/13/82/83/193138283.db2.gz ZUAYVAQFKRAZRK-CYBMUJFWSA-N 1 0 305.447 2.342 10 30 DEEERO C=CCOc1ccc(C[NH2+]CC[C@@H](O)C(F)F)cc1OC ZINC000631219151 368086750 /nfs/dbraw/zinc/08/67/50/368086750.db2.gz LFILRNXUJSTSCC-GFCCVEGCSA-N 1 0 301.333 2.366 10 30 DEEERO C#CCOc1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000093150553 193208455 /nfs/dbraw/zinc/20/84/55/193208455.db2.gz FKTZDGNDCKWTNU-UHFFFAOYSA-N 1 0 322.412 2.201 10 30 DEEERO Cc1noc(C)c1[C@@H](C)NC(=O)c1csc(C#CC[NH3+])c1 ZINC000093976696 193334184 /nfs/dbraw/zinc/33/41/84/193334184.db2.gz UFWSRMZIMMXWRW-SECBINFHSA-N 1 0 303.387 2.154 10 30 DEEERO [NH3+]CC#Cc1cc(C(=O)NCCc2cccc(F)c2)cs1 ZINC000093975779 193333222 /nfs/dbraw/zinc/33/32/22/193333222.db2.gz DSEJKPRBELWAJI-UHFFFAOYSA-N 1 0 302.374 2.170 10 30 DEEERO [NH3+]CC#Cc1cccc(O[C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000094408532 193367436 /nfs/dbraw/zinc/36/74/36/193367436.db2.gz WFGXVHRLOXLTNJ-SJORKVTESA-N 1 0 303.427 2.430 10 30 DEEERO [NH3+]CC#Cc1cccc(O[C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000094408530 193367746 /nfs/dbraw/zinc/36/77/46/193367746.db2.gz WFGXVHRLOXLTNJ-IAGOWNOFSA-N 1 0 303.427 2.430 10 30 DEEERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)N(CC)C[C@@H](C)C#N)c1 ZINC000042448372 183271768 /nfs/dbraw/zinc/27/17/68/183271768.db2.gz IMNDCLOMZJNUAK-WFASDCNBSA-N 1 0 309.435 2.267 10 30 DEEERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)N(C)C[C@@H](C)C#N)c1 ZINC000042461391 183272825 /nfs/dbraw/zinc/27/28/25/183272825.db2.gz QMRWUVFNQAWNAI-WFASDCNBSA-N 1 0 309.435 2.137 10 30 DEEERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000042461375 183273151 /nfs/dbraw/zinc/27/31/51/183273151.db2.gz NYOCYVBZQZFCMQ-STQMWFEESA-N 1 0 309.435 2.137 10 30 DEEERO C#CCNC(=O)[C@@H](C)Oc1ccc(C[NH2+]C(C)C)cc1Cl ZINC000043479825 183365740 /nfs/dbraw/zinc/36/57/40/183365740.db2.gz NFIKZXKYTMINEO-GFCCVEGCSA-N 1 0 308.809 2.355 10 30 DEEERO C#CCNC(=O)[C@@H](C)Oc1ccc(C[C@H]([NH3+])CC)cc1Cl ZINC000043492418 183366673 /nfs/dbraw/zinc/36/66/73/183366673.db2.gz FRNBSNWNHVJVJS-DGCLKSJQSA-N 1 0 308.809 2.137 10 30 DEEERO C[C@@H](NC(=O)c1cc(C#N)ccn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000288581198 220258933 /nfs/dbraw/zinc/25/89/33/220258933.db2.gz NZWNPDUQTGTHBX-UKRRQHHQSA-N 1 0 312.417 2.336 10 30 DEEERO Cn1nccc1[C@H]1[C@H](CNc2cnccc2C#N)CCC[N@@H+]1C ZINC000284937796 218242648 /nfs/dbraw/zinc/24/26/48/218242648.db2.gz QHTZQDOULYRYMS-WMLDXEAASA-N 1 0 310.405 2.182 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@H]1CCOC1)C(C)C ZINC000106533195 194226616 /nfs/dbraw/zinc/22/66/16/194226616.db2.gz YYEASBWVTNFEOE-HOTGVXAUSA-N 1 0 309.454 2.115 10 30 DEEERO C[NH+](C)CCN[C@]1(C#N)CCc2cc(Br)ccc2C1 ZINC000110830018 194361819 /nfs/dbraw/zinc/36/18/19/194361819.db2.gz RHZXOVXSBMUOFQ-OAHLLOKOSA-N 1 0 322.250 2.351 10 30 DEEERO Cc1nnsc1C(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061691927 184182820 /nfs/dbraw/zinc/18/28/20/184182820.db2.gz UNJCTMFOWZRLLH-UHFFFAOYSA-N 1 0 306.778 2.062 10 30 DEEERO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCC(=O)NCC#N ZINC000062730819 184251434 /nfs/dbraw/zinc/25/14/34/184251434.db2.gz OVLFEBVPVLQMCS-UHFFFAOYSA-N 1 0 309.797 2.247 10 30 DEEERO OCC#Cc1ccsc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062982339 184264194 /nfs/dbraw/zinc/26/41/94/184264194.db2.gz RPFZDHPLAXVNJJ-MRXNPFEDSA-N 1 0 304.459 2.152 10 30 DEEERO COc1ccc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1C#N ZINC000157906229 197225176 /nfs/dbraw/zinc/22/51/76/197225176.db2.gz PJASHRSTGLCJKI-SOLBZPMBSA-N 1 0 316.401 2.335 10 30 DEEERO CN(Cc1cc(C#CC[NH3+])cs1)C(=O)[C@H]1CCCCS1 ZINC000156281775 197101144 /nfs/dbraw/zinc/10/11/44/197101144.db2.gz LWMRNFKLDCUWAV-CQSZACIVSA-N 1 0 308.472 2.302 10 30 DEEERO CC#CCC[NH+]1CCN(Cc2c(Cl)n(C)nc2CC)CC1 ZINC000155526316 197063652 /nfs/dbraw/zinc/06/36/52/197063652.db2.gz JENGIXDSHIOKFM-UHFFFAOYSA-N 1 0 308.857 2.167 10 30 DEEERO C=CCOc1cccc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000120601789 195199637 /nfs/dbraw/zinc/19/96/37/195199637.db2.gz RDFBAXMEWIWGOX-HZPDHXFCSA-N 1 0 304.434 2.138 10 30 DEEERO C=C[C@H](CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000135982695 335056734 /nfs/dbraw/zinc/05/67/34/335056734.db2.gz FPSZQZTUVFDOCZ-GVDBMIGSSA-N 1 0 316.445 2.260 10 30 DEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000121083610 195291432 /nfs/dbraw/zinc/29/14/32/195291432.db2.gz DXRRVQJJFXEJOX-ZDUSSCGKSA-N 1 0 301.390 2.258 10 30 DEEERO Cn1cc(CN2CCC[N@H+](CC(C)(C)CCC#N)CC2)cn1 ZINC000121605520 195314860 /nfs/dbraw/zinc/31/48/60/195314860.db2.gz MMTOEUJYACCCTC-UHFFFAOYSA-N 1 0 303.454 2.258 10 30 DEEERO N#C[C@]1(N2CC[NH2+]CC2)CCc2cc(Br)ccc21 ZINC000127568585 195888808 /nfs/dbraw/zinc/88/88/08/195888808.db2.gz WXWLSGGCKVKQPZ-CQSZACIVSA-N 1 0 306.207 2.019 10 30 DEEERO N#Cc1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1F ZINC000191998133 145068761 /nfs/dbraw/zinc/06/87/61/145068761.db2.gz JLFSRXXXUHKGBQ-UHFFFAOYSA-N 1 0 311.364 2.200 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000246965351 145121135 /nfs/dbraw/zinc/12/11/35/145121135.db2.gz FWVSWWQJMVOUPX-MLGOLLRUSA-N 1 0 318.396 2.225 10 30 DEEERO CN(C)C=Nc1scc[n+]1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004276877 401726136 /nfs/dbraw/zinc/72/61/36/401726136.db2.gz HZOROOQRZHPPSS-UHFFFAOYSA-N 1 0 319.366 2.048 10 30 DEEERO N#Cc1cccnc1-n1c2ccccc2nc1N1CCC([NH3+])CC1 ZINC000072202893 401703456 /nfs/dbraw/zinc/70/34/56/401703456.db2.gz WGHKPLWUVSIRDT-UHFFFAOYSA-N 1 0 318.384 2.220 10 30 DEEERO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C#N)cn1C)c1ccco1 ZINC000081726177 401898207 /nfs/dbraw/zinc/89/82/07/401898207.db2.gz XHNKHNBTTMHDGW-HNNXBMFYSA-N 1 0 314.389 2.303 10 30 DEEERO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000092506611 402005098 /nfs/dbraw/zinc/00/50/98/402005098.db2.gz YBXNHTSQPHUTKC-ZNMIVQPWSA-N 1 0 303.406 2.225 10 30 DEEERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000070788053 402264753 /nfs/dbraw/zinc/26/47/53/402264753.db2.gz KNFFPOSSWZHQQA-STQMWFEESA-N 1 0 319.405 2.115 10 30 DEEERO C[C@H]1CCN(c2cnc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000125996011 402259638 /nfs/dbraw/zinc/25/96/38/402259638.db2.gz YKOZQAYSZZMGTR-HNNXBMFYSA-N 1 0 307.401 2.449 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C#N)cn1C)C(C)C ZINC000176070619 402275642 /nfs/dbraw/zinc/27/56/42/402275642.db2.gz RURXFIIUANZRDD-KRWDZBQOSA-N 1 0 314.433 2.325 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1OCC#N ZINC000176980781 402356556 /nfs/dbraw/zinc/35/65/56/402356556.db2.gz YDRZZCTZEOZRCM-AWEZNQCLSA-N 1 0 301.390 2.145 10 30 DEEERO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000185914060 402388723 /nfs/dbraw/zinc/38/87/23/402388723.db2.gz NEZFPUGRFYZGHD-KRWDZBQOSA-N 1 0 301.390 2.057 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1sccc1C#N ZINC000246102506 402509615 /nfs/dbraw/zinc/50/96/15/402509615.db2.gz OUWKQDFZVSWKNX-KGLIPLIRSA-N 1 0 318.446 2.117 10 30 DEEERO N#Cc1ccc(F)c(CN2CCN(c3ncccc3C#N)CC2)c1 ZINC000247634383 402573419 /nfs/dbraw/zinc/57/34/19/402573419.db2.gz CVIWOKZAGAFOQK-UHFFFAOYSA-N 1 0 321.359 2.286 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246387596 402528436 /nfs/dbraw/zinc/52/84/36/402528436.db2.gz OSOQEWQNVBRUIW-WMLDXEAASA-N 1 0 305.422 2.209 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248075188 402581964 /nfs/dbraw/zinc/58/19/64/402581964.db2.gz MVPMGZWKHVEGEO-XYJFISCASA-N 1 0 308.466 2.427 10 30 DEEERO CN(CCC#N)C(=O)CC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000179367180 402587094 /nfs/dbraw/zinc/58/70/94/402587094.db2.gz NYAGUASBPIWNGC-UHFFFAOYSA-N 1 0 310.401 2.288 10 30 DEEERO Cn1cc(CN2CCC([NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179937926 402603473 /nfs/dbraw/zinc/60/34/73/402603473.db2.gz JSRQRBFYUVPMIY-UHFFFAOYSA-N 1 0 323.444 2.485 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000249501577 402631487 /nfs/dbraw/zinc/63/14/87/402631487.db2.gz AOQVSSNGSIGACO-CABCVRRESA-N 1 0 315.417 2.174 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C#N)cc1F ZINC000172264403 402647379 /nfs/dbraw/zinc/64/73/79/402647379.db2.gz QZGICLDFHLJIOU-IUODEOHRSA-N 1 0 316.380 2.075 10 30 DEEERO CC[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000181560317 402649759 /nfs/dbraw/zinc/64/97/59/402649759.db2.gz ZVZZBBPIPLLVLH-OAHLLOKOSA-N 1 0 318.377 2.398 10 30 DEEERO CN1CC[NH+]([C@H]2CCCCN(Cc3ccccc3C#N)C2)CC1 ZINC000174876696 402760653 /nfs/dbraw/zinc/76/06/53/402760653.db2.gz WMDBHYKAGHICHB-IBGZPJMESA-N 1 0 312.461 2.160 10 30 DEEERO C=CCCCC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000175965917 402845308 /nfs/dbraw/zinc/84/53/08/402845308.db2.gz ZFHYQCRDVNZSID-UHFFFAOYSA-N 1 0 307.482 2.409 10 30 DEEERO C#CCC(CC#C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000277712220 403248281 /nfs/dbraw/zinc/24/82/81/403248281.db2.gz PAXCEQQJALVRJW-UHFFFAOYSA-N 1 0 300.377 2.166 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000286988607 403551323 /nfs/dbraw/zinc/55/13/23/403551323.db2.gz JTFOCBJWKUKAOP-WBVHZDCISA-N 1 0 313.445 2.403 10 30 DEEERO C=C[C@@](C)(O)CC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000346024996 403570995 /nfs/dbraw/zinc/57/09/95/403570995.db2.gz ADZPGHNLDQGVIH-GOSISDBHSA-N 1 0 317.433 2.094 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)c1ccc(C#N)nn1 ZINC000301946765 403703898 /nfs/dbraw/zinc/70/38/98/403703898.db2.gz HFXQWBPKIRMUSN-KRWDZBQOSA-N 1 0 322.416 2.234 10 30 DEEERO C#CCC(CC#C)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000288073108 403719210 /nfs/dbraw/zinc/71/92/10/403719210.db2.gz YOMDTFJKCCXPGK-UHFFFAOYSA-N 1 0 323.440 2.430 10 30 DEEERO C[C@H](CCC#N)[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000411572069 403898879 /nfs/dbraw/zinc/89/88/79/403898879.db2.gz QWXSCHUCLIWUSJ-AEFFLSMTSA-N 1 0 301.434 2.247 10 30 DEEERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000334096498 403909777 /nfs/dbraw/zinc/90/97/77/403909777.db2.gz SHCSSASYYWPQJO-JONQDZQNSA-N 1 0 304.438 2.337 10 30 DEEERO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000296197207 404138895 /nfs/dbraw/zinc/13/88/95/404138895.db2.gz NCCNZMCBDSZCDA-LBPRGKRZSA-N 1 0 309.360 2.280 10 30 DEEERO C=CCOc1cccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1 ZINC000344514311 404195686 /nfs/dbraw/zinc/19/56/86/404195686.db2.gz MKLKGGHAFQMQER-LXZKKBNFSA-N 1 0 300.402 2.350 10 30 DEEERO CO[C@@H]1CCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329295667 404292117 /nfs/dbraw/zinc/29/21/17/404292117.db2.gz OOPPXXXTENVOTR-NIOBXDJOSA-N 1 0 309.454 2.320 10 30 DEEERO CN(C(=O)CNC(=O)CC1CCCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000329430495 404334773 /nfs/dbraw/zinc/33/47/73/404334773.db2.gz HLVQZSAPFHNMIR-MRXNPFEDSA-N 1 0 321.465 2.466 10 30 DEEERO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)[NH+]1CCC(C)CC1 ZINC000329545624 404371726 /nfs/dbraw/zinc/37/17/26/404371726.db2.gz ZOOCJVGRQXWOAH-QKPAOTATSA-N 1 0 310.438 2.115 10 30 DEEERO Cn1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)c(C2CC2)n1 ZINC000329606234 404391702 /nfs/dbraw/zinc/39/17/02/404391702.db2.gz HXSQFLOWWQSXSR-UHFFFAOYSA-N 1 0 315.421 2.179 10 30 DEEERO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cn(C)nc2C2CC2)C[C@H]1C ZINC000329633232 404402560 /nfs/dbraw/zinc/40/25/60/404402560.db2.gz SINMKYPWCNTKGZ-NEPJUHHUSA-N 1 0 305.426 2.258 10 30 DEEERO C=CCn1c(CC2CC2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000351071617 404510088 /nfs/dbraw/zinc/51/00/88/404510088.db2.gz DUDYGJKDTDAOHA-HNNXBMFYSA-N 1 0 301.438 2.090 10 30 DEEERO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2-n2cccn2)C1=O ZINC000373959923 404656425 /nfs/dbraw/zinc/65/64/25/404656425.db2.gz WSCYOCUQILJCKX-GOEBONIOSA-N 1 0 310.401 2.310 10 30 DEEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)cn1 ZINC000330291857 404616458 /nfs/dbraw/zinc/61/64/58/404616458.db2.gz GTZMGDKXCCWJAE-LSDHHAIUSA-N 1 0 306.410 2.031 10 30 DEEERO C=CCCC[C@@H](C)NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359454223 404793754 /nfs/dbraw/zinc/79/37/54/404793754.db2.gz IIVKRZHRMPXOQG-QQFBHYJXSA-N 1 0 323.481 2.084 10 30 DEEERO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)ccc1C#N ZINC000407961151 405076839 /nfs/dbraw/zinc/07/68/39/405076839.db2.gz BHGWPNVSEKRGMQ-KSZLIROESA-N 1 0 300.402 2.229 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000424476471 405104432 /nfs/dbraw/zinc/10/44/32/405104432.db2.gz ZVWIVQGYYOCXGZ-HOTGVXAUSA-N 1 0 309.454 2.128 10 30 DEEERO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418752823 405194714 /nfs/dbraw/zinc/19/47/14/405194714.db2.gz UKQICLRRYCHXRC-OAHLLOKOSA-N 1 0 323.387 2.424 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000425561881 405303655 /nfs/dbraw/zinc/30/36/55/405303655.db2.gz DHBAYKCCAHKVGP-ULQDDVLXSA-N 1 0 323.481 2.245 10 30 DEEERO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C#N)n2C)c1 ZINC000448773346 405446880 /nfs/dbraw/zinc/44/68/80/405446880.db2.gz HRGWMDDDKXBINY-UHFFFAOYSA-N 1 0 310.401 2.278 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(C#N)n1C)C(C)C ZINC000448974489 405481177 /nfs/dbraw/zinc/48/11/77/405481177.db2.gz LAEAZDMRSQVKOW-QGZVFWFLSA-N 1 0 314.433 2.325 10 30 DEEERO C=CCOc1ccc(C[N@@H+](C[C@H](O)CO)C(C)C)cc1Cl ZINC000421407302 405493934 /nfs/dbraw/zinc/49/39/34/405493934.db2.gz IYIVWYBQVOYSAB-AWEZNQCLSA-N 1 0 313.825 2.468 10 30 DEEERO C=CCOc1ccc(C[NH2+]C2(CCO)CCN(C)CC2)cc1 ZINC000578026044 405559479 /nfs/dbraw/zinc/55/94/79/405559479.db2.gz IXCUHFXRVITJPD-UHFFFAOYSA-N 1 0 304.434 2.188 10 30 DEEERO C=CCC[C@@H](CO)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000456778048 405562989 /nfs/dbraw/zinc/56/29/89/405562989.db2.gz NPWHXMBGXMACCA-KRWDZBQOSA-N 1 0 302.418 2.339 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449394836 405543421 /nfs/dbraw/zinc/54/34/21/405543421.db2.gz HCBTXDCCORIJSS-KRWDZBQOSA-N 1 0 304.434 2.188 10 30 DEEERO C=CCOc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)cc1OC ZINC000638569002 405549327 /nfs/dbraw/zinc/54/93/27/405549327.db2.gz TZXSNKPRTZDRKQ-UONOGXRCSA-N 1 0 304.390 2.130 10 30 DEEERO C=CCc1ccc(OCC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(OC)c1 ZINC000638658889 405600054 /nfs/dbraw/zinc/60/00/54/405600054.db2.gz UXMRFDMNSGFZNS-DZGCQCFKSA-N 1 0 318.417 2.059 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2ccc(COC)c(OC)c2)CCC[NH2+]1 ZINC000638741114 405643298 /nfs/dbraw/zinc/64/32/98/405643298.db2.gz FDRMYSJGPNPZFN-KRWDZBQOSA-N 1 0 304.390 2.478 10 30 DEEERO C=CC[C@]1(C(=O)N[C@@H](C)c2ccc3[nH]c(=O)oc3c2)CCC[NH2+]1 ZINC000638992384 405804764 /nfs/dbraw/zinc/80/47/64/405804764.db2.gz ATDZMMQOWLOCQR-APPDUMDISA-N 1 0 315.373 2.409 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433028775 405854867 /nfs/dbraw/zinc/85/48/67/405854867.db2.gz DBGJCJUHDQYFIX-HNNXBMFYSA-N 1 0 314.389 2.023 10 30 DEEERO C=CCCCCCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000563372969 406060139 /nfs/dbraw/zinc/06/01/39/406060139.db2.gz DTBVHEJSRXDWMW-UHFFFAOYSA-N 1 0 324.513 2.448 10 30 DEEERO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)CC1(O)CCOCC1 ZINC000639618198 406172247 /nfs/dbraw/zinc/17/22/47/406172247.db2.gz FQCULGOINSBYLY-SFHVURJKSA-N 1 0 319.445 2.357 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000519579520 406214039 /nfs/dbraw/zinc/21/40/39/406214039.db2.gz DLCOCCXUOWGLBD-PBHICJAKSA-N 1 0 303.406 2.005 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000632657556 406218399 /nfs/dbraw/zinc/21/83/99/406218399.db2.gz NWTXFSPTXFHWBF-UHFFFAOYSA-N 1 0 323.481 2.039 10 30 DEEERO C=CC(C)(C)CCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000637321933 406257880 /nfs/dbraw/zinc/25/78/80/406257880.db2.gz MIXRZGZISZIXFM-UHFFFAOYSA-N 1 0 311.470 2.123 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000637324559 406258890 /nfs/dbraw/zinc/25/88/90/406258890.db2.gz WTGPPZUXCKTDQE-UHFFFAOYSA-N 1 0 324.513 2.304 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000637323631 406259042 /nfs/dbraw/zinc/25/90/42/406259042.db2.gz KYOWZCZXUPXOIP-CQSZACIVSA-N 1 0 311.470 2.075 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C(C)C ZINC000635559631 406591108 /nfs/dbraw/zinc/59/11/08/406591108.db2.gz GVMLTNMFMFHEIX-BFYDXBDKSA-N 1 0 316.449 2.328 10 30 DEEERO C=CCNc1ncc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)s1 ZINC000128931140 196005635 /nfs/dbraw/zinc/00/56/35/196005635.db2.gz BXGCWXKEPFPHOU-VXGBXAGGSA-N 1 0 306.435 2.050 10 30 DEEERO CSC[C@H](C)CNC(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129162175 196025082 /nfs/dbraw/zinc/02/50/82/196025082.db2.gz FNUKDRGTSZVWSM-LLVKDONJSA-N 1 0 310.850 2.379 10 30 DEEERO C=CCN(C)S(=O)(=O)c1cc(C[NH2+]C2CC2)ccc1Cl ZINC000132301800 196243008 /nfs/dbraw/zinc/24/30/08/196243008.db2.gz VBGQJFKBZLRWEB-UHFFFAOYSA-N 1 0 314.838 2.399 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000132448462 196257188 /nfs/dbraw/zinc/25/71/88/196257188.db2.gz VKMZYEPOJURDGE-MNOVXSKESA-N 1 0 308.179 2.387 10 30 DEEERO CCC[NH2+][C@H](C)c1ccc(OCC(=O)NCC#N)c(Cl)c1 ZINC000132507893 196261793 /nfs/dbraw/zinc/26/17/93/196261793.db2.gz HOLPQLZOAAIGFS-LLVKDONJSA-N 1 0 309.797 2.419 10 30 DEEERO C[C@H]1C[NH2+]C[C@@H](COc2ccc(Br)cc2C#N)O1 ZINC000133807311 196337496 /nfs/dbraw/zinc/33/74/96/196337496.db2.gz GPNLPIVQKNJMFN-CABZTGNLSA-N 1 0 311.179 2.076 10 30 DEEERO CSc1c(C(=O)NC2CC([NH+]3CCCCC3)C2)cnn1C ZINC000330118951 225968953 /nfs/dbraw/zinc/96/89/53/225968953.db2.gz ZGIGAAKFRXPPMM-UHFFFAOYSA-N 1 0 308.451 2.464 10 30 DEEERO N#C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000333650626 226109095 /nfs/dbraw/zinc/10/90/95/226109095.db2.gz JTVVMIIOGFIGBG-ZACQAIPSSA-N 1 0 312.417 2.077 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000334090145 226115168 /nfs/dbraw/zinc/11/51/68/226115168.db2.gz NTNRQMJJKABKNH-JYJNAYRXSA-N 1 0 304.438 2.196 10 30 DEEERO C=CCNc1ncc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000530276787 421590793 /nfs/dbraw/zinc/59/07/93/421590793.db2.gz NYXPAZDVFZGLBQ-CYBMUJFWSA-N 1 0 320.462 2.488 10 30 DEEERO CCc1ccc([C@H](CNc2nc(C)cc(C#N)n2)[NH+](C)C)cc1 ZINC000439134182 425037193 /nfs/dbraw/zinc/03/71/93/425037193.db2.gz UMDUDVAKNXKHFV-KRWDZBQOSA-N 1 0 309.417 2.934 10 30 DEEERO C=CCNC(=O)c1ccc(NCC[NH+]2[C@H](C)CCC[C@H]2C)nc1 ZINC000352964919 425050324 /nfs/dbraw/zinc/05/03/24/425050324.db2.gz AHWXKMSGPBFSSS-HUUCEWRRSA-N 1 0 316.449 2.672 10 30 DEEERO C[C@@H](O)C[N@@H+]1CCN(CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000177130013 274269479 /nfs/dbraw/zinc/26/94/79/274269479.db2.gz ZRHUPAAXDWVANL-HUUCEWRRSA-N 1 0 306.837 2.078 10 30 DEEERO CC[NH+]=C(NC[C@@]1(O)CCSC1)NC1CCC(CC)CC1 ZINC000262341870 276095873 /nfs/dbraw/zinc/09/58/73/276095873.db2.gz CSQQAGXGPQFEIE-XUJLQICISA-N 1 0 313.511 2.378 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000245419894 276170255 /nfs/dbraw/zinc/17/02/55/276170255.db2.gz HGZHXYTUEQPCJU-GDBMZVCRSA-N 1 0 314.433 2.301 10 30 DEEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261804897 276845181 /nfs/dbraw/zinc/84/51/81/276845181.db2.gz SCDZOOXJUVRIEA-GVRJEKJASA-N 1 0 305.466 2.497 10 30 DEEERO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(C#N)cn2C)o1 ZINC000081726830 281606966 /nfs/dbraw/zinc/60/69/66/281606966.db2.gz FBNSEJSQIZXDJH-UHFFFAOYSA-N 1 0 314.389 2.002 10 30 DEEERO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC1(CO)CC1 ZINC000186785679 333379113 /nfs/dbraw/zinc/37/91/13/333379113.db2.gz GHDXPXPNSYVHSD-CSLYMUCUSA-N 1 0 321.465 2.010 10 30 DEEERO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC1(CO)CC1 ZINC000186785663 333379151 /nfs/dbraw/zinc/37/91/51/333379151.db2.gz GHDXPXPNSYVHSD-SWKXRBFHSA-N 1 0 321.465 2.010 10 30 DEEERO N#Cc1cc(Br)cnc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389453082 336393186 /nfs/dbraw/zinc/39/31/86/336393186.db2.gz WVHSVOYHDYGXSX-PHIMTYICSA-N 1 0 321.222 2.152 10 30 DEEERO C=CCOc1ccc(C[NH2+]C(C)(C)CN2CCOCC2)cc1 ZINC000308636647 340423016 /nfs/dbraw/zinc/42/30/16/340423016.db2.gz NDDUMMHDKLXHBZ-UHFFFAOYSA-N 1 0 304.434 2.452 10 30 DEEERO C=CCn1c(C)cc(C(=O)CN2CCC([NH+](C)C)CC2)c1C ZINC000133095228 341154469 /nfs/dbraw/zinc/15/44/69/341154469.db2.gz DOSRMBLRIMYTNP-UHFFFAOYSA-N 1 0 303.450 2.500 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NC[C@H]2SCCc3ccccc32)CCO1 ZINC000262458372 534271726 /nfs/dbraw/zinc/27/17/26/534271726.db2.gz LSWCYDYJHNJXPM-IUODEOHRSA-N 1 0 305.447 2.052 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC000262456356 534271193 /nfs/dbraw/zinc/27/11/93/534271193.db2.gz LHFIDSNXJUKNJT-IJLUTSLNSA-N 1 0 307.360 2.391 10 30 DEEERO C#CCOC[C@H](O)C[N@H+](Cc1cccc(OC)c1)CC(C)C ZINC000036100119 518312341 /nfs/dbraw/zinc/31/23/41/518312341.db2.gz QIOBRPOADKMPNI-QGZVFWFLSA-N 1 0 305.418 2.164 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C#N)c(O)c2)[C@@H](C)C1 ZINC000248868968 521719020 /nfs/dbraw/zinc/71/90/20/521719020.db2.gz BJGHDIUJUIBPKU-WFASDCNBSA-N 1 0 301.390 2.066 10 30 DEEERO C=CCN(CCOC)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000189002245 526290367 /nfs/dbraw/zinc/29/03/67/526290367.db2.gz AHTZOKGHYYELAB-UHFFFAOYSA-N 1 0 323.412 2.231 10 30 DEEERO C[NH+]=C(NCCC1CCCCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261866030 526354230 /nfs/dbraw/zinc/35/42/30/526354230.db2.gz ZZEFURGKDHHEIP-SFHVURJKSA-N 1 0 320.481 2.134 10 30 DEEERO C[NH+]=C(NCCOc1ncccc1F)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261834548 526362122 /nfs/dbraw/zinc/36/21/22/526362122.db2.gz VQHYYUNBHVWQQM-OKILXGFUSA-N 1 0 320.412 2.297 10 30 DEEERO C[NH+]=C(NCCc1c[nH]c2ncccc12)N(C)Cc1ccco1 ZINC000261951247 526364376 /nfs/dbraw/zinc/36/43/76/526364376.db2.gz YZMWDKGMFIPVHY-UHFFFAOYSA-N 1 0 311.389 2.406 10 30 DEEERO C[NH+]=C(NCCc1c[nH]c2ncccc12)NC[C@@H]1CCCS1 ZINC000261939136 526364897 /nfs/dbraw/zinc/36/48/97/526364897.db2.gz DDRODXCFVSGSCS-ZDUSSCGKSA-N 1 0 317.462 2.166 10 30 DEEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N(C)Cc1ccc[nH]1 ZINC000262772652 526376061 /nfs/dbraw/zinc/37/60/61/526376061.db2.gz IHWNULSMMBKKOE-HNNXBMFYSA-N 1 0 320.824 2.409 10 30 DEEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)NCC1CCC1 ZINC000262451656 526376633 /nfs/dbraw/zinc/37/66/33/526376633.db2.gz JZVOLLFWDPLTBQ-JTQLQIEISA-N 1 0 301.843 2.400 10 30 DEEERO C=CCN1CC[C@H]([N@H+](CC)[C@H](COC)Cc2ccccc2)C1=O ZINC000337188249 526504993 /nfs/dbraw/zinc/50/49/93/526504993.db2.gz QDKZJRCRSBLRFR-ROUUACIJSA-N 1 0 316.445 2.353 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)C1=O ZINC000337216281 526514947 /nfs/dbraw/zinc/51/49/47/526514947.db2.gz ZEDGZKJAXFOZIC-LNCBFAARSA-N 1 0 300.402 2.316 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)c2cc(O)ccc2OC)CC1 ZINC000186688583 526598708 /nfs/dbraw/zinc/59/87/08/526598708.db2.gz HGSCJAYFSFIZOI-UHFFFAOYSA-N 1 0 304.390 2.171 10 30 DEEERO C=C(C)Cn1c(C)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000338849472 526723523 /nfs/dbraw/zinc/72/35/23/526723523.db2.gz VYTHRCJYHDLKJX-UHFFFAOYSA-N 1 0 303.454 2.475 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000262037216 526950376 /nfs/dbraw/zinc/95/03/76/526950376.db2.gz YBYFJMZCTKTEJE-KURKYZTESA-N 1 0 316.445 2.498 10 30 DEEERO C=CC(C)(C)CNC(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415264114 526951372 /nfs/dbraw/zinc/95/13/72/526951372.db2.gz OEUDUFUQLKIJLS-UHFFFAOYSA-N 1 0 303.406 2.063 10 30 DEEERO C=CCOc1cccnc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341981872 526953245 /nfs/dbraw/zinc/95/32/45/526953245.db2.gz FBPQFBVNBYYBOU-ZIAGYGMSSA-N 1 0 303.406 2.201 10 30 DEEERO C=CCC[C@@H](O)C[NH+]1CCc2cc(OC)c(OC)cc2CC1 ZINC000370496908 527458393 /nfs/dbraw/zinc/45/83/93/527458393.db2.gz XPRIQRRZZYWQGS-MRXNPFEDSA-N 1 0 305.418 2.432 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000424925552 527493211 /nfs/dbraw/zinc/49/32/11/527493211.db2.gz PLPDMHVKCWZBFD-ULQDDVLXSA-N 1 0 302.418 2.387 10 30 DEEERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=[NH2+])NC1CC1)O[C@@H](C)C2 ZINC000263107368 528349534 /nfs/dbraw/zinc/34/95/34/528349534.db2.gz AEWDIUMYOFZNLL-XEGUGMAKSA-N 1 0 315.417 2.331 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(c2ccc(F)cc2)CCC1 ZINC000066244347 625057958 /nfs/dbraw/zinc/05/79/58/625057958.db2.gz JZUAKBNIIVTIQQ-HNNXBMFYSA-N 1 0 305.397 2.331 10 30 DEEERO CC[C@@H](C(=O)NCc1ccc(OC)c(C#N)c1)[NH+](CC)CC ZINC000747064263 638403372 /nfs/dbraw/zinc/40/33/72/638403372.db2.gz LGPTYVNUKNJNEO-HNNXBMFYSA-N 1 0 303.406 2.303 10 30 DEEERO C[NH+]=C(NCC(=O)OC(C)(C)C)N[C@H]1CCOc2ccccc21 ZINC000085305948 641210336 /nfs/dbraw/zinc/21/03/36/641210336.db2.gz LFKXVFWEONALTK-ZDUSSCGKSA-N 1 0 319.405 2.017 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)OC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000803857424 645707227 /nfs/dbraw/zinc/70/72/27/645707227.db2.gz FNCKSLKRVORORW-JKSUJKDBSA-N 1 0 322.449 2.383 10 30 DEEERO C[NH+]=C(NCc1cn2c(n1)CCCC2)N1C[C@H](C)C[C@@H](C)C1 ZINC000073106906 649617915 /nfs/dbraw/zinc/61/79/15/649617915.db2.gz LPAUSNCYZRDWBB-ZIAGYGMSSA-N 1 0 303.454 2.273 10 30 DEEERO CCCNC(=[NH2+])NCc1cccc(COC2CCOCC2)c1 ZINC000304748205 685258797 /nfs/dbraw/zinc/25/87/97/685258797.db2.gz GZIZLCWMVQYOHS-UHFFFAOYSA-N 1 0 305.422 2.197 10 30 DEEERO Cc1nccn1C[C@H](C)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123629393 684127290 /nfs/dbraw/zinc/12/72/90/684127290.db2.gz CSZYMUPGXAJEAP-CYBMUJFWSA-N 1 0 308.389 2.137 10 30 DEEERO C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261949578 685199938 /nfs/dbraw/zinc/19/99/38/685199938.db2.gz GXHBSXBFPABKJZ-CQSZACIVSA-N 1 0 317.433 2.369 10 30 DEEERO C#CC[C@H](COC)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716856464 793010176 /nfs/dbraw/zinc/01/01/76/793010176.db2.gz LZHQGCBLPASGBR-OAHLLOKOSA-N 1 0 310.438 2.261 10 30 DEEERO C[C@]12C[NH2+]C[C@H]1CN(c1ccc(C#N)cc1Br)C2 ZINC000703583878 1086522969 /nfs/dbraw/zinc/52/29/69/1086522969.db2.gz LORWUWAQAGTWPM-SMDDNHRTSA-N 1 0 306.207 2.366 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000076734696 185036833 /nfs/dbraw/zinc/03/68/33/185036833.db2.gz VKAJARQUPJFFRM-UHFFFAOYSA-N 1 0 303.406 2.273 10 30 DEEERO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccnc1 ZINC000163145722 197614533 /nfs/dbraw/zinc/61/45/33/197614533.db2.gz HMWVJROEGVFNNZ-CYBMUJFWSA-N 1 0 315.398 2.078 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000078965065 185136317 /nfs/dbraw/zinc/13/63/17/185136317.db2.gz HCZKVLQHFKCYHL-LSDHHAIUSA-N 1 0 315.417 2.174 10 30 DEEERO Cn1cc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(C2CC2)n1 ZINC000329840601 404467034 /nfs/dbraw/zinc/46/70/34/404467034.db2.gz WJYOJDCTERAFKX-CQSZACIVSA-N 1 0 317.437 2.403 10 30 DEEERO [NH3+]CC#Cc1ccc(NS(=O)(=O)C2CCCCC2)cc1F ZINC000088083303 185239244 /nfs/dbraw/zinc/23/92/44/185239244.db2.gz KHJYJJYETJKOQC-UHFFFAOYSA-N 1 0 310.394 2.210 10 30 DEEERO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)CO ZINC000088195655 185241405 /nfs/dbraw/zinc/24/14/05/185241405.db2.gz UHAAANFMOQKPAL-LLVKDONJSA-N 1 0 312.207 2.179 10 30 DEEERO CC[C@H](C)NC(=[NH2+])NCc1cn2cc(Br)ccc2n1 ZINC000261879590 529695728 /nfs/dbraw/zinc/69/57/28/529695728.db2.gz QPSJIDGRWAIISU-VIFPVBQESA-N 1 0 324.226 2.300 10 30 DEEERO CCc1nn(-c2ccccc2)c(CC)c1CNC1=[NH+]CCN1C ZINC000262672079 529764582 /nfs/dbraw/zinc/76/45/82/529764582.db2.gz RMNSLYKHEGNJJB-UHFFFAOYSA-N 1 0 311.433 2.388 10 30 DEEERO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000181746344 199346490 /nfs/dbraw/zinc/34/64/90/199346490.db2.gz WTZSQIXGHHOBLE-RBUKOAKNSA-N 1 0 313.445 2.416 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000625702363 365877618 /nfs/dbraw/zinc/87/76/18/365877618.db2.gz XWLOQUGRVREZLT-AWEZNQCLSA-N 1 0 309.431 2.367 10 30 DEEERO Cc1cc(C(=O)NN2[C@H](C)CCC[C@H]2C)sc1C#CC[NH3+] ZINC000149883169 186053620 /nfs/dbraw/zinc/05/36/20/186053620.db2.gz ZUWKGMFXCRTZEI-CHWSQXEVSA-N 1 0 305.447 2.274 10 30 DEEERO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000329377853 539919667 /nfs/dbraw/zinc/91/96/67/539919667.db2.gz OSIVFNXGJQPWQY-CHWSQXEVSA-N 1 0 313.467 2.129 10 30 DEEERO C=CCC1(NC(=O)CCN(C)c2cc[nH+]cc2)CCOCC1 ZINC000618249251 363431219 /nfs/dbraw/zinc/43/12/19/363431219.db2.gz MNZRQZIALBFNDN-UHFFFAOYSA-N 1 0 303.406 2.149 10 30 DEEERO N#Cc1c(Br)cccc1N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261587365 283072737 /nfs/dbraw/zinc/07/27/37/283072737.db2.gz UZAPBRBOHVLPST-XHVZSJERSA-N 1 0 306.207 2.494 10 30 DEEERO C=CCCCN(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000076982589 355177866 /nfs/dbraw/zinc/17/78/66/355177866.db2.gz SSSUFFPCDCLMIU-UHFFFAOYSA-N 1 0 309.454 2.239 10 30 DEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000595605077 358498317 /nfs/dbraw/zinc/49/83/17/358498317.db2.gz UYWGQFWOCJVGRE-OAGGEKHMSA-N 1 0 324.465 2.415 10 30 DEEERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000187261396 295909641 /nfs/dbraw/zinc/90/96/41/295909641.db2.gz DHPUUMRNPADJIK-AWEZNQCLSA-N 1 0 318.425 2.183 10 30 DEEERO C[C@H](NS(=O)(=O)CC(C)(C)C)c1ccc(C#CC[NH3+])cc1 ZINC000080192897 192010629 /nfs/dbraw/zinc/01/06/29/192010629.db2.gz SNLMDKDUBPKOAV-ZDUSSCGKSA-N 1 0 308.447 2.023 10 30 DEEERO C=CCSCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000194625210 356241855 /nfs/dbraw/zinc/24/18/55/356241855.db2.gz HUUHAFWKQCZROM-INIZCTEOSA-N 1 0 321.490 2.378 10 30 DEEERO CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(C#N)cc1 ZINC000618571667 363531259 /nfs/dbraw/zinc/53/12/59/363531259.db2.gz ICCXBEBJEMTRIN-MRXNPFEDSA-N 1 0 321.446 2.025 10 30 DEEERO N#Cc1c2c(sc1NC(=O)CC[C@@H]1CCCO1)C[NH2+]CC2 ZINC000087236404 192631602 /nfs/dbraw/zinc/63/16/02/192631602.db2.gz GTBFQYRHVUFYMX-JTQLQIEISA-N 1 0 305.403 2.163 10 30 DEEERO Cc1ccc(C#N)c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000585789545 357356831 /nfs/dbraw/zinc/35/68/31/357356831.db2.gz OEXJSFLVCFLBEC-DOTOQJQBSA-N 1 0 324.432 2.490 10 30 DEEERO C[NH+](C)CCn1cc(NC(=O)c2cc(C#N)ccc2Cl)cn1 ZINC000586764525 357367121 /nfs/dbraw/zinc/36/71/21/357367121.db2.gz LSDXZYXSTDZIAE-UHFFFAOYSA-N 1 0 317.780 2.222 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000262340902 283261386 /nfs/dbraw/zinc/26/13/86/283261386.db2.gz YGZJILHLMLTNJZ-GRYCIOLGSA-N 1 0 307.360 2.438 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N(C)CCc2ncc(C)s2)CC1 ZINC000179229582 199002092 /nfs/dbraw/zinc/00/20/92/199002092.db2.gz NWQPOQZNLMWUBU-UHFFFAOYSA-N 1 0 322.478 2.286 10 30 DEEERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593373096 358063713 /nfs/dbraw/zinc/06/37/13/358063713.db2.gz AFLPCDBDPKBQGZ-YVEFUNNKSA-N 1 0 310.401 2.066 10 30 DEEERO CN(CC1C[NH+](C)C1)c1cc(Br)c(C#N)cc1F ZINC000596452103 358690099 /nfs/dbraw/zinc/69/00/99/358690099.db2.gz CLMNFXWLYJILLQ-UHFFFAOYSA-N 1 0 312.186 2.458 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000599526884 359517850 /nfs/dbraw/zinc/51/78/50/359517850.db2.gz VVZKBKWRKJJISF-IRXDYDNUSA-N 1 0 300.402 2.390 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000186713783 199995934 /nfs/dbraw/zinc/99/59/34/199995934.db2.gz ZMTOBBDJEOULJW-IUODEOHRSA-N 1 0 312.435 2.036 10 30 DEEERO C=CCOCC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611559969 361630772 /nfs/dbraw/zinc/63/07/72/361630772.db2.gz YFMKQUAQXYTUPT-LBPRGKRZSA-N 1 0 307.350 2.104 10 30 DEEERO C[N@H+](CCCNC(=O)c1ccnc(C#N)c1)Cc1ccccc1 ZINC000195081089 201335934 /nfs/dbraw/zinc/33/59/34/201335934.db2.gz MOVMFJAJOPATCR-UHFFFAOYSA-N 1 0 308.385 2.205 10 30 DEEERO C[C@@H](NC(=O)NCC1CCC(C#N)CC1)C1CC[NH+](C)CC1 ZINC000619658846 363849899 /nfs/dbraw/zinc/84/98/99/363849899.db2.gz FJFLZFMDXKDSJG-WLYUNCDWSA-N 1 0 306.454 2.346 10 30 DEEERO C=CCC[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)C1CC1 ZINC000624116163 365295275 /nfs/dbraw/zinc/29/52/75/365295275.db2.gz JWXBFRYLSKNKFI-CABCVRRESA-N 1 0 312.421 2.037 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624382526 365403665 /nfs/dbraw/zinc/40/36/65/365403665.db2.gz FLQARKFGPZLPSC-OAHLLOKOSA-N 1 0 309.454 2.141 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000624469915 365433507 /nfs/dbraw/zinc/43/35/07/365433507.db2.gz FFQLAXMTJSQFAM-HNNXBMFYSA-N 1 0 311.470 2.245 10 30 DEEERO C[C@@H]1CCCN(C(=O)N(C)Cc2csc(C#CC[NH3+])c2)C1 ZINC000091992509 193138686 /nfs/dbraw/zinc/13/86/86/193138686.db2.gz WHTABTUEDVVEPP-CYBMUJFWSA-N 1 0 305.447 2.342 10 30 DEEERO C=C1CC(C)(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000630635395 367768453 /nfs/dbraw/zinc/76/84/53/367768453.db2.gz BVHGVYAOGFQGSB-UHFFFAOYSA-N 1 0 300.406 2.128 10 30 DEEERO CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc(C#CC[NH3+])cc1 ZINC000093265089 193223098 /nfs/dbraw/zinc/22/30/98/193223098.db2.gz XIEQRCJQYYZVJD-CQSZACIVSA-N 1 0 308.447 2.054 10 30 DEEERO C[C@@H](Cc1ccsc1)NC(=O)c1csc(C#CC[NH3+])c1 ZINC000093976038 193332788 /nfs/dbraw/zinc/33/27/88/193332788.db2.gz LDLUEMYWMYHEOO-NSHDSACASA-N 1 0 304.440 2.481 10 30 DEEERO Cc1cc(C(=O)NCCc2cccs2)sc1C#CC[NH3+] ZINC000094536129 193377680 /nfs/dbraw/zinc/37/76/80/193377680.db2.gz JLARJWODLKDROJ-UHFFFAOYSA-N 1 0 304.440 2.401 10 30 DEEERO CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cc(C)c(C#CC[NH3+])s1 ZINC000094536390 193378261 /nfs/dbraw/zinc/37/82/61/193378261.db2.gz RIUTVNFPWGOTEE-QWHCGFSZSA-N 1 0 306.431 2.006 10 30 DEEERO CC[C@@H]1CN(Cc2cc(F)ccc2C#N)CC[N@@H+]1CCOC ZINC000159953508 197375773 /nfs/dbraw/zinc/37/57/73/197375773.db2.gz MSPRESWLQKBIMU-QGZVFWFLSA-N 1 0 305.397 2.240 10 30 DEEERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CCC#N)C(C)C)cc1 ZINC000042530098 183281309 /nfs/dbraw/zinc/28/13/09/183281309.db2.gz MZWUWOAOSAUHRP-ZDUSSCGKSA-N 1 0 309.435 2.280 10 30 DEEERO CN(Cc1cc(C#CC[NH3+])cs1)C(=O)c1cc(Cl)c[nH]1 ZINC000042400647 183264254 /nfs/dbraw/zinc/26/42/54/183264254.db2.gz ICEYHSKUMGKXCW-UHFFFAOYSA-N 1 0 307.806 2.312 10 30 DEEERO CCCN(CC(F)(F)F)C(=O)c1ccc(C#CC[NH3+])s1 ZINC000042797981 183310364 /nfs/dbraw/zinc/31/03/64/183310364.db2.gz BEUDSGPFCXCHTQ-UHFFFAOYSA-N 1 0 304.337 2.473 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000106111545 194186756 /nfs/dbraw/zinc/18/67/56/194186756.db2.gz JXAPCULBTRUOMM-AWEZNQCLSA-N 1 0 305.397 2.240 10 30 DEEERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)n1cnc(C#N)n1 ZINC000061841903 184189685 /nfs/dbraw/zinc/18/96/85/184189685.db2.gz QZASMBBUSQSHBA-AAEUAGOBSA-N 1 0 320.194 2.239 10 30 DEEERO COCCC[N@H+]1[C@H](C)CN(C(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000062180874 184213408 /nfs/dbraw/zinc/21/34/08/184213408.db2.gz PRNJNVINYOEUMX-GASCZTMLSA-N 1 0 315.417 2.130 10 30 DEEERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ncc(C#N)cc2Cl)C1 ZINC000286521342 219033237 /nfs/dbraw/zinc/03/32/37/219033237.db2.gz VLBXBKIIBDPGOS-KBPBESRZSA-N 1 0 320.824 2.296 10 30 DEEERO CC[C@H]1C[N@H+](CCOc2ccc(C#CCO)cc2)CCS1 ZINC000158029473 197237074 /nfs/dbraw/zinc/23/70/74/197237074.db2.gz JOVYSPGSXTXFCQ-KRWDZBQOSA-N 1 0 305.443 2.237 10 30 DEEERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N ZINC000157559656 197198217 /nfs/dbraw/zinc/19/82/17/197198217.db2.gz COUPSYKMNWYNOQ-TZMCWYRMSA-N 1 0 319.453 2.358 10 30 DEEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000245786291 533161234 /nfs/dbraw/zinc/16/12/34/533161234.db2.gz VIIFIQMEKYWBMX-GOEBONIOSA-N 1 0 311.389 2.406 10 30 DEEERO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)ccc1F ZINC000120740928 195227350 /nfs/dbraw/zinc/22/73/50/195227350.db2.gz UPFRLLVGRIBVCH-QGZVFWFLSA-N 1 0 317.408 2.384 10 30 DEEERO C=CCOc1cccc(CN2CC[N@@H+](CCOC)[C@H](C)C2)c1 ZINC000120801430 195240851 /nfs/dbraw/zinc/24/08/51/195240851.db2.gz UZUWLEXJTIMOHF-MRXNPFEDSA-N 1 0 304.434 2.404 10 30 DEEERO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000362714353 133247254 /nfs/dbraw/zinc/24/72/54/133247254.db2.gz DRIYGYKYXLILMJ-OAUYIBNBSA-N 1 0 322.380 2.168 10 30 DEEERO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000111302105 401710216 /nfs/dbraw/zinc/71/02/16/401710216.db2.gz BMKYNFNAYLUHDN-KRWDZBQOSA-N 1 0 317.408 2.384 10 30 DEEERO N#Cc1ccc(-c2nnc(CN3CCC[N@@H+](C4CC4)CC3)o2)cc1 ZINC000075675773 401766408 /nfs/dbraw/zinc/76/64/08/401766408.db2.gz NXFPCEMPKPAMEE-UHFFFAOYSA-N 1 0 323.400 2.278 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115443350 401828607 /nfs/dbraw/zinc/82/86/07/401828607.db2.gz PVTYBLXAESPGGX-LSDHHAIUSA-N 1 0 315.417 2.126 10 30 DEEERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cccc(C#N)c1 ZINC000131576435 401852933 /nfs/dbraw/zinc/85/29/33/401852933.db2.gz FDQPATYIDYPETE-CQSZACIVSA-N 1 0 318.380 2.446 10 30 DEEERO C[C@@H]1CCCC[N@@H+]1CC#CCON1C(=O)c2ccccc2C1=O ZINC000033868583 401892105 /nfs/dbraw/zinc/89/21/05/401892105.db2.gz CJCZZSQPDRODAT-CQSZACIVSA-N 1 0 312.369 2.092 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000089102104 401935433 /nfs/dbraw/zinc/93/54/33/401935433.db2.gz QIKFYCPZKJEMQB-IAGOWNOFSA-N 1 0 307.482 2.123 10 30 DEEERO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000097269051 402120390 /nfs/dbraw/zinc/12/03/90/402120390.db2.gz DUHGOJNDLBNOFO-CQSZACIVSA-N 1 0 305.397 2.308 10 30 DEEERO N#Cc1cc(F)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000154828494 402234884 /nfs/dbraw/zinc/23/48/84/402234884.db2.gz YJHMZZHUBFOXED-CQSZACIVSA-N 1 0 302.353 2.399 10 30 DEEERO C#CCOc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000177034049 402361460 /nfs/dbraw/zinc/36/14/60/402361460.db2.gz QQRLHJYWZOIZRM-INIZCTEOSA-N 1 0 300.402 2.255 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000177179059 402378486 /nfs/dbraw/zinc/37/84/86/402378486.db2.gz JDEQYBLUPMDWBL-IRXDYDNUSA-N 1 0 315.417 2.188 10 30 DEEERO C=CCN1CCC([NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000186325470 402421870 /nfs/dbraw/zinc/42/18/70/402421870.db2.gz AVMXIFUOEFTLDS-SJORKVTESA-N 1 0 308.466 2.201 10 30 DEEERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246045907 402505481 /nfs/dbraw/zinc/50/54/81/402505481.db2.gz PJMLUGDGSUJXLF-QZTJIDSGSA-N 1 0 310.401 2.261 10 30 DEEERO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000188989218 402529615 /nfs/dbraw/zinc/52/96/15/402529615.db2.gz NHYSZUCDAFJCEC-KRWDZBQOSA-N 1 0 320.396 2.208 10 30 DEEERO CO[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CC[C@H]1C ZINC000189258821 402532761 /nfs/dbraw/zinc/53/27/61/402532761.db2.gz ZAEXKQCTLKNBHI-YPMHNXCESA-N 1 0 307.419 2.305 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000180840849 402627424 /nfs/dbraw/zinc/62/74/24/402627424.db2.gz PIYTYVPLEJPKEW-DLBZAZTESA-N 1 0 312.417 2.055 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000183008219 402732412 /nfs/dbraw/zinc/73/24/12/402732412.db2.gz SITKFXRHPBEQLC-MRVPVSSYSA-N 1 0 301.799 2.064 10 30 DEEERO C=C(C)CN(C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000183104206 402738949 /nfs/dbraw/zinc/73/89/49/402738949.db2.gz GSOQCIRGXPLYDR-UHFFFAOYSA-N 1 0 322.497 2.154 10 30 DEEERO C=CCCCCC[NH+]1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000193335015 402770965 /nfs/dbraw/zinc/77/09/65/402770965.db2.gz DLKCJPVNZWOOCM-UHFFFAOYSA-N 1 0 314.437 2.301 10 30 DEEERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000182896780 402725123 /nfs/dbraw/zinc/72/51/23/402725123.db2.gz CAXFUZZBOXREHN-GUYCJALGSA-N 1 0 309.369 2.208 10 30 DEEERO C=CCOc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1OC ZINC000263927804 402821668 /nfs/dbraw/zinc/82/16/68/402821668.db2.gz SQVBMCDITWSSDY-HNNXBMFYSA-N 1 0 318.417 2.426 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000184267437 402831504 /nfs/dbraw/zinc/83/15/04/402831504.db2.gz WOLQPIFLYPCEGM-LLVKDONJSA-N 1 0 310.195 2.123 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000184287410 402833303 /nfs/dbraw/zinc/83/33/03/402833303.db2.gz GLHKIIIEWDIHMU-LLVKDONJSA-N 1 0 300.196 2.484 10 30 DEEERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271985842 402888001 /nfs/dbraw/zinc/88/80/01/402888001.db2.gz XVKAILQOBMYSQF-DYVFJYSZSA-N 1 0 309.413 2.454 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000286988598 403551865 /nfs/dbraw/zinc/55/18/65/403551865.db2.gz JTFOCBJWKUKAOP-DOTOQJQBSA-N 1 0 313.445 2.403 10 30 DEEERO Cn1cc([C@@H](CNc2snc(Cl)c2C#N)[NH+](C)C)cn1 ZINC000301298836 403612157 /nfs/dbraw/zinc/61/21/57/403612157.db2.gz TYVDKTAGUNINAU-SNVBAGLBSA-N 1 0 310.814 2.116 10 30 DEEERO N#Cc1cc(F)ccc1N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000301743956 403673448 /nfs/dbraw/zinc/67/34/48/403673448.db2.gz ZPPAMUBPNPCRPM-JKSUJKDBSA-N 1 0 303.381 2.123 10 30 DEEERO CCOCCN1CCN(c2cc(C(C)=O)ccc2C#N)C[C@@H]1C ZINC000302118788 403708013 /nfs/dbraw/zinc/70/80/13/403708013.db2.gz SPJTWYYCJYONMH-AWEZNQCLSA-N 1 0 315.417 2.308 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)Nc2snc(C)c2C#N)CC1 ZINC000294360431 403713169 /nfs/dbraw/zinc/71/31/69/403713169.db2.gz ZZWZSCHGNREDAM-UHFFFAOYSA-N 1 0 319.434 2.485 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000288419157 403751140 /nfs/dbraw/zinc/75/11/40/403751140.db2.gz ZTFUDVKEINEXQJ-KRWDZBQOSA-N 1 0 300.377 2.207 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1ccc(I)cc1 ZINC000295349789 403874961 /nfs/dbraw/zinc/87/49/61/403874961.db2.gz IMDICKQGHZRYLZ-GFCCVEGCSA-N 1 0 317.170 2.318 10 30 DEEERO C[C@@H]1CN(c2ncc(Br)cc2C#N)C[C@@]1(C)C[NH3+] ZINC000311199448 403970788 /nfs/dbraw/zinc/97/07/88/403970788.db2.gz JSYYUEFGXBXGQE-NOZJJQNGSA-N 1 0 309.211 2.137 10 30 DEEERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCC3CCC(C#N)CC3)CC[C@H]21 ZINC000369116045 403972174 /nfs/dbraw/zinc/97/21/74/403972174.db2.gz KTCCJVTZWAAFJV-SJJHQCBESA-N 1 0 318.465 2.442 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000320254212 404064140 /nfs/dbraw/zinc/06/41/40/404064140.db2.gz IQWAEBYWPSOQKP-SNVBAGLBSA-N 1 0 314.179 2.204 10 30 DEEERO C#CCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369741526 404215698 /nfs/dbraw/zinc/21/56/98/404215698.db2.gz MQTQBVKAGZQZBR-HIFRSBDPSA-N 1 0 305.447 2.454 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000344516131 404197310 /nfs/dbraw/zinc/19/73/10/404197310.db2.gz ONOHRQAYXCYXLF-IMJJTQAJSA-N 1 0 300.402 2.350 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C1 ZINC000329605559 404390887 /nfs/dbraw/zinc/39/08/87/404390887.db2.gz ZKUBMBPYTGJABI-YYIAUSFCSA-N 1 0 324.465 2.362 10 30 DEEERO Cn1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(C2CC2)n1 ZINC000329613550 404392350 /nfs/dbraw/zinc/39/23/50/404392350.db2.gz KKOMDVKKXMBIKB-CYBMUJFWSA-N 1 0 317.437 2.261 10 30 DEEERO CN(C(=O)Nc1cn(C)nc1C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329618149 404396419 /nfs/dbraw/zinc/39/64/19/404396419.db2.gz LVJFGBLJOHPMLZ-PBWFPOADSA-N 1 0 317.437 2.400 10 30 DEEERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1c1cccnn1 ZINC000329635034 404401905 /nfs/dbraw/zinc/40/19/05/404401905.db2.gz XTTBWICHVNVXNW-HUUCEWRRSA-N 1 0 317.437 2.276 10 30 DEEERO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC1=O ZINC000329656820 404411251 /nfs/dbraw/zinc/41/12/51/404411251.db2.gz MQRLNSZLMYXUIS-UKRRQHHQSA-N 1 0 307.438 2.361 10 30 DEEERO C=CCn1c(CC2CC2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000351072345 404510377 /nfs/dbraw/zinc/51/03/77/404510377.db2.gz GUBCDBUEIIKOMQ-DZGCQCFKSA-N 1 0 301.438 2.090 10 30 DEEERO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330208819 404586972 /nfs/dbraw/zinc/58/69/72/404586972.db2.gz BIGAGOPBCCDWKU-APHBMKBZSA-N 1 0 318.421 2.081 10 30 DEEERO O=C(NCC[N@H+]1CC=CCC1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330080549 404545563 /nfs/dbraw/zinc/54/55/63/404545563.db2.gz JLNCDAWIKOONJT-JKSUJKDBSA-N 1 0 301.390 2.378 10 30 DEEERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CC12COC2 ZINC000451145817 404879192 /nfs/dbraw/zinc/87/91/92/404879192.db2.gz ZIKIXZIWURCVKY-BBRMVZONSA-N 1 0 314.385 2.131 10 30 DEEERO Cc1nsc(N2CC[NH+](C[C@@H]3CCO[C@H](C)C3)CC2)c1C#N ZINC000408212413 405141400 /nfs/dbraw/zinc/14/14/00/405141400.db2.gz WLWLFRFNVRFFMC-TZMCWYRMSA-N 1 0 320.462 2.260 10 30 DEEERO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000437766014 405219373 /nfs/dbraw/zinc/21/93/73/405219373.db2.gz UNMBWYPYTDJSCA-IAGOWNOFSA-N 1 0 323.481 2.389 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000361665406 405190240 /nfs/dbraw/zinc/19/02/40/405190240.db2.gz WRRZPFMPQVNROK-MRXNPFEDSA-N 1 0 300.402 2.448 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000425860290 405324944 /nfs/dbraw/zinc/32/49/44/405324944.db2.gz SVINWSDWOIVGJG-HOCLYGCPSA-N 1 0 309.454 2.189 10 30 DEEERO N#CCC[C@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000440241267 405307067 /nfs/dbraw/zinc/30/70/67/405307067.db2.gz MQYMNTMIOGLCIK-KRWDZBQOSA-N 1 0 323.400 2.260 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000420781283 405382672 /nfs/dbraw/zinc/38/26/72/405382672.db2.gz AWZQFLYQLMEFGD-HZPDHXFCSA-N 1 0 309.454 2.284 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000633208671 405503879 /nfs/dbraw/zinc/50/38/79/405503879.db2.gz MPYWGTSFKXLLQO-UHFFFAOYSA-N 1 0 324.513 2.304 10 30 DEEERO C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449364524 405525667 /nfs/dbraw/zinc/52/56/67/405525667.db2.gz RFJKFTMDCKTOOB-AEFFLSMTSA-N 1 0 302.418 2.156 10 30 DEEERO C=CCn1c(C)cc(C(=O)CN2CC[NH2+]C[C@H]2C(F)F)c1C ZINC000580196670 405606365 /nfs/dbraw/zinc/60/63/65/405606365.db2.gz XZOQUSVGJYCNOH-AWEZNQCLSA-N 1 0 311.376 2.013 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000580445159 405618564 /nfs/dbraw/zinc/61/85/64/405618564.db2.gz LEDCGWAXCGTOAF-ZIAGYGMSSA-N 1 0 303.324 2.135 10 30 DEEERO C=CCc1cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)cc(OC)c1O ZINC000449677744 405684844 /nfs/dbraw/zinc/68/48/44/405684844.db2.gz NVGMTHKQOCLPCY-CJNGLKHVSA-N 1 0 321.417 2.101 10 30 DEEERO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)n2C)C[N@@H+]1Cc1ccccc1 ZINC000450107410 405742061 /nfs/dbraw/zinc/74/20/61/405742061.db2.gz QTNDYAYVCIWKDB-GOEBONIOSA-N 1 0 322.412 2.290 10 30 DEEERO C=CCN(CC=C)[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C(C)C ZINC000494922991 405782740 /nfs/dbraw/zinc/78/27/40/405782740.db2.gz QAUORKOPCSIMLT-HOTGVXAUSA-N 1 0 307.482 2.332 10 30 DEEERO C[C@H](NC(=O)c1ccc(C#N)n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450520303 405940020 /nfs/dbraw/zinc/94/00/20/405940020.db2.gz UYLFFPIWSBBRCH-UONOGXRCSA-N 1 0 314.433 2.280 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000566140087 406085951 /nfs/dbraw/zinc/08/59/51/406085951.db2.gz OHLAYNCTWQMENZ-FZKCQIBNSA-N 1 0 309.454 2.140 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2cccnc2)C2CC2)CC1 ZINC000536155866 406252428 /nfs/dbraw/zinc/25/24/28/406252428.db2.gz QMARMQRIWXCNEK-QGZVFWFLSA-N 1 0 314.433 2.482 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000637620423 406368131 /nfs/dbraw/zinc/36/81/31/406368131.db2.gz CTPDOMVAMYXAPA-GASCZTMLSA-N 1 0 311.470 2.075 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000572737917 406731327 /nfs/dbraw/zinc/73/13/27/406731327.db2.gz SGEPLNVNWJFXLY-IYBDPMFKSA-N 1 0 315.417 2.287 10 30 DEEERO C#C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000491793492 406723647 /nfs/dbraw/zinc/72/36/47/406723647.db2.gz LSUDKUGKPBRTDF-UONOGXRCSA-N 1 0 321.218 2.334 10 30 DEEERO [NH2+]=C(NCCN1CCc2c(Cl)cccc2C1)NCC1CCC1 ZINC000189387479 225051118 /nfs/dbraw/zinc/05/11/18/225051118.db2.gz FNWPSDGTMYZVLM-UHFFFAOYSA-N 1 0 320.868 2.403 10 30 DEEERO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000193290038 225156356 /nfs/dbraw/zinc/15/63/56/225156356.db2.gz MBUYBDTURCQJJJ-HIFRSBDPSA-N 1 0 318.396 2.229 10 30 DEEERO [NH2+]=C(NCCc1cccs1)N[C@@H]1COc2ccc(F)cc21 ZINC000262390583 225269810 /nfs/dbraw/zinc/26/98/10/225269810.db2.gz MBMNTCWMXRPGPX-CYBMUJFWSA-N 1 0 305.378 2.468 10 30 DEEERO C[C@@H]1C[NH+]=C(NCCc2c[nH]c3ccc(Br)cc23)N1 ZINC000262662345 225280875 /nfs/dbraw/zinc/28/08/75/225280875.db2.gz NFDYJODKJJZXBX-SECBINFHSA-N 1 0 321.222 2.410 10 30 DEEERO COc1cccc(OC(F)(F)F)c1CNC1=[NH+]C[C@H](C)N1 ZINC000262656891 225280983 /nfs/dbraw/zinc/28/09/83/225280983.db2.gz LUWHNEAGSLMKDF-QMMMGPOBSA-N 1 0 303.284 2.031 10 30 DEEERO Cc1cc(C)cc(NC(=[NH2+])NCCC2CCS(=O)(=O)CC2)c1 ZINC000262673036 225282288 /nfs/dbraw/zinc/28/22/88/225282288.db2.gz RXCPVGXAUHJWIQ-UHFFFAOYSA-N 1 0 323.462 2.245 10 30 DEEERO CN(C)C(=[NH+]Cc1cn2cc(Br)ccc2n1)N(C)C ZINC000261984825 225260322 /nfs/dbraw/zinc/26/03/22/225260322.db2.gz JLYZYZUXMJFWDE-UHFFFAOYSA-N 1 0 324.226 2.076 10 30 DEEERO Cc1nnc(CNC(NC2CCC(C)(C)CC2)=[NH+]C2CC2)n1C ZINC000261984912 225260838 /nfs/dbraw/zinc/26/08/38/225260838.db2.gz PUHQTEZSKXHUQR-UHFFFAOYSA-N 1 0 318.469 2.290 10 30 DEEERO Cn1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C2CC2)n1 ZINC000329627787 225907643 /nfs/dbraw/zinc/90/76/43/225907643.db2.gz PMIBPOHWKHHOBI-ZFWWWQNUSA-N 1 0 317.437 2.259 10 30 DEEERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnc(C#N)c2)C1 ZINC000192855625 267212706 /nfs/dbraw/zinc/21/27/06/267212706.db2.gz IDKLVNZVWNGJEP-ZDUSSCGKSA-N 1 0 300.406 2.194 10 30 DEEERO COc1ccccc1[C@]1(C)C[C@H]1NC(=[NH2+])N1CCSCC1 ZINC000262524926 278063478 /nfs/dbraw/zinc/06/34/78/278063478.db2.gz KKPHZEQXWISOSH-ZBFHGGJFSA-N 1 0 305.447 2.089 10 30 DEEERO CC[NH+](CC)[C@H](CNC(=O)c1cc(C#N)cn1C)c1ccco1 ZINC000081726179 281606974 /nfs/dbraw/zinc/60/69/74/281606974.db2.gz XHNKHNBTTMHDGW-OAHLLOKOSA-N 1 0 314.389 2.303 10 30 DEEERO C[C@H](C[NH+]1CCCCC1)NC(=O)NCC1CCC(C#N)CC1 ZINC000441020643 289566116 /nfs/dbraw/zinc/56/61/16/289566116.db2.gz IKEBUEAEMCCSNB-QQFBHYJXSA-N 1 0 306.454 2.490 10 30 DEEERO C=CCc1cc([N+](=O)[O-])ccc1OCc1nc(C(C)(C)[NH3+])no1 ZINC000566183871 332025037 /nfs/dbraw/zinc/02/50/37/332025037.db2.gz JUGVDBFMIHDHPL-UHFFFAOYSA-N 1 0 318.333 2.479 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000570165826 332720147 /nfs/dbraw/zinc/72/01/47/332720147.db2.gz NWFBXORBGYCBPB-FPCVCCKLSA-N 1 0 309.454 2.282 10 30 DEEERO C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC(C)(C)C1 ZINC000174392855 333085699 /nfs/dbraw/zinc/08/56/99/333085699.db2.gz FKEJKGBGQKNNQM-FJOSAAFMSA-N 1 0 305.422 2.317 10 30 DEEERO Cc1ccc([C@@H](C)NC(NCC(=O)N(C)C)=[NH+]C(C)C)cc1F ZINC000185532872 335138125 /nfs/dbraw/zinc/13/81/25/335138125.db2.gz WIHFGRFPDCNUFJ-CYBMUJFWSA-N 1 0 322.428 2.227 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@H]2CCC[C@H](CC)C2)CC1 ZINC000346138035 335380237 /nfs/dbraw/zinc/38/02/37/335380237.db2.gz JSKPWOAMXSOYAZ-IRXDYDNUSA-N 1 0 307.482 2.123 10 30 DEEERO C=CCc1cc(C[NH2+]C2(CC(N)=O)CCC2)cc(OC)c1O ZINC000429999002 338093203 /nfs/dbraw/zinc/09/32/03/338093203.db2.gz HHIVFZNHXPREJY-UHFFFAOYSA-N 1 0 304.390 2.017 10 30 DEEERO C=CCOc1ccc(C[N@@H+](CCO)C2CCN(C)CC2)cc1 ZINC000305233076 340379080 /nfs/dbraw/zinc/37/90/80/340379080.db2.gz ZIWFMKWGSDEVOO-UHFFFAOYSA-N 1 0 304.434 2.140 10 30 DEEERO C=CC[NH+]1CCC(N[C@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000548056452 341245033 /nfs/dbraw/zinc/24/50/33/341245033.db2.gz VJPMOHYOUNSWDJ-KRWDZBQOSA-N 1 0 315.396 2.273 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@H](C)C2CCCCC2)CC1 ZINC000549342726 341291839 /nfs/dbraw/zinc/29/18/39/341291839.db2.gz PFYAJDABYHFIID-INIZCTEOSA-N 1 0 307.482 2.123 10 30 DEEERO C[C@H]1CN(C(=[NH2+])N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000262830585 533787815 /nfs/dbraw/zinc/78/78/15/533787815.db2.gz RKVBUCRZZCZMSJ-NURSFMCSSA-N 1 0 311.788 2.370 10 30 DEEERO COc1ccc(NC(=[NH2+])NCCc2nc(C)no2)cc1Cl ZINC000262026822 533989087 /nfs/dbraw/zinc/98/90/87/533989087.db2.gz ZSUGPOULKVSKCB-UHFFFAOYSA-N 1 0 309.757 2.009 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000247316485 519692613 /nfs/dbraw/zinc/69/26/13/519692613.db2.gz MGEYGVROALOQHY-YCPHGPKFSA-N 1 0 315.417 2.170 10 30 DEEERO C[NH+](C)CCN(CCCc1ccccc1)c1cnc(C#N)cn1 ZINC000126588779 521748661 /nfs/dbraw/zinc/74/86/61/521748661.db2.gz IUVHUMHFXNJNIZ-UHFFFAOYSA-N 1 0 309.417 2.349 10 30 DEEERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000249136819 523716694 /nfs/dbraw/zinc/71/66/94/523716694.db2.gz VOKYFWHEQMKESO-IUODEOHRSA-N 1 0 302.374 2.198 10 30 DEEERO C=CC[N@@H+](C[C@H]1CCN(S(C)(=O)=O)C1)CC1CCCCC1 ZINC000338320675 526330660 /nfs/dbraw/zinc/33/06/60/526330660.db2.gz YXQHTAZICAVIIU-MRXNPFEDSA-N 1 0 314.495 2.336 10 30 DEEERO C[NH+]=C(NCCN1CCC1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261986506 526356614 /nfs/dbraw/zinc/35/66/14/526356614.db2.gz QFCOICLJBKJWDG-OAHLLOKOSA-N 1 0 316.449 2.160 10 30 DEEERO C[NH+]=C(NCCN1CCc2sccc2C1)N[C@H](C)C(C)C ZINC000263258014 526359535 /nfs/dbraw/zinc/35/95/35/526359535.db2.gz RLNIQUQMMFDWST-CYBMUJFWSA-N 1 0 308.495 2.316 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)CO ZINC000295839898 526374971 /nfs/dbraw/zinc/37/49/71/526374971.db2.gz WTGXEIGZIVPFFB-MCIONIFRSA-N 1 0 310.463 2.258 10 30 DEEERO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@@H]1CCC[C@@H](C)C1 ZINC000262767464 526379457 /nfs/dbraw/zinc/37/94/57/526379457.db2.gz HUFOIZQCVLSVBC-IIAWOOMASA-N 1 0 312.527 2.167 10 30 DEEERO C[NH+]=C(NCc1ccnn1C)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262234964 526387631 /nfs/dbraw/zinc/38/76/31/526387631.db2.gz MWDLJUNXVHUBDR-RRFJBIMHSA-N 1 0 303.454 2.444 10 30 DEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000261694875 526395072 /nfs/dbraw/zinc/39/50/72/526395072.db2.gz ISKWISIWNJRABD-NUEKZKHPSA-N 1 0 309.454 2.020 10 30 DEEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N(C)Cc1ccc[nH]1 ZINC000261869827 526396029 /nfs/dbraw/zinc/39/60/29/526396029.db2.gz ZNPILPNEWCGKDY-XHSDSOJGSA-N 1 0 316.449 2.370 10 30 DEEERO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)C1=O ZINC000338215892 526508410 /nfs/dbraw/zinc/50/84/10/526508410.db2.gz ZLQMOLTXUNLHRI-KSWRQPAISA-N 1 0 306.450 2.035 10 30 DEEERO C=CCOCC[NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000378545023 526782106 /nfs/dbraw/zinc/78/21/06/526782106.db2.gz NAJALJZZGIWBCE-FUHWJXTLSA-N 1 0 304.434 2.068 10 30 DEEERO C=CCOc1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000418163759 526880841 /nfs/dbraw/zinc/88/08/41/526880841.db2.gz HSDGRKJZUGAXBN-CZUORRHYSA-N 1 0 303.406 2.049 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@H]2CCOc3c(C)cccc32)CC1 ZINC000189956302 526931897 /nfs/dbraw/zinc/93/18/97/526931897.db2.gz DFVBLXDCRIIYNO-KRWDZBQOSA-N 1 0 312.413 2.280 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417603252 526944866 /nfs/dbraw/zinc/94/48/66/526944866.db2.gz XJLGFHSDARMKSJ-ZFWWWQNUSA-N 1 0 303.406 2.049 10 30 DEEERO C#CCOc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249455152 527132905 /nfs/dbraw/zinc/13/29/05/527132905.db2.gz PMEYCBNRIDSWIO-CABCVRRESA-N 1 0 313.401 2.399 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000185223391 527194872 /nfs/dbraw/zinc/19/48/72/527194872.db2.gz PKSCYDGEGJGXSZ-MRXNPFEDSA-N 1 0 323.481 2.411 10 30 DEEERO C=CCn1c(COCC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000350792352 527322342 /nfs/dbraw/zinc/32/23/42/527322342.db2.gz LQZAQZNPKNOSLC-GJZGRUSLSA-N 1 0 321.469 2.167 10 30 DEEERO CC[NH+]=C(NC[C@@H](O)C(F)(F)F)NC1CCC(C)(C)CC1 ZINC000262810442 528809127 /nfs/dbraw/zinc/80/91/27/528809127.db2.gz UZTLZCBBJLSLEZ-LLVKDONJSA-N 1 0 309.376 2.434 10 30 DEEERO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2C[NH2+]C[C@@H](C=O)C2)CC1 ZINC000675059415 563910245 /nfs/dbraw/zinc/91/02/45/563910245.db2.gz HRRZJNZYIHDQOL-KKUMJFAQSA-N 1 0 310.438 2.448 10 30 DEEERO C[N@H+](CCCOc1ccc(C#N)cc1)CC(=O)NC(C)(C)C ZINC000051590187 624867837 /nfs/dbraw/zinc/86/78/37/624867837.db2.gz FNLSCTMSYYCZKA-UHFFFAOYSA-N 1 0 303.406 2.174 10 30 DEEERO CCC(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC000121454205 650117122 /nfs/dbraw/zinc/11/71/22/650117122.db2.gz PRUJZSCDKIGACP-HZPDHXFCSA-N 1 0 322.449 2.054 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccn(CC(F)F)n1 ZINC000192861009 637545751 /nfs/dbraw/zinc/54/57/51/637545751.db2.gz SSIKZTNGNJBTKW-GFCCVEGCSA-N 1 0 313.348 2.039 10 30 DEEERO C=CCOCC(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000741120650 637941513 /nfs/dbraw/zinc/94/15/13/637941513.db2.gz JNRSIIIIYRLIEM-MAUKXSAKSA-N 1 0 319.401 2.434 10 30 DEEERO COc1ccc(CNC(=O)CCCC[NH+]2CCCC2)cc1C#N ZINC000747443262 638437678 /nfs/dbraw/zinc/43/76/78/638437678.db2.gz DHOHZZPGCMFNFB-UHFFFAOYSA-N 1 0 315.417 2.449 10 30 DEEERO COc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1C#N ZINC000747446646 638438667 /nfs/dbraw/zinc/43/86/67/638438667.db2.gz DIMSJHLNRNEVOZ-UHFFFAOYSA-N 1 0 315.417 2.303 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])NC2CCCCCC2)[C@H]1n1cccn1 ZINC000263188992 640112552 /nfs/dbraw/zinc/11/25/52/640112552.db2.gz VHSPGKSSJILSIX-BZUAXINKSA-N 1 0 319.453 2.229 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000805187628 640123846 /nfs/dbraw/zinc/12/38/46/640123846.db2.gz RMYZWAVULCEQTC-JQHSSLGASA-N 1 0 313.445 2.403 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]CCc3ccc4c(c3)CCO4)n2c1 ZINC000237852266 640706131 /nfs/dbraw/zinc/70/61/31/640706131.db2.gz BOYZCOWHQWLVOJ-UHFFFAOYSA-N 1 0 318.380 2.473 10 30 DEEERO Cn1ccnc1[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000858008415 652236137 /nfs/dbraw/zinc/23/61/37/652236137.db2.gz PSLSHQGLZFGUEF-SWLSCSKDSA-N 1 0 300.362 2.142 10 30 DEEERO COc1cc(CCNC(=[NH2+])NCCc2cccs2)ccc1O ZINC000304748019 685258875 /nfs/dbraw/zinc/25/88/75/685258875.db2.gz GXDVXFBLXXHPQD-UHFFFAOYSA-N 1 0 319.430 2.152 10 30 DEEERO CC(C)c1cccc(NC(=[NH2+])NCC(=O)NCc2ccco2)c1 ZINC000104157867 684058701 /nfs/dbraw/zinc/05/87/01/684058701.db2.gz SUGLUTCTAPBIBW-UHFFFAOYSA-N 1 0 314.389 2.446 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NC[C@@]1(O)CCc2ccccc21 ZINC000130933391 684194186 /nfs/dbraw/zinc/19/41/86/684194186.db2.gz YZVYFHVHJVTEBT-KRWDZBQOSA-N 1 0 315.442 2.029 10 30 DEEERO C=C(Br)CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246359782 685128703 /nfs/dbraw/zinc/12/87/03/685128703.db2.gz GMXLTMFSCDAWSZ-CMPLNLGQSA-N 1 0 318.259 2.267 10 30 DEEERO C=CCc1cc(OC)cc(CN2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000247110757 685142419 /nfs/dbraw/zinc/14/24/19/685142419.db2.gz WPHKUBNUALJFSN-INIZCTEOSA-N 1 0 302.418 2.409 10 30 DEEERO COc1ccc(CNC(=[NH2+])NCCc2cccs2)c(OC)c1 ZINC000303785763 685235706 /nfs/dbraw/zinc/23/57/06/685235706.db2.gz QUFKULCTAUJXRX-UHFFFAOYSA-N 1 0 319.430 2.412 10 30 DEEERO [NH2+]=C(NCCCNC(=O)c1ccccc1)NC1CCCCC1 ZINC000303988947 685242185 /nfs/dbraw/zinc/24/21/85/685242185.db2.gz XAGPRVBBNNDGRU-UHFFFAOYSA-N 1 0 302.422 2.044 10 30 DEEERO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N+]12CCN(CC1)CC2 ZINC000029225961 717117450 /nfs/dbraw/zinc/11/74/50/717117450.db2.gz SYMQYRPZTUZINB-CYBMUJFWSA-O 1 0 308.833 2.121 10 30 DEEERO C[C@@](O)(C[NH2+]CCCOC(F)F)C(F)(F)C(F)(F)F ZINC000724046832 777230418 /nfs/dbraw/zinc/23/04/18/777230418.db2.gz GFVJJCANMXBKNN-SSDOTTSWSA-N 1 0 301.202 2.154 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H](C)Cn2cncn2)cc1OC ZINC000067505095 1079893900 /nfs/dbraw/zinc/89/39/00/1079893900.db2.gz WCUCKMAFWVSNTB-ZDUSSCGKSA-N 1 0 302.378 2.030 10 30 DEEERO C[C@@]12CN(c3cncc(C#N)n3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702372753 1086425929 /nfs/dbraw/zinc/42/59/29/1086425929.db2.gz YBOBKPJIYVTCAP-QFBILLFUSA-N 1 0 319.412 2.307 10 30 DEEERO C#CCC(CC#C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000278563188 214239526 /nfs/dbraw/zinc/23/95/26/214239526.db2.gz IAHQRDFMGYABMF-UHFFFAOYSA-N 1 0 323.440 2.348 10 30 DEEERO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000613040320 361988102 /nfs/dbraw/zinc/98/81/02/361988102.db2.gz VZTWXDVDJJXNED-QGZVFWFLSA-N 1 0 317.433 2.466 10 30 DEEERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)C1 ZINC000329070176 282216281 /nfs/dbraw/zinc/21/62/81/282216281.db2.gz NDFVKJNSOCVJDI-BYNSBNAKSA-N 1 0 322.453 2.214 10 30 DEEERO Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000328936901 282216296 /nfs/dbraw/zinc/21/62/96/282216296.db2.gz CSYYWYQCBFVMFD-DSJMHWKBSA-N 1 0 320.437 2.327 10 30 DEEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090590655 185305493 /nfs/dbraw/zinc/30/54/93/185305493.db2.gz LWTKGJFJCHZYEK-RISCZKNCSA-N 1 0 314.838 2.280 10 30 DEEERO CN1CC[NH+]=C1NCc1c(F)cc(Br)cc1F ZINC000262679501 529778986 /nfs/dbraw/zinc/77/89/86/529778986.db2.gz VMEZMSQHFXLZJP-UHFFFAOYSA-N 1 0 304.138 2.118 10 30 DEEERO CN1C(=O)C[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1ccccc1 ZINC000262304662 530044751 /nfs/dbraw/zinc/04/47/51/530044751.db2.gz ACGNZTMLFHVXLK-YOEHRIQHSA-N 1 0 323.400 2.028 10 30 DEEERO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cccc(C#N)c1F ZINC000615634056 362665296 /nfs/dbraw/zinc/66/52/96/362665296.db2.gz VAFLUBUNODIUFX-BJJXKVORSA-N 1 0 302.349 2.471 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000625701340 365875373 /nfs/dbraw/zinc/87/53/73/365875373.db2.gz JFQOEZDJXARJHC-INIZCTEOSA-N 1 0 322.474 2.346 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@H](O)COCc2cccc(OC)c2)C1 ZINC000625704574 365876635 /nfs/dbraw/zinc/87/66/35/365876635.db2.gz VBUVEMPOQUWVHG-RDJZCZTQSA-N 1 0 305.418 2.471 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)C(C)=O)C1 ZINC000625701109 365874412 /nfs/dbraw/zinc/87/44/12/365874412.db2.gz NAZJAAZWGVBSCM-ZWKOTPCHSA-N 1 0 314.429 2.201 10 30 DEEERO CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H](C)C#N)CC1 ZINC000084059704 192397644 /nfs/dbraw/zinc/39/76/44/192397644.db2.gz HGFUBXYVFSQADD-CQSZACIVSA-N 1 0 315.421 2.110 10 30 DEEERO C[C@H]1SCCN(C(=O)c2cc(C#CC[NH3+])ccc2F)[C@@H]1C ZINC000133676518 186005899 /nfs/dbraw/zinc/00/58/99/186005899.db2.gz JCBJTLYAHLKEHU-VXGBXAGGSA-N 1 0 306.406 2.102 10 30 DEEERO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1C#N ZINC000150304068 186056881 /nfs/dbraw/zinc/05/68/81/186056881.db2.gz BFIYPBVUMRHZQP-GFCCVEGCSA-N 1 0 315.826 2.007 10 30 DEEERO C=CCC[C@H](CN(C)CC[NH+](C)C)Oc1cc(C#N)ccn1 ZINC000072432213 191165022 /nfs/dbraw/zinc/16/50/22/191165022.db2.gz OCHSDXQHRCUHET-MRXNPFEDSA-N 1 0 302.422 2.160 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000321030193 539897985 /nfs/dbraw/zinc/89/79/85/539897985.db2.gz QCDPCXXSIJZENZ-RYUDHWBXSA-N 1 0 320.216 2.260 10 30 DEEERO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cncc(F)c1 ZINC000329263052 539916129 /nfs/dbraw/zinc/91/61/29/539916129.db2.gz BOZGFWOBGVVXAO-GFCCVEGCSA-N 1 0 320.412 2.455 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000050024955 354366343 /nfs/dbraw/zinc/36/63/43/354366343.db2.gz QCYNINYUZJEMTF-LBPRGKRZSA-N 1 0 306.356 2.487 10 30 DEEERO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000052588679 354408266 /nfs/dbraw/zinc/40/82/66/354408266.db2.gz CVAJFXDWEAFOCQ-INIZCTEOSA-N 1 0 317.433 2.487 10 30 DEEERO C=CCCCN(C)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000081421768 355426877 /nfs/dbraw/zinc/42/68/77/355426877.db2.gz WJJAZPGAYQVYIG-UHFFFAOYSA-N 1 0 315.461 2.472 10 30 DEEERO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)[C@@H](C)O ZINC000445589583 540185023 /nfs/dbraw/zinc/18/50/23/540185023.db2.gz UJURWGSUVLHIJW-ZIAGYGMSSA-N 1 0 324.494 2.354 10 30 DEEERO C#CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000092105475 355618532 /nfs/dbraw/zinc/61/85/32/355618532.db2.gz PFAGMTXJXYXPAH-SJLPKXTDSA-N 1 0 312.413 2.189 10 30 DEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000595602073 358497923 /nfs/dbraw/zinc/49/79/23/358497923.db2.gz HELHBFVVJOSFHV-UKRRQHHQSA-N 1 0 305.378 2.481 10 30 DEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000595603209 358497782 /nfs/dbraw/zinc/49/77/82/358497782.db2.gz KZPLSVLLVLBASW-FMKPAKJESA-N 1 0 310.438 2.025 10 30 DEEERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000180134691 356043493 /nfs/dbraw/zinc/04/34/93/356043493.db2.gz PVPJDIGELMUHHW-RDJZCZTQSA-N 1 0 306.369 2.128 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182282461 356119038 /nfs/dbraw/zinc/11/90/38/356119038.db2.gz IRMHJVQJKDTIFV-CYBMUJFWSA-N 1 0 304.390 2.491 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000182822794 356147146 /nfs/dbraw/zinc/14/71/46/356147146.db2.gz UQDGAYLNXAFVFA-KRWDZBQOSA-N 1 0 319.449 2.265 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000081665816 192309223 /nfs/dbraw/zinc/30/92/23/192309223.db2.gz GISBDYUPGCMFTG-INIZCTEOSA-N 1 0 302.422 2.137 10 30 DEEERO CC[NH+](CC)[C@H](CNC(=O)c1cc(C#N)cn1C)CC(C)C ZINC000081758251 192320360 /nfs/dbraw/zinc/32/03/60/192320360.db2.gz PMQIOAOZVLVOJG-HNNXBMFYSA-N 1 0 304.438 2.383 10 30 DEEERO C=CCOCCCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618525149 363515490 /nfs/dbraw/zinc/51/54/90/363515490.db2.gz BPXIUJSDYOBNRH-QGZVFWFLSA-N 1 0 302.418 2.217 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CC)c1csc(C)c1 ZINC000592188384 357848245 /nfs/dbraw/zinc/84/82/45/357848245.db2.gz OKZRMRVZYTTXHS-DGCLKSJQSA-N 1 0 309.435 2.498 10 30 DEEERO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCO1 ZINC000193125322 299274698 /nfs/dbraw/zinc/27/46/98/299274698.db2.gz IKGZPTPDXPYKON-GOEBONIOSA-N 1 0 301.390 2.090 10 30 DEEERO N#CCCCC[C@H]([NH3+])C(=O)NCc1cccc(Br)c1 ZINC000594426394 358266315 /nfs/dbraw/zinc/26/63/15/358266315.db2.gz CLHMSWNLOQFGNQ-ZDUSSCGKSA-N 1 0 324.222 2.477 10 30 DEEERO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2cccnc2C#N)C1 ZINC000596552161 358711336 /nfs/dbraw/zinc/71/13/36/358711336.db2.gz RVHCPACQHPQWKP-KRWDZBQOSA-N 1 0 321.428 2.181 10 30 DEEERO C=CC[N@@H+](CCc1ccccc1)Cc1cnc(C(=O)OC)cn1 ZINC000599281476 359448638 /nfs/dbraw/zinc/44/86/38/359448638.db2.gz DULOGPKASMNGPL-UHFFFAOYSA-N 1 0 311.385 2.494 10 30 DEEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000186713748 199995924 /nfs/dbraw/zinc/99/59/24/199995924.db2.gz ZMTOBBDJEOULJW-DOMZBBRYSA-N 1 0 312.435 2.036 10 30 DEEERO CC[C@H](CO)[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000187091360 200060535 /nfs/dbraw/zinc/06/05/35/200060535.db2.gz SQPMFFQAZFQDMP-MRXNPFEDSA-N 1 0 307.825 2.100 10 30 DEEERO N#C[C@@H]1CCCC[C@@H]1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602887009 360609906 /nfs/dbraw/zinc/60/99/06/360609906.db2.gz TZKDIMLJQNCNEW-GBESFXJTSA-N 1 0 313.445 2.295 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3nccn3c2)CC1 ZINC000606582728 361022700 /nfs/dbraw/zinc/02/27/00/361022700.db2.gz AURKVYMNCYMNCW-UHFFFAOYSA-N 1 0 313.405 2.496 10 30 DEEERO C[C@H]1CCC[C@](CNC(=O)c2ccnc(C#N)c2)([NH+](C)C)C1 ZINC000192837054 200949914 /nfs/dbraw/zinc/94/99/14/200949914.db2.gz TXIRUAUDZPURJZ-GUYCJALGSA-N 1 0 300.406 2.194 10 30 DEEERO CC(C)[N@@H+]1CCCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000609252509 361291458 /nfs/dbraw/zinc/29/14/58/361291458.db2.gz GGQKZPVIXLQTHK-UHFFFAOYSA-N 1 0 318.396 2.323 10 30 DEEERO CC[NH+]1CCC(CNC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000609252717 361291965 /nfs/dbraw/zinc/29/19/65/361291965.db2.gz IXCLKWFDPOQHCO-UHFFFAOYSA-N 1 0 318.396 2.228 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628125653 366729984 /nfs/dbraw/zinc/72/99/84/366729984.db2.gz ITUFNSRMAUWHRF-KRWDZBQOSA-N 1 0 315.461 2.018 10 30 DEEERO C=C[C@@](C)(O)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000611799507 361685030 /nfs/dbraw/zinc/68/50/30/361685030.db2.gz PJAPKFRRZGMTCM-MAUKXSAKSA-N 1 0 302.418 2.046 10 30 DEEERO C=CCCC(C)(C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000620861752 364180393 /nfs/dbraw/zinc/18/03/93/364180393.db2.gz YAMMVKLCISWRGA-UHFFFAOYSA-N 1 0 316.449 2.308 10 30 DEEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000622180604 364691620 /nfs/dbraw/zinc/69/16/20/364691620.db2.gz QMIGEWXMZAZFNS-BBWFWOEESA-N 1 0 306.450 2.489 10 30 DEEERO C=C(C)Cn1c(-c2ccncc2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000623166196 364905362 /nfs/dbraw/zinc/90/53/62/364905362.db2.gz OOKHGXPXDWGKRK-UHFFFAOYSA-N 1 0 324.432 2.201 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000623628525 365107157 /nfs/dbraw/zinc/10/71/57/365107157.db2.gz PJWJVANGEXCWNV-OAHLLOKOSA-N 1 0 323.481 2.389 10 30 DEEERO [NH3+]CC#Cc1cnccc1C(=O)Nc1ccc(Cl)cc1F ZINC000091462219 193059598 /nfs/dbraw/zinc/05/95/98/193059598.db2.gz DCNLCTGGHVVCNE-UHFFFAOYSA-N 1 0 303.724 2.437 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(C[C@H](c2ccco2)[NH+]2CCCC2)C1=O ZINC000630964188 367939231 /nfs/dbraw/zinc/93/92/31/367939231.db2.gz FSUMMVILMUAIHP-ZIAGYGMSSA-N 1 0 317.389 2.303 10 30 DEEERO C=CCN1C(N)=[NH+]C[C@@]12CCc1cc(Br)ccc1C2 ZINC000093375173 193240370 /nfs/dbraw/zinc/24/03/70/193240370.db2.gz HJLGIISXJQHPCI-HNNXBMFYSA-N 1 0 320.234 2.493 10 30 DEEERO CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000093874114 193321896 /nfs/dbraw/zinc/32/18/96/193321896.db2.gz LSNOERILSQCWAK-UHFFFAOYSA-N 1 0 308.813 2.067 10 30 DEEERO CN(Cc1ccc(F)cc1)C(=O)c1csc(C#CC[NH3+])c1 ZINC000093975949 193332654 /nfs/dbraw/zinc/33/26/54/193332654.db2.gz HUUDPZIUIRKEOI-UHFFFAOYSA-N 1 0 302.374 2.470 10 30 DEEERO COc1ccccc1N(C)C(=O)c1csc(C#CC[NH3+])c1 ZINC000093976313 193333240 /nfs/dbraw/zinc/33/32/40/193333240.db2.gz SLQKRECTCNGFDH-UHFFFAOYSA-N 1 0 300.383 2.344 10 30 DEEERO Cc1cc(C(=O)N[C@H](C)c2nccs2)sc1C#CC[NH3+] ZINC000094536898 193378008 /nfs/dbraw/zinc/37/80/08/193378008.db2.gz NLAHVXVGBSAFCV-SNVBAGLBSA-N 1 0 305.428 2.314 10 30 DEEERO CC[C@H]1CO[C@H](C)CN1C(=O)c1cc(C)c(C#CC[NH3+])s1 ZINC000094536389 193378181 /nfs/dbraw/zinc/37/81/81/193378181.db2.gz RIUTVNFPWGOTEE-OLZOCXBDSA-N 1 0 306.431 2.006 10 30 DEEERO Cc1cc(C(=O)N2C[C@H](C)S[C@@H](C)C2)sc1C#CC[NH3+] ZINC000094536878 193378451 /nfs/dbraw/zinc/37/84/51/193378451.db2.gz BBKHSOYSSOUGSB-RYUDHWBXSA-N 1 0 308.472 2.333 10 30 DEEERO C[C@@H](O)C[N@@H+]1CCN(CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000159911905 197372697 /nfs/dbraw/zinc/37/26/97/197372697.db2.gz IUGOTUYUFUXSGY-HUUCEWRRSA-N 1 0 306.837 2.078 10 30 DEEERO C[C@@H](C[N@H+](C)Cc1ccc(F)c(Br)c1)/C(N)=N/O ZINC000042458049 183272968 /nfs/dbraw/zinc/27/29/68/183272968.db2.gz SLPYNAKNSGXYMK-QMMMGPOBSA-N 1 0 318.190 2.403 10 30 DEEERO CCN(CC(F)(F)F)C(=O)c1ccc(C#CC[NH3+])cc1F ZINC000042797843 183310862 /nfs/dbraw/zinc/31/08/62/183310862.db2.gz HIQUZKDMDYLVHP-UHFFFAOYSA-N 1 0 302.271 2.160 10 30 DEEERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(CC#N)CC#N ZINC000043090965 183335709 /nfs/dbraw/zinc/33/57/09/183335709.db2.gz BZQXMQNQKDEENB-MFKMUULPSA-N 1 0 307.195 2.187 10 30 DEEERO CC[C@@H]1CN(Cc2ccc(C#N)cc2F)CC[N@@H+]1CCOC ZINC000106114741 194187693 /nfs/dbraw/zinc/18/76/93/194187693.db2.gz OBXPBHULSBYHFC-MRXNPFEDSA-N 1 0 305.397 2.240 10 30 DEEERO C[C@@H]([NH3+])c1ccc(-n2cnc(C#N)c2C#N)c(Br)c1 ZINC000156218694 197096678 /nfs/dbraw/zinc/09/66/78/197096678.db2.gz LCQWSJQHYVLJAL-MRVPVSSYSA-N 1 0 316.162 2.398 10 30 DEEERO C=C(C)C[N@@H+](CC)CC(=O)NCCN1CCc2ccccc21 ZINC000154873737 197000419 /nfs/dbraw/zinc/00/04/19/197000419.db2.gz YOFLRYVCSYLPTE-UHFFFAOYSA-N 1 0 301.434 2.063 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000175336787 285239110 /nfs/dbraw/zinc/23/91/10/285239110.db2.gz RDUUMNWSYCTBOU-MRXNPFEDSA-N 1 0 320.481 2.087 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC2(O)CCCCCC2)C1 ZINC000330242238 285261959 /nfs/dbraw/zinc/26/19/59/285261959.db2.gz JHBXIPLYWNZPRT-HNNXBMFYSA-N 1 0 311.470 2.402 10 30 DEEERO C=CCOc1cccc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000120601936 195200303 /nfs/dbraw/zinc/20/03/03/195200303.db2.gz RDFBAXMEWIWGOX-JKSUJKDBSA-N 1 0 304.434 2.138 10 30 DEEERO C=CCO[C@@H]1CC[N@@H+](C2CCOCC2)[C@@H]1Cc1cccnc1 ZINC000253373397 257106622 /nfs/dbraw/zinc/10/66/22/257106622.db2.gz IRRJIHWZZOKQEX-QZTJIDSGSA-N 1 0 302.418 2.449 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193807921 145090270 /nfs/dbraw/zinc/09/02/70/145090270.db2.gz OBBWJRWJVDIIOG-INIZCTEOSA-N 1 0 322.412 2.149 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)cc1C#N ZINC000246133479 145093757 /nfs/dbraw/zinc/09/37/57/145093757.db2.gz RCMNWMPCBNNBHL-RISCZKNCSA-N 1 0 302.353 2.398 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccccc1C#N ZINC000247076181 145126098 /nfs/dbraw/zinc/12/60/98/145126098.db2.gz YVBWMOMFSDOANI-HOTGVXAUSA-N 1 0 313.401 2.022 10 30 DEEERO CC[N@@H+]1CC[C@H](Nc2cnn(-c3ncccc3C#N)c2)[C@@H](C)C1 ZINC000248404167 145153071 /nfs/dbraw/zinc/15/30/71/145153071.db2.gz ZYNFGLCFQZDDCX-BBRMVZONSA-N 1 0 310.405 2.281 10 30 DEEERO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000249627776 145188171 /nfs/dbraw/zinc/18/81/71/145188171.db2.gz QSEWQCCYIXALMP-HNAYVOBHSA-N 1 0 323.444 2.292 10 30 DEEERO Cn1nccc1C1=CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000370592136 148034144 /nfs/dbraw/zinc/03/41/44/148034144.db2.gz DUIFHMQOENFYRU-GOSISDBHSA-N 1 0 308.385 2.114 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000073882617 401723990 /nfs/dbraw/zinc/72/39/90/401723990.db2.gz LSORFAFVGRVHCF-GHMZBOCLSA-N 1 0 309.797 2.391 10 30 DEEERO Cn1ccnc1CC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000127467832 401736660 /nfs/dbraw/zinc/73/66/60/401736660.db2.gz OXOOPDQAEDXYCH-SFHVURJKSA-N 1 0 324.428 2.280 10 30 DEEERO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)C[C@@H]1CCCO1 ZINC000076298094 401789037 /nfs/dbraw/zinc/78/90/37/401789037.db2.gz ASQKNQVHEUOIMI-LPMVOBIJSA-N 1 0 321.465 2.417 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115443356 401828549 /nfs/dbraw/zinc/82/85/49/401828549.db2.gz PVTYBLXAESPGGX-GJZGRUSLSA-N 1 0 315.417 2.126 10 30 DEEERO C=CCNC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115557936 401831821 /nfs/dbraw/zinc/83/18/21/401831821.db2.gz AQEGLACYKZEGDB-ZDUSSCGKSA-N 1 0 306.381 2.360 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000089102107 401935189 /nfs/dbraw/zinc/93/51/89/401935189.db2.gz QIKFYCPZKJEMQB-IRXDYDNUSA-N 1 0 307.482 2.123 10 30 DEEERO C=CCC[C@@H](O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000121360864 402030926 /nfs/dbraw/zinc/03/09/26/402030926.db2.gz ZHHQLKUQJBXGLE-OAHLLOKOSA-N 1 0 300.406 2.236 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1OC ZINC000092588742 402006185 /nfs/dbraw/zinc/00/61/85/402006185.db2.gz FXJLBRICYFCGHM-OAHLLOKOSA-N 1 0 318.417 2.490 10 30 DEEERO CC(=O)Nc1cccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000123294241 402120576 /nfs/dbraw/zinc/12/05/76/402120576.db2.gz UAUBFVYTHJVQLL-UHFFFAOYSA-N 1 0 319.368 2.454 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123791696 402146289 /nfs/dbraw/zinc/14/62/89/402146289.db2.gz PPCNCDRNTOGRFN-ZBFHGGJFSA-N 1 0 317.433 2.360 10 30 DEEERO N#Cc1ccsc1NC(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000104079512 402197806 /nfs/dbraw/zinc/19/78/06/402197806.db2.gz REZQFLGCTAZNHX-UHFFFAOYSA-N 1 0 318.446 2.118 10 30 DEEERO C[C@@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2sccc2C#N)C1 ZINC000187983657 402514106 /nfs/dbraw/zinc/51/41/06/402514106.db2.gz IFYVAAGGRVOPHV-MLGOLLRUSA-N 1 0 321.446 2.431 10 30 DEEERO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000248055828 402581555 /nfs/dbraw/zinc/58/15/55/402581555.db2.gz XHTGQRQAUKPYGI-KSZLIROESA-N 1 0 300.402 2.219 10 30 DEEERO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000180094914 402607101 /nfs/dbraw/zinc/60/71/01/402607101.db2.gz UTHVHTSEBHYRRZ-STQMWFEESA-N 1 0 302.378 2.145 10 30 DEEERO C[C@@H](NC(=O)c1cc(C#N)cn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180864613 402628077 /nfs/dbraw/zinc/62/80/77/402628077.db2.gz FFLGSHZQVCZYSR-UKRRQHHQSA-N 1 0 314.433 2.280 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@H]2COc3ccccc32)CC1 ZINC000171728423 402615601 /nfs/dbraw/zinc/61/56/01/402615601.db2.gz ZJKIDUJBMLDPHQ-HNNXBMFYSA-N 1 0 301.390 2.070 10 30 DEEERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000182920877 402727355 /nfs/dbraw/zinc/72/73/55/402727355.db2.gz WPXDYSIPGGCQFF-DYVFJYSZSA-N 1 0 309.369 2.208 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000182871745 402723219 /nfs/dbraw/zinc/72/32/19/402723219.db2.gz HABUVMZAFNHSAQ-QGZVFWFLSA-N 1 0 319.449 2.265 10 30 DEEERO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](CCC)CC1 ZINC000282290211 403140591 /nfs/dbraw/zinc/14/05/91/403140591.db2.gz NTPVHAVEYWQTPI-UHFFFAOYSA-N 1 0 312.421 2.058 10 30 DEEERO N#Cc1ccnc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000283778366 403222775 /nfs/dbraw/zinc/22/27/75/403222775.db2.gz SLRZZBZZUIMNAO-WMLDXEAASA-N 1 0 310.401 2.042 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NCCCn1ccnc1 ZINC000285039020 403277306 /nfs/dbraw/zinc/27/73/06/403277306.db2.gz KJCNWLIFBVKTFH-QGZVFWFLSA-N 1 0 310.401 2.207 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000286988604 403551389 /nfs/dbraw/zinc/55/13/89/403551389.db2.gz JTFOCBJWKUKAOP-RDJZCZTQSA-N 1 0 313.445 2.403 10 30 DEEERO N#Cc1cc(F)c(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000301713939 403668637 /nfs/dbraw/zinc/66/86/37/403668637.db2.gz IZWRDMOVZDEKRA-UONOGXRCSA-N 1 0 321.371 2.262 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)c1ccc(C#N)nn1 ZINC000301946766 403703643 /nfs/dbraw/zinc/70/36/43/403703643.db2.gz HFXQWBPKIRMUSN-QGZVFWFLSA-N 1 0 322.416 2.234 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1cc[nH]n1)C(C)C ZINC000351725709 403881650 /nfs/dbraw/zinc/88/16/50/403881650.db2.gz UITTXQYSPSVUQG-MRXNPFEDSA-N 1 0 319.453 2.250 10 30 DEEERO C=CCCC[C@@H](C)[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411833977 403985460 /nfs/dbraw/zinc/98/54/60/403985460.db2.gz LWNYSPQBLSNQCR-CQSZACIVSA-N 1 0 300.468 2.231 10 30 DEEERO CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@@H]1CCNC1=O ZINC000328818813 404155252 /nfs/dbraw/zinc/15/52/52/404155252.db2.gz HWGSNZOKRVDMFO-ZNMIVQPWSA-N 1 0 316.405 2.006 10 30 DEEERO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000329439615 404336854 /nfs/dbraw/zinc/33/68/54/404336854.db2.gz JRBFGYFXXBONMG-CWRNSKLLSA-N 1 0 320.437 2.329 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000329374748 404317709 /nfs/dbraw/zinc/31/77/09/404317709.db2.gz KMCYWTNMRZBPJW-OCCSQVGLSA-N 1 0 317.389 2.172 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cn(C)nc1C1CC1 ZINC000329616634 404394474 /nfs/dbraw/zinc/39/44/74/404394474.db2.gz LMBICGPWAHSWBD-KGLIPLIRSA-N 1 0 317.437 2.402 10 30 DEEERO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cn(C)nc2C2CC2)C[C@H]1C ZINC000329633235 404401990 /nfs/dbraw/zinc/40/19/90/404401990.db2.gz SINMKYPWCNTKGZ-VXGBXAGGSA-N 1 0 305.426 2.258 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000297057765 404431810 /nfs/dbraw/zinc/43/18/10/404431810.db2.gz YFXYWJCCMWKAIV-UHFFFAOYSA-N 1 0 320.396 2.095 10 30 DEEERO CC1(C#N)CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000364703954 404510111 /nfs/dbraw/zinc/51/01/11/404510111.db2.gz RPSQUPZKPUMVGK-UHFFFAOYSA-N 1 0 319.449 2.174 10 30 DEEERO Cn1cc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(C2CC2)n1 ZINC000329840597 404466589 /nfs/dbraw/zinc/46/65/89/404466589.db2.gz WJYOJDCTERAFKX-AWEZNQCLSA-N 1 0 317.437 2.403 10 30 DEEERO CC(C)c1nc([C@@H]2CCCN2C(=O)NC[C@@H]2CCC[N@@H+]2C)no1 ZINC000330264540 404607356 /nfs/dbraw/zinc/60/73/56/404607356.db2.gz YBLRINTZGHELEN-STQMWFEESA-N 1 0 321.425 2.338 10 30 DEEERO C=CCCCCNC(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415101674 404808536 /nfs/dbraw/zinc/80/85/36/404808536.db2.gz NZAHTIFXIIRAMU-UHFFFAOYSA-N 1 0 303.406 2.207 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451142436 404879032 /nfs/dbraw/zinc/87/90/32/404879032.db2.gz CINYZNVSUZYWFX-UHFFFAOYSA-N 1 0 308.466 2.428 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000415349466 404851804 /nfs/dbraw/zinc/85/18/04/404851804.db2.gz DFGCZEBDSOVBJW-AWEZNQCLSA-N 1 0 315.417 2.037 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423973333 404954938 /nfs/dbraw/zinc/95/49/38/404954938.db2.gz ADTXCMZUUGVZJD-FZKQIMNGSA-N 1 0 318.417 2.317 10 30 DEEERO C#Cc1ccc(C[N@H+]2C[C@H](OC)C[C@H]2CC(=O)OCC)cc1 ZINC000367297871 405001500 /nfs/dbraw/zinc/00/15/00/405001500.db2.gz AKDLACZAKJGLQV-DLBZAZTESA-N 1 0 301.386 2.210 10 30 DEEERO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](CC)CC1 ZINC000424118395 405013385 /nfs/dbraw/zinc/01/33/85/405013385.db2.gz CJQGMZFJXYXVOV-ZDUSSCGKSA-N 1 0 307.467 2.174 10 30 DEEERO C=CCc1cc(CN2CC[NH+]3CCC2CC3)cc(OC)c1O ZINC000367665305 405118910 /nfs/dbraw/zinc/11/89/10/405118910.db2.gz KWKPBEPBGKOSBX-UHFFFAOYSA-N 1 0 302.418 2.409 10 30 DEEERO C=CCC1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCOCC1 ZINC000424738327 405164324 /nfs/dbraw/zinc/16/43/24/405164324.db2.gz OWYFORXNEYMZKH-CVEARBPZSA-N 1 0 306.450 2.302 10 30 DEEERO C=CCC1(C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)CCCC1 ZINC000452448443 405206900 /nfs/dbraw/zinc/20/69/00/405206900.db2.gz VACOURNYBDRYOS-JKSUJKDBSA-N 1 0 306.450 2.445 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000425412136 405286629 /nfs/dbraw/zinc/28/66/29/405286629.db2.gz FNCAQILGYKSXQP-ULQDDVLXSA-N 1 0 323.481 2.389 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000438849030 405255882 /nfs/dbraw/zinc/25/58/82/405255882.db2.gz JDLNUSASPJHGEF-CVEARBPZSA-N 1 0 321.465 2.095 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000448623436 405429037 /nfs/dbraw/zinc/42/90/37/405429037.db2.gz QRFVXMFLXXSKRN-UHFFFAOYSA-N 1 0 322.412 2.245 10 30 DEEERO C=CCNC(=O)c1ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)nc1 ZINC000528212344 405532642 /nfs/dbraw/zinc/53/26/42/405532642.db2.gz WJDZORHASCUMLU-MRXNPFEDSA-N 1 0 314.433 2.426 10 30 DEEERO C=CCCC(C)(C)CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000638866200 405727575 /nfs/dbraw/zinc/72/75/75/405727575.db2.gz PLEOTVIZIIKNRN-AWEZNQCLSA-N 1 0 319.453 2.315 10 30 DEEERO C=CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000636168879 405787747 /nfs/dbraw/zinc/78/77/47/405787747.db2.gz DOWDUHUAZOIMJJ-PKOBYXMFSA-N 1 0 314.429 2.217 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000450277645 405812279 /nfs/dbraw/zinc/81/22/79/405812279.db2.gz PPQHJGATPIBVAS-WCXIOVBPSA-N 1 0 300.402 2.139 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000584227246 405851963 /nfs/dbraw/zinc/85/19/63/405851963.db2.gz LDVDVUYUVSJYQA-ULQDDVLXSA-N 1 0 305.418 2.224 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNc1cc(N2CCSCC2)ncn1 ZINC000567720964 406125825 /nfs/dbraw/zinc/12/58/25/406125825.db2.gz ULOXIAWNDVPYJZ-STQMWFEESA-N 1 0 306.435 2.033 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000632638397 406208197 /nfs/dbraw/zinc/20/81/97/406208197.db2.gz JCAAMUCTWNZBLQ-HNNXBMFYSA-N 1 0 323.481 2.084 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000637320815 406257909 /nfs/dbraw/zinc/25/79/09/406257909.db2.gz AEIZPBINJJBOBV-INIZCTEOSA-N 1 0 322.497 2.010 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000637323630 406259024 /nfs/dbraw/zinc/25/90/24/406259024.db2.gz KYOWZCZXUPXOIP-AWEZNQCLSA-N 1 0 311.470 2.075 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000571076915 406475981 /nfs/dbraw/zinc/47/59/81/406475981.db2.gz SSRJZJPRDWXBFD-QEOTZNIISA-N 1 0 323.481 2.243 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000572422500 406666893 /nfs/dbraw/zinc/66/68/93/406666893.db2.gz AMQBVKLBILZPCG-HOTGVXAUSA-N 1 0 323.481 2.180 10 30 DEEERO C[NH2+][C@@H](C)c1ccc(Br)cc1N1CCO[C@H](C#N)C1 ZINC000129025072 196013124 /nfs/dbraw/zinc/01/31/24/196013124.db2.gz GGBGKYXWGRHIAA-CMPLNLGQSA-N 1 0 324.222 2.458 10 30 DEEERO CCn1cc(NC(=O)c2ccc(C#CC[NH3+])c(Cl)c2)cn1 ZINC000129037227 196014023 /nfs/dbraw/zinc/01/40/23/196014023.db2.gz DNLDTAXMQUXPHW-UHFFFAOYSA-N 1 0 302.765 2.119 10 30 DEEERO C=CCC(CC=C)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000131706913 196193043 /nfs/dbraw/zinc/19/30/43/196193043.db2.gz PEGYOSOAXXUKFJ-SFHVURJKSA-N 1 0 319.493 2.383 10 30 DEEERO Cc1cc(C#CC[NH3+])cc(C(=O)N2C[C@@H](C)S[C@H](C)C2)c1 ZINC000131808967 196200882 /nfs/dbraw/zinc/20/08/82/196200882.db2.gz LKPIGACLXGPRHB-ZIAGYGMSSA-N 1 0 302.443 2.271 10 30 DEEERO C[C@@H]1C[NH2+]C[C@H](COc2cc(Br)ccc2C#N)O1 ZINC000133424632 196330859 /nfs/dbraw/zinc/33/08/59/196330859.db2.gz BLAKFIHQQMCGSU-BXKDBHETSA-N 1 0 311.179 2.076 10 30 DEEERO [NH2+]=C(NCc1cc(F)c(Cl)cc1F)NC[C@@H]1CCCO1 ZINC000262822847 225286268 /nfs/dbraw/zinc/28/62/68/225286268.db2.gz PSTJRPMVYJHOGA-VIFPVBQESA-N 1 0 303.740 2.202 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(c2ccccc2Cl)CC1 ZINC000261976250 225260412 /nfs/dbraw/zinc/26/04/12/225260412.db2.gz VITYUNBZVOLGDT-LBPRGKRZSA-N 1 0 307.825 2.455 10 30 DEEERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC000328860241 225807306 /nfs/dbraw/zinc/80/73/06/225807306.db2.gz AIJZVFFOHJIYEQ-QWHCGFSZSA-N 1 0 304.394 2.053 10 30 DEEERO N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000333245705 226104263 /nfs/dbraw/zinc/10/42/63/226104263.db2.gz BRMYOGXKOWIUAA-MFKMUULPSA-N 1 0 302.353 2.285 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000334067746 226113363 /nfs/dbraw/zinc/11/33/63/226113363.db2.gz DYQDBWUPMCNMLL-JYJNAYRXSA-N 1 0 304.438 2.339 10 30 DEEERO N#CC1CCC(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000372998174 227101604 /nfs/dbraw/zinc/10/16/04/227101604.db2.gz DVUZOODJXULDIQ-FJBKBRRZSA-N 1 0 304.438 2.242 10 30 DEEERO C=CCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H](C)COC ZINC000637469639 424853058 /nfs/dbraw/zinc/85/30/58/424853058.db2.gz DFUFBNYNCFKWFC-ZBFHGGJFSA-N 1 0 309.454 2.236 10 30 DEEERO CC[NH+](CC)[C@@H](CNc1nc(C)cc(C#N)n1)Cc1ccccc1 ZINC000561143521 424890050 /nfs/dbraw/zinc/89/00/50/424890050.db2.gz YGRCTTODRLYPRX-GOSISDBHSA-N 1 0 323.444 3.022 10 30 DEEERO C#CCOc1ccccc1C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000375076245 424891415 /nfs/dbraw/zinc/89/14/15/424891415.db2.gz XQVDDGJKXUYUIH-HNNXBMFYSA-N 1 0 322.412 2.450 10 30 DEEERO Cc1cc(C#N)nc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000439131594 425036798 /nfs/dbraw/zinc/03/67/98/425036798.db2.gz NGHXYNNAGWZWFH-HNNXBMFYSA-N 1 0 311.389 2.889 10 30 DEEERO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000408043782 267264409 /nfs/dbraw/zinc/26/44/09/267264409.db2.gz LLYNKCXIWRVCQU-JQHSSLGASA-N 1 0 318.392 2.449 10 30 DEEERO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000246311355 274345449 /nfs/dbraw/zinc/34/54/49/274345449.db2.gz CKXFKFOHVATOON-CRAIPNDOSA-N 1 0 318.848 2.344 10 30 DEEERO N#Cc1c(Br)cccc1N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261587362 274917746 /nfs/dbraw/zinc/91/77/46/274917746.db2.gz UZAPBRBOHVLPST-GAFUQQFSSA-N 1 0 306.207 2.494 10 30 DEEERO N#Cc1cnc2ccc(Br)cc2c1N1CC[NH2+]CC1 ZINC000053994938 274930171 /nfs/dbraw/zinc/93/01/71/274930171.db2.gz INYGBPFUIXJPBF-UHFFFAOYSA-N 1 0 317.190 2.279 10 30 DEEERO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000285208031 277697794 /nfs/dbraw/zinc/69/77/94/277697794.db2.gz TXJJGCQHYNEBIN-RTBURBONSA-N 1 0 306.409 2.307 10 30 DEEERO C[C@H](CC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)N1CCCCC1=O ZINC000330024758 289394550 /nfs/dbraw/zinc/39/45/50/289394550.db2.gz KACNCXIYQQXNOX-KGLIPLIRSA-N 1 0 307.438 2.384 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000583929953 331473250 /nfs/dbraw/zinc/47/32/50/331473250.db2.gz KXCHRGRKGCQAEM-BBWFWOEESA-N 1 0 305.418 2.224 10 30 DEEERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000188008336 333156928 /nfs/dbraw/zinc/15/69/28/333156928.db2.gz DBBZODZFDHGNDY-YJBOKZPZSA-N 1 0 321.465 2.154 10 30 DEEERO C#Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000297042074 335148929 /nfs/dbraw/zinc/14/89/29/335148929.db2.gz VBDHERXYHNFCNC-SFHVURJKSA-N 1 0 311.429 2.484 10 30 DEEERO C=CCOC[C@@H](O)C[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000584627876 337376213 /nfs/dbraw/zinc/37/62/13/337376213.db2.gz NSMKTMUJSUKMHT-ZDUSSCGKSA-N 1 0 319.323 2.237 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000542321996 341005029 /nfs/dbraw/zinc/00/50/29/341005029.db2.gz FAZLOPQLVOAWCW-ZBFHGGJFSA-N 1 0 315.417 2.185 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000576578382 341853206 /nfs/dbraw/zinc/85/32/06/341853206.db2.gz PVYINNVIZKNVSW-NUJGCVRESA-N 1 0 305.418 2.306 10 30 DEEERO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(C)s1)C[C@H]1CCCO1 ZINC000036101638 518302769 /nfs/dbraw/zinc/30/27/69/518302769.db2.gz ZSQHDMSYINSOHY-JKSUJKDBSA-N 1 0 323.458 2.048 10 30 DEEERO Cc1noc([C@@H]2CC[C@H](CNC(=[NH2+])Nc3cccc(C)c3)O2)n1 ZINC000262787256 534461477 /nfs/dbraw/zinc/46/14/77/534461477.db2.gz MWWAVZVZUXZLJS-KGLIPLIRSA-N 1 0 315.377 2.333 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCC[C@@H]1O)Nc1ccc(OC(F)(F)F)cc1 ZINC000262515177 534834084 /nfs/dbraw/zinc/83/40/84/534834084.db2.gz FYDRYCLHVYPGJO-CABZTGNLSA-N 1 0 317.311 2.473 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)CC[NH3+] ZINC000418524886 526348635 /nfs/dbraw/zinc/34/86/35/526348635.db2.gz MCUMGHDEQCSZPQ-GFCCVEGCSA-N 1 0 306.366 2.030 10 30 DEEERO C[NH+]=C(NCCc1c(C)noc1C)N(C)Cc1csc(C)n1 ZINC000261648526 526363746 /nfs/dbraw/zinc/36/37/46/526363746.db2.gz DWHCQWMPUPOBQA-UHFFFAOYSA-N 1 0 321.450 2.306 10 30 DEEERO C[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261754250 526375248 /nfs/dbraw/zinc/37/52/48/526375248.db2.gz MEMDAXRAKFKOIQ-RWMBFGLXSA-N 1 0 321.856 2.135 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)C1=O ZINC000337175030 526514968 /nfs/dbraw/zinc/51/49/68/526514968.db2.gz HSIVWQIRXCKWGO-IKGGRYGDSA-N 1 0 300.402 2.141 10 30 DEEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375294751 526623586 /nfs/dbraw/zinc/62/35/86/526623586.db2.gz XJZMWRYQUKFLGB-CYBMUJFWSA-N 1 0 323.387 2.168 10 30 DEEERO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000261915525 526651988 /nfs/dbraw/zinc/65/19/88/526651988.db2.gz QUIAGWCNSKAWIV-HNNXBMFYSA-N 1 0 315.417 2.319 10 30 DEEERO C=C(Cl)CNC(NC[C@@H](O)c1ccc(Cl)s1)=[NH+]C ZINC000262775392 526884561 /nfs/dbraw/zinc/88/45/61/526884561.db2.gz JBPVNEJTWILTIN-MRVPVSSYSA-N 1 0 308.234 2.352 10 30 DEEERO C#CCOc1ccc(C[N@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)cc1 ZINC000370211058 527100557 /nfs/dbraw/zinc/10/05/57/527100557.db2.gz VFRDWVPPGPZJLM-HKUYNNGSSA-N 1 0 315.413 2.469 10 30 DEEERO C#CCOc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000247063068 527101189 /nfs/dbraw/zinc/10/11/89/527101189.db2.gz VKPWLVUAYHZRDN-IAGOWNOFSA-N 1 0 303.427 2.405 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000340292639 527175751 /nfs/dbraw/zinc/17/57/51/527175751.db2.gz PQUSYDUZSROYJN-UHFFFAOYSA-N 1 0 323.481 2.182 10 30 DEEERO C=CCCCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000448044127 527217181 /nfs/dbraw/zinc/21/71/81/527217181.db2.gz RMFGSNQDXQXQHK-UHFFFAOYSA-N 1 0 309.454 2.239 10 30 DEEERO C=CCn1c(C2CCC2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000337909488 527309332 /nfs/dbraw/zinc/30/93/32/527309332.db2.gz OXXNYWOQMRQRHD-HNNXBMFYSA-N 1 0 301.438 2.406 10 30 DEEERO C=CCn1c(CC(C)C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000337914844 527311978 /nfs/dbraw/zinc/31/19/78/527311978.db2.gz SQYLNYUGAIUHRB-HNNXBMFYSA-N 1 0 303.454 2.337 10 30 DEEERO CC[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000262814659 528814150 /nfs/dbraw/zinc/81/41/50/528814150.db2.gz WGFBDDBRWCHOBI-RVMXOQNASA-N 1 0 321.387 2.434 10 30 DEEERO CC[NH+]=C(NCc1cn2c(n1)CCCC2)NC[C@H]1CCCS1 ZINC000261997707 528828548 /nfs/dbraw/zinc/82/85/48/528828548.db2.gz SWMCXIPJVGJWKT-CQSZACIVSA-N 1 0 321.494 2.170 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000176992460 625594687 /nfs/dbraw/zinc/59/46/87/625594687.db2.gz UZZIRWZMOFPUFW-INIZCTEOSA-N 1 0 315.417 2.074 10 30 DEEERO C[NH+](C)C1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000178154353 625138614 /nfs/dbraw/zinc/13/86/14/625138614.db2.gz ZFDFFSYGHVNDJW-UHFFFAOYSA-N 1 0 320.368 2.286 10 30 DEEERO CCN(CC)c1ccc(/C=[NH+]/CCCn2ccnn2)c(O)c1 ZINC000181277904 625216550 /nfs/dbraw/zinc/21/65/50/625216550.db2.gz LCIITAWDEPVQDD-GHRIWEEISA-N 1 0 301.394 2.339 10 30 DEEERO N#Cc1ccc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000261588094 635912502 /nfs/dbraw/zinc/91/25/02/635912502.db2.gz VMDCOVLYPMQXJM-LOWVWBTDSA-N 1 0 306.207 2.494 10 30 DEEERO CC(C)(C)[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)C(N)=O ZINC000746493482 638348821 /nfs/dbraw/zinc/34/88/21/638348821.db2.gz CWPAGQFQHXNFNG-CYBMUJFWSA-N 1 0 309.797 2.232 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000805183677 640091306 /nfs/dbraw/zinc/09/13/06/640091306.db2.gz JUULTFKMAXRYQT-IAGOWNOFSA-N 1 0 311.429 2.157 10 30 DEEERO C=C(C)CN(CC)C(=O)COC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000803858752 645706837 /nfs/dbraw/zinc/70/68/37/645706837.db2.gz SRTRFVCARQJZPU-HNNXBMFYSA-N 1 0 310.438 2.219 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000807465298 645953593 /nfs/dbraw/zinc/95/35/93/645953593.db2.gz APWZEEMOBASQMH-SFHVURJKSA-N 1 0 313.445 2.358 10 30 DEEERO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c1O ZINC000164139098 646419352 /nfs/dbraw/zinc/41/93/52/646419352.db2.gz KUSBHQHXZKURNY-MRXNPFEDSA-N 1 0 318.417 2.230 10 30 DEEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000037984456 683885292 /nfs/dbraw/zinc/88/52/92/683885292.db2.gz DFHOGPDPEMKZNQ-GHMZBOCLSA-N 1 0 309.207 2.238 10 30 DEEERO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1 ZINC000125571136 684146872 /nfs/dbraw/zinc/14/68/72/684146872.db2.gz NCBFVHMRTJNFOH-CRAIPNDOSA-N 1 0 303.402 2.138 10 30 DEEERO C#CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249259623 685177389 /nfs/dbraw/zinc/17/73/89/685177389.db2.gz INVZUWXQZGSNIK-ZIAGYGMSSA-N 1 0 310.319 2.046 10 30 DEEERO COc1ccc(OC)c(NC(=[NH2+])NCc2cccc(C)n2)c1 ZINC000303901163 685239012 /nfs/dbraw/zinc/23/90/12/685239012.db2.gz SNFABELGVBZJDQ-UHFFFAOYSA-N 1 0 300.362 2.334 10 30 DEEERO CCOCCCNC(=[NH2+])NCCc1c[nH]c2cccc(C)c12 ZINC000303975987 685240974 /nfs/dbraw/zinc/24/09/74/685240974.db2.gz JOGNQDZWJMWJNV-UHFFFAOYSA-N 1 0 302.422 2.350 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000716955216 797957594 /nfs/dbraw/zinc/95/75/94/797957594.db2.gz DMLMZRXAYCUWIV-QLFBSQMISA-N 1 0 322.449 2.450 10 30 DEEERO N#Cc1sc(N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)nc1Cl ZINC000716990733 798346775 /nfs/dbraw/zinc/34/67/75/798346775.db2.gz WYQTVJSTYJAATB-NTSWFWBYSA-N 1 0 310.732 2.384 10 30 DEEERO C[C@@]12CN(c3cc(C#N)cnn3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702256754 1086416788 /nfs/dbraw/zinc/41/67/88/1086416788.db2.gz IEZBPZVKGPKIGF-PKOBYXMFSA-N 1 0 319.412 2.307 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000076801826 185042887 /nfs/dbraw/zinc/04/28/87/185042887.db2.gz WBYVMPFGXMVQBZ-UHFFFAOYSA-N 1 0 303.406 2.225 10 30 DEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000087748574 185231192 /nfs/dbraw/zinc/23/11/92/185231192.db2.gz QKDNFTSRIRQDDH-OKILXGFUSA-N 1 0 302.443 2.271 10 30 DEEERO CN(CCC(F)(F)F)C(=O)c1ccc(C#CC[NH3+])cc1F ZINC000088436898 185250395 /nfs/dbraw/zinc/25/03/95/185250395.db2.gz QQEYXJDJTWBRJM-UHFFFAOYSA-N 1 0 302.271 2.160 10 30 DEEERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328751343 282216224 /nfs/dbraw/zinc/21/62/24/282216224.db2.gz QYRWIRVKSXCUSZ-YNEHKIRRSA-N 1 0 308.426 2.014 10 30 DEEERO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000613800139 362213734 /nfs/dbraw/zinc/21/37/34/362213734.db2.gz UQCLNSKZOLSYDZ-QGZVFWFLSA-N 1 0 317.433 2.200 10 30 DEEERO CN1CC[NH+]=C1NCc1cc(Oc2ccc(F)cc2)ccn1 ZINC000262663987 529778997 /nfs/dbraw/zinc/77/89/97/529778997.db2.gz NXYQBSPIDGPIGK-UHFFFAOYSA-N 1 0 300.337 2.404 10 30 DEEERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000286719834 219128970 /nfs/dbraw/zinc/12/89/70/219128970.db2.gz CIEVPZWGENPPCB-RNCFNFMXSA-N 1 0 322.206 2.077 10 30 DEEERO C=CCCOCCCCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000615269433 362572377 /nfs/dbraw/zinc/57/23/77/362572377.db2.gz LEVQNAIVSZRDOI-IRXDYDNUSA-N 1 0 324.465 2.071 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000625701932 365874676 /nfs/dbraw/zinc/87/46/76/365874676.db2.gz UTWJGRBEDSYRFG-ZIAGYGMSSA-N 1 0 305.374 2.053 10 30 DEEERO Cc1ccc(C#CC[NH3+])c(C(=O)N2CCS[C@@H](C)[C@H]2C)c1 ZINC000133665222 186004591 /nfs/dbraw/zinc/00/45/91/186004591.db2.gz JEUGHKIJUGLVEP-KGLIPLIRSA-N 1 0 302.443 2.271 10 30 DEEERO C[C@@H]1[C@H](C)SCCN1C(=O)c1cc(C#CC[NH3+])ccc1F ZINC000133676128 186005656 /nfs/dbraw/zinc/00/56/56/186005656.db2.gz JCBJTLYAHLKEHU-NEPJUHHUSA-N 1 0 306.406 2.102 10 30 DEEERO CC(C)n1cccc1C(=O)NCc1sccc1C#CC[NH3+] ZINC000148631324 186045564 /nfs/dbraw/zinc/04/55/64/186045564.db2.gz KPADCRXKIVXRQA-UHFFFAOYSA-N 1 0 301.415 2.371 10 30 DEEERO CC[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H](C)CC#N)cc2)CC1 ZINC000155807042 186114671 /nfs/dbraw/zinc/11/46/71/186114671.db2.gz BOTPWXRIXPRKBH-HNNXBMFYSA-N 1 0 314.433 2.203 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626124403 366063687 /nfs/dbraw/zinc/06/36/87/366063687.db2.gz MQVXWDOJYDPZCL-GXTWGEPZSA-N 1 0 306.381 2.314 10 30 DEEERO CNC(=[NH2+])Nc1ccc(Br)cc1Br ZINC000052091816 354394717 /nfs/dbraw/zinc/39/47/17/354394717.db2.gz FYBOQCILWZNNNI-UHFFFAOYSA-N 1 0 306.989 2.377 10 30 DEEERO N#Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000193624286 283089275 /nfs/dbraw/zinc/08/92/75/283089275.db2.gz IKXYPULCRUHTRW-RHSMWYFYSA-N 1 0 310.401 2.042 10 30 DEEERO Cc1nc(NC(N)=[NH2+])nc2ccc(OCc3ccccc3)cc12 ZINC000138683275 355873082 /nfs/dbraw/zinc/87/30/82/355873082.db2.gz FIGSQAWJMSQHNT-UHFFFAOYSA-N 1 0 307.357 2.422 10 30 DEEERO C#CCOC[C@H](O)C[N@H+](Cc1cccc(OC)c1)[C@@H](C)CC ZINC000169678605 355979547 /nfs/dbraw/zinc/97/95/47/355979547.db2.gz LXKXABYXWRFLLG-DOTOQJQBSA-N 1 0 305.418 2.306 10 30 DEEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182276961 356117971 /nfs/dbraw/zinc/11/79/71/356117971.db2.gz LOEOSCPGJWGUSF-PXAZEXFGSA-N 1 0 317.389 2.120 10 30 DEEERO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(C#N)cn1C ZINC000081726599 192318102 /nfs/dbraw/zinc/31/81/02/192318102.db2.gz GAMLVUYRIJEXHY-UHFFFAOYSA-N 1 0 302.422 2.233 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000626843741 366343281 /nfs/dbraw/zinc/34/32/81/366343281.db2.gz XPDIQNXEGHRLKV-UHFFFAOYSA-N 1 0 317.433 2.453 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000626844035 366344809 /nfs/dbraw/zinc/34/48/09/366344809.db2.gz FJUUZRDIGJAFSV-QWHCGFSZSA-N 1 0 301.390 2.069 10 30 DEEERO C=CCN(CC=C)S(=O)(=O)c1c(C)oc(C)c1C[NH2+]CC ZINC000088904564 192650005 /nfs/dbraw/zinc/65/00/05/192650005.db2.gz FPIHILBAMCMGSK-UHFFFAOYSA-N 1 0 312.435 2.369 10 30 DEEERO C=CCN(CC=C)S(=O)(=O)c1cc(C[NH2+]C)c(C)cc1C ZINC000088904767 192652076 /nfs/dbraw/zinc/65/20/76/192652076.db2.gz JVALJUHGWGZCBM-UHFFFAOYSA-N 1 0 308.447 2.386 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000593905132 358168483 /nfs/dbraw/zinc/16/84/83/358168483.db2.gz NUAJZAQUOBMOHQ-HNNXBMFYSA-N 1 0 323.396 2.313 10 30 DEEERO C=CC[C@]1(C(=O)Nc2ccc(C(=O)OC)c(C)c2)CCC[NH2+]1 ZINC000595934441 358583412 /nfs/dbraw/zinc/58/34/12/358583412.db2.gz CQJXHXVLLIVIHA-QGZVFWFLSA-N 1 0 302.374 2.418 10 30 DEEERO C=CC[C@H]1CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000599064780 359393506 /nfs/dbraw/zinc/39/35/06/359393506.db2.gz IIBCOXHMMJRJBL-AWEZNQCLSA-N 1 0 311.495 2.421 10 30 DEEERO C=CCOc1cccc(C[N@H+]2CC[C@](OC)(C(=O)OC)C2)c1 ZINC000600189626 359683378 /nfs/dbraw/zinc/68/33/78/359683378.db2.gz LDLHTTGNQDOWBI-QGZVFWFLSA-N 1 0 305.374 2.015 10 30 DEEERO N#Cc1c(Br)cccc1NCC1([NH3+])CCOCC1 ZINC000600952695 359869980 /nfs/dbraw/zinc/86/99/80/359869980.db2.gz RWTKCUSXNJUBLR-UHFFFAOYSA-N 1 0 310.195 2.241 10 30 DEEERO C=C(C)CN1CCC([NH2+]Cc2cc(C)c(C(=O)OC)[nH]2)CC1 ZINC000602540572 360423868 /nfs/dbraw/zinc/42/38/68/360423868.db2.gz QHAYBRSNXGIZOF-UHFFFAOYSA-N 1 0 305.422 2.240 10 30 DEEERO C[NH+](C)[C@]1(CNC(=O)NCC2CCC(C#N)CC2)CCSC1 ZINC000441004098 238001086 /nfs/dbraw/zinc/00/10/86/238001086.db2.gz PMGBHBQULHSDDS-XUJLQICISA-N 1 0 324.494 2.053 10 30 DEEERO COc1cc(C#N)ccc1OCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191281440 200660993 /nfs/dbraw/zinc/66/09/93/200660993.db2.gz CYEKIRYBIXFZBX-STQMWFEESA-N 1 0 304.390 2.179 10 30 DEEERO N#CCCCOc1cccc(C[NH2+]C2(CCO)CCOCC2)c1 ZINC000610771625 361463798 /nfs/dbraw/zinc/46/37/98/361463798.db2.gz HKWAXNDBYUYTLF-UHFFFAOYSA-N 1 0 318.417 2.390 10 30 DEEERO N#Cc1ccc(C[NH2+]C2CCN(c3cnccn3)CC2)c(F)c1 ZINC000610812485 361471393 /nfs/dbraw/zinc/47/13/93/361471393.db2.gz FWMJFANYGBVBSO-UHFFFAOYSA-N 1 0 311.364 2.246 10 30 DEEERO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000619670774 363852001 /nfs/dbraw/zinc/85/20/01/363852001.db2.gz YHRFDXCNQGOIQN-UYSNPLJNSA-N 1 0 306.454 2.488 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000623403903 365017674 /nfs/dbraw/zinc/01/76/74/365017674.db2.gz KXYVOQZOIWLIGQ-HRCADAONSA-N 1 0 309.454 2.093 10 30 DEEERO C=CC(C)(C)CCNC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000623467112 365040344 /nfs/dbraw/zinc/04/03/44/365040344.db2.gz XSGOVPWXMHPSBL-UHFFFAOYSA-N 1 0 324.513 2.306 10 30 DEEERO C=CC[C@H](C)NC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000623623165 365106517 /nfs/dbraw/zinc/10/65/17/365106517.db2.gz BFMMFZLSUWYCBT-HNNXBMFYSA-N 1 0 309.454 2.237 10 30 DEEERO N#Cc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c(Br)c1 ZINC000091543569 193071483 /nfs/dbraw/zinc/07/14/83/193071483.db2.gz FRBSXSRAAIHHCM-UWVGGRQHSA-N 1 0 308.179 2.387 10 30 DEEERO C=CCCN(C)C(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1 ZINC000624587716 365482145 /nfs/dbraw/zinc/48/21/45/365482145.db2.gz TVYSMXYPWWOCAL-INIZCTEOSA-N 1 0 317.433 2.487 10 30 DEEERO C[C@@H](NC(=O)c1ccc(C#N)n1C)[C@H](c1ccccc1)[NH+](C)C ZINC000450705468 242124349 /nfs/dbraw/zinc/12/43/49/242124349.db2.gz XHARVJDODBOYGK-CXAGYDPISA-N 1 0 310.401 2.318 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(CCC[N@@H+](C)Cc2ccccc2)C1=O ZINC000630965453 367940504 /nfs/dbraw/zinc/94/05/04/367940504.db2.gz RRFXOECSOWQDDG-INIZCTEOSA-N 1 0 315.417 2.395 10 30 DEEERO C=CCc1cc(C[NH2+]CC[C@@H](O)C(F)F)cc(OC)c1O ZINC000631217986 368085033 /nfs/dbraw/zinc/08/50/33/368085033.db2.gz ZTHMQUBHPZAOCE-GFCCVEGCSA-N 1 0 301.333 2.235 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nnc(C2CC2)o1)C(C)C ZINC000631325412 368150420 /nfs/dbraw/zinc/15/04/20/368150420.db2.gz YWXBYFJOANZIFM-CQSZACIVSA-N 1 0 318.421 2.375 10 30 DEEERO C=C(Br)COc1ccc(C[NH2+]CCOC)nc1 ZINC000094212319 193349191 /nfs/dbraw/zinc/34/91/91/193349191.db2.gz MBFZRQJUSNQFBS-UHFFFAOYSA-N 1 0 301.184 2.105 10 30 DEEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1sccc1C#CCO ZINC000094441014 193369914 /nfs/dbraw/zinc/36/99/14/193369914.db2.gz SKNOLRWXXGIHLK-GDBMZVCRSA-N 1 0 304.459 2.151 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2cc(F)ccc2C#N)C[C@@H]1C ZINC000159951579 197376215 /nfs/dbraw/zinc/37/62/15/197376215.db2.gz ICPHZJUHTIGORA-AWEZNQCLSA-N 1 0 305.397 2.240 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](COC)CC2)CC1 ZINC000458317958 248261034 /nfs/dbraw/zinc/26/10/34/248261034.db2.gz DCOVKWQCHKQLNJ-OAHLLOKOSA-N 1 0 309.454 2.095 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1nncs1)C(C)C ZINC000043128392 183340120 /nfs/dbraw/zinc/34/01/20/183340120.db2.gz XJDBNYRYYAYSKW-GFCCVEGCSA-N 1 0 309.439 2.358 10 30 DEEERO C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(CC#N)CC#N ZINC000043259203 183349241 /nfs/dbraw/zinc/34/92/41/183349241.db2.gz ZRQOYUKDMVDTRH-GZMMTYOYSA-N 1 0 313.224 2.248 10 30 DEEERO C#CCNC(=O)[C@H](C)Oc1ccc(C[NH2+]C(C)C)cc1Cl ZINC000043479823 183365927 /nfs/dbraw/zinc/36/59/27/183365927.db2.gz NFIKZXKYTMINEO-LBPRGKRZSA-N 1 0 308.809 2.355 10 30 DEEERO CS(=O)(=O)c1ccc(OCc2ccc(C#CC[NH3+])s2)cc1 ZINC000043685312 183380006 /nfs/dbraw/zinc/38/00/06/183380006.db2.gz CBJUSIXOBMNNIB-UHFFFAOYSA-N 1 0 321.423 2.041 10 30 DEEERO C=C[C@@](C)(C[NH2+]CCC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000158787365 197300738 /nfs/dbraw/zinc/30/07/38/197300738.db2.gz QGDXQDPRCYYQQY-LSDHHAIUSA-N 1 0 302.484 2.240 10 30 DEEERO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000120350416 195149428 /nfs/dbraw/zinc/14/94/28/195149428.db2.gz LQQUFRAYUSTHDD-LBPRGKRZSA-N 1 0 315.398 2.056 10 30 DEEERO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC[NH2+]1 ZINC000333811910 533613638 /nfs/dbraw/zinc/61/36/38/533613638.db2.gz JMGCJFTVLHEYAR-SIXLDLHFSA-N 1 0 312.417 2.076 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1sccc1C#N ZINC000247559052 145141140 /nfs/dbraw/zinc/14/11/40/145141140.db2.gz ZWRHHEHAXYHGMS-OCCSQVGLSA-N 1 0 318.446 2.117 10 30 DEEERO C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc(C#N)cc1F ZINC000358590208 147161551 /nfs/dbraw/zinc/16/15/51/147161551.db2.gz NKIZIJPNHYWOOK-CYBMUJFWSA-N 1 0 305.397 2.459 10 30 DEEERO C=CCOc1ccc(C[NH2+]CCCN2CCCC2=O)cc1OC ZINC000013727691 401804106 /nfs/dbraw/zinc/80/41/06/401804106.db2.gz HKIRNKGWLCREDF-UHFFFAOYSA-N 1 0 318.417 2.362 10 30 DEEERO C=CCC[C@H](O)C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000127859984 401753300 /nfs/dbraw/zinc/75/33/00/401753300.db2.gz KUMCIHOMCDQAAH-HOTGVXAUSA-N 1 0 324.490 2.380 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccccc1C#N ZINC000113271688 401774283 /nfs/dbraw/zinc/77/42/83/401774283.db2.gz QCAZNYMJQMFSOH-GOEBONIOSA-N 1 0 312.417 2.055 10 30 DEEERO C=CCNc1ncc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)s1 ZINC000130097319 401818458 /nfs/dbraw/zinc/81/84/58/401818458.db2.gz ABTVPZKMXIMINL-NEPJUHHUSA-N 1 0 308.451 2.200 10 30 DEEERO C#Cc1cccc(NC(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)c1 ZINC000117440115 401877051 /nfs/dbraw/zinc/87/70/51/401877051.db2.gz SIZUCZKHGLULFI-KRWDZBQOSA-N 1 0 315.417 2.242 10 30 DEEERO C[C@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)O1 ZINC000151036986 402012244 /nfs/dbraw/zinc/01/22/44/402012244.db2.gz MQWPPTDOVGIOOV-YOEHRIQHSA-N 1 0 315.417 2.016 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[NH+](CC)CC ZINC000063341814 402111961 /nfs/dbraw/zinc/11/19/61/402111961.db2.gz JGULAADRZNFJSE-UHFFFAOYSA-N 1 0 305.378 2.451 10 30 DEEERO N#Cc1c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cn2ccccc12 ZINC000069919927 402251126 /nfs/dbraw/zinc/25/11/26/402251126.db2.gz MOZXTUBUOZVVAI-OAHLLOKOSA-N 1 0 320.400 2.315 10 30 DEEERO C=CCCCN(C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000156390395 402282250 /nfs/dbraw/zinc/28/22/50/402282250.db2.gz DBOQFLJVTBTSSS-IRXDYDNUSA-N 1 0 323.481 2.362 10 30 DEEERO CCO[C@H]1C[C@@H](NC(=[NH2+])NC2CCCCC2)C12CCOCC2 ZINC000184646585 402288070 /nfs/dbraw/zinc/28/80/70/402288070.db2.gz HQHXKNWKXPGLEL-CABCVRRESA-N 1 0 309.454 2.198 10 30 DEEERO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(C#N)cn2C)c1 ZINC000177160516 402377137 /nfs/dbraw/zinc/37/71/37/402377137.db2.gz AKZNWNWUAACCKC-UHFFFAOYSA-N 1 0 324.428 2.409 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177454486 402404412 /nfs/dbraw/zinc/40/44/12/402404412.db2.gz AHLHZOITNZWKBU-IMJJTQAJSA-N 1 0 315.417 2.315 10 30 DEEERO C=CC[C@H](CO)[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000186684612 402454940 /nfs/dbraw/zinc/45/49/40/402454940.db2.gz NYXZWUCQJCUPBL-TXKKKEFDSA-N 1 0 300.402 2.346 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(C#N)cc2OC)C[C@H]1C ZINC000245860142 402491945 /nfs/dbraw/zinc/49/19/45/402491945.db2.gz FGSOJSMRUIKPDO-OAHLLOKOSA-N 1 0 317.433 2.109 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000246385886 402528579 /nfs/dbraw/zinc/52/85/79/402528579.db2.gz JKZNSGKPAZMFIX-YDHLFZDLSA-N 1 0 313.401 2.067 10 30 DEEERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@H]1CCCO1 ZINC000248617707 402599503 /nfs/dbraw/zinc/59/95/03/402599503.db2.gz SAHFASKIYADLGT-OWQJAQGESA-N 1 0 321.465 2.463 10 30 DEEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccc(C#N)cn2)C1 ZINC000190449724 402601859 /nfs/dbraw/zinc/60/18/59/402601859.db2.gz FTEXCDSVJUQVKO-KRWDZBQOSA-N 1 0 307.401 2.307 10 30 DEEERO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCSC3)C2=O)cc1 ZINC000190614540 402613625 /nfs/dbraw/zinc/61/36/25/402613625.db2.gz QIBZBMHKCLBSAV-HZPDHXFCSA-N 1 0 315.442 2.144 10 30 DEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000249073456 402619483 /nfs/dbraw/zinc/61/94/83/402619483.db2.gz MMFMRRUTAHBZMA-WMLDXEAASA-N 1 0 311.429 2.435 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000249141216 402621738 /nfs/dbraw/zinc/62/17/38/402621738.db2.gz QPDALUDQLYOIRT-MRXNPFEDSA-N 1 0 301.434 2.409 10 30 DEEERO CO[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@H]1C ZINC000252012473 402652407 /nfs/dbraw/zinc/65/24/07/402652407.db2.gz XTYCYLLUAFFIKE-HUUCEWRRSA-N 1 0 307.438 2.028 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C#N)cc1 ZINC000173794379 402713013 /nfs/dbraw/zinc/71/30/13/402713013.db2.gz UEJWCGQZSJDVDQ-DLBZAZTESA-N 1 0 312.417 2.326 10 30 DEEERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCSCC#N)C2)n1 ZINC000173886987 402716671 /nfs/dbraw/zinc/71/66/71/402716671.db2.gz ACDFTTFKEYXLSK-HNNXBMFYSA-N 1 0 307.467 2.254 10 30 DEEERO C[C@@H](C(=O)NCCOc1ccc(C#N)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000174194741 402731086 /nfs/dbraw/zinc/73/10/86/402731086.db2.gz IPBSXETXULZADE-KFWWJZLASA-N 1 0 315.417 2.315 10 30 DEEERO C#CCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000175020390 402772153 /nfs/dbraw/zinc/77/21/53/402772153.db2.gz NIEXQVUBYRRFML-RDJZCZTQSA-N 1 0 314.433 2.005 10 30 DEEERO N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)s1 ZINC000184251741 402830916 /nfs/dbraw/zinc/83/09/16/402830916.db2.gz VHXNTZWBTGTAEA-OAHLLOKOSA-N 1 0 312.398 2.300 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cccc(I)c1 ZINC000283795126 403224218 /nfs/dbraw/zinc/22/42/18/403224218.db2.gz ARDMGCVHEQPUOB-GFCCVEGCSA-N 1 0 317.170 2.318 10 30 DEEERO C#CCC(CC#C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000288497235 403755532 /nfs/dbraw/zinc/75/55/32/403755532.db2.gz SLUSOPJXMXZXDM-LJQANCHMSA-N 1 0 308.425 2.382 10 30 DEEERO C=CCN1CC[C@H](N(C)Cc2ccccc2OC2CC2)C1=O ZINC000295469574 403942988 /nfs/dbraw/zinc/94/29/88/403942988.db2.gz XXMTUNBHVAOFNO-INIZCTEOSA-N 1 0 300.402 2.447 10 30 DEEERO C=C(C)CC[NH+]1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000352011621 404074852 /nfs/dbraw/zinc/07/48/52/404074852.db2.gz CAKJUMNUKDQDGD-UHFFFAOYSA-N 1 0 307.482 2.219 10 30 DEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000352086269 404134729 /nfs/dbraw/zinc/13/47/29/404134729.db2.gz ZWTYKTYPARJESB-APHBMKBZSA-N 1 0 321.852 2.366 10 30 DEEERO O=C(N[C@H]1CC[C@H](O)CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000328665073 404126297 /nfs/dbraw/zinc/12/62/97/404126297.db2.gz BWOAMEBFCOCMAB-BZUAXINKSA-N 1 0 309.454 2.154 10 30 DEEERO C#CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000369741525 404214971 /nfs/dbraw/zinc/21/49/71/404214971.db2.gz MQTQBVKAGZQZBR-DZGCQCFKSA-N 1 0 305.447 2.454 10 30 DEEERO C=CCOc1ccccc1C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000344516133 404197716 /nfs/dbraw/zinc/19/77/16/404197716.db2.gz ONOHRQAYXCYXLF-NUEKZKHPSA-N 1 0 300.402 2.350 10 30 DEEERO C=CC[C@H](CO)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412315879 404243378 /nfs/dbraw/zinc/24/33/78/404243378.db2.gz LWNHXMSGBIOXCH-QGZVFWFLSA-N 1 0 302.418 2.339 10 30 DEEERO Cn1cc([NH+]=C([O-])N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)cn1 ZINC000329302489 404294894 /nfs/dbraw/zinc/29/48/94/404294894.db2.gz WLCXBRLPDKJREA-LLVKDONJSA-N 1 0 316.409 2.255 10 30 DEEERO C=C[C@@](C)(O)CC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000356051169 404387540 /nfs/dbraw/zinc/38/75/40/404387540.db2.gz JZUWEFSHQQTTOI-WMLDXEAASA-N 1 0 304.390 2.337 10 30 DEEERO C=CCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000351076244 404510308 /nfs/dbraw/zinc/51/03/08/404510308.db2.gz SBUHTWUKWBBTLP-CQSZACIVSA-N 1 0 312.421 2.132 10 30 DEEERO C=CCn1c(C2CCC2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000350742496 404458248 /nfs/dbraw/zinc/45/82/48/404458248.db2.gz XDIZUOQMJDOQKO-UKRRQHHQSA-N 1 0 301.438 2.405 10 30 DEEERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000330262093 404605427 /nfs/dbraw/zinc/60/54/27/404605427.db2.gz UREFPLNYVAKYCA-VXSWHIBVSA-N 1 0 307.438 2.073 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000297742675 404609873 /nfs/dbraw/zinc/60/98/73/404609873.db2.gz UOOHSAOMFBMURM-IBGZPJMESA-N 1 0 311.429 2.295 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)c2cccc3ccc(=O)[nH]c32)CC1 ZINC000345235755 404630612 /nfs/dbraw/zinc/63/06/12/404630612.db2.gz WZCXCTMBEQTELD-UHFFFAOYSA-N 1 0 311.385 2.321 10 30 DEEERO C=CCNC(=O)CN(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000360178234 404820475 /nfs/dbraw/zinc/82/04/75/404820475.db2.gz HFULQLYGCPDSKC-AEFFLSMTSA-N 1 0 315.461 2.446 10 30 DEEERO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415194133 404825378 /nfs/dbraw/zinc/82/53/78/404825378.db2.gz YFYUMVVOTZCTFT-HNNXBMFYSA-N 1 0 315.417 2.302 10 30 DEEERO C=CCC[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)C1CC1 ZINC000353970403 404978189 /nfs/dbraw/zinc/97/81/89/404978189.db2.gz DJOBBIHLDHONLG-LSDHHAIUSA-N 1 0 300.468 2.135 10 30 DEEERO C=C(C)COCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415961424 404985426 /nfs/dbraw/zinc/98/54/26/404985426.db2.gz RHPICKQHYABDDH-UHFFFAOYSA-N 1 0 307.369 2.186 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000424925550 405213980 /nfs/dbraw/zinc/21/39/80/405213980.db2.gz PLPDMHVKCWZBFD-BBWFWOEESA-N 1 0 302.418 2.387 10 30 DEEERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(C#N)n2C)C1 ZINC000448713742 405440896 /nfs/dbraw/zinc/44/08/96/405440896.db2.gz NHNRCXBOVYUZQU-HUUCEWRRSA-N 1 0 316.449 2.385 10 30 DEEERO C=CC[C@@]1(C(=O)NC[C@@H](OC)c2cccc(OC)c2)CCC[NH2+]1 ZINC000638452680 405478529 /nfs/dbraw/zinc/47/85/29/405478529.db2.gz BHRIPISJPIOYLJ-AEFFLSMTSA-N 1 0 318.417 2.197 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000528029454 405483588 /nfs/dbraw/zinc/48/35/88/405483588.db2.gz ZVNXAVBLUXSXIF-UAGQMJEPSA-N 1 0 321.465 2.284 10 30 DEEERO C=CCNC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430969518 405551903 /nfs/dbraw/zinc/55/19/03/405551903.db2.gz DGLFWWHFRSWHHF-UHFFFAOYSA-N 1 0 322.497 2.010 10 30 DEEERO C=CCOc1ccc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000449545834 405608813 /nfs/dbraw/zinc/60/88/13/405608813.db2.gz UJCVWDPVWSBYAB-IYBDPMFKSA-N 1 0 304.434 2.138 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)c1ccnn1C)C(C)C ZINC000421768325 405639201 /nfs/dbraw/zinc/63/92/01/405639201.db2.gz DZVNIYZDYZUSPM-RDJZCZTQSA-N 1 0 318.465 2.338 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@]12CCOC2)C(C)C ZINC000422171996 405662229 /nfs/dbraw/zinc/66/22/29/405662229.db2.gz NSVKCLAMVQFIKB-AEFFLSMTSA-N 1 0 321.465 2.259 10 30 DEEERO C=CCC(CC=C)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638782172 405666243 /nfs/dbraw/zinc/66/62/43/405666243.db2.gz OXFVHGQFHOAMGK-KRWDZBQOSA-N 1 0 306.450 2.372 10 30 DEEERO C=CC[C@H](CO)C[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000638830326 405699474 /nfs/dbraw/zinc/69/94/74/405699474.db2.gz OFMRVNDVBXGFJU-AWEZNQCLSA-N 1 0 312.417 2.419 10 30 DEEERO C=CCOc1cccnc1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845081 405710603 /nfs/dbraw/zinc/71/06/03/405710603.db2.gz IBNQXQIJUZTKTN-UHFFFAOYSA-N 1 0 323.396 2.222 10 30 DEEERO C=CCCC(C)(C)CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000638866201 405726603 /nfs/dbraw/zinc/72/66/03/405726603.db2.gz PLEOTVIZIIKNRN-CQSZACIVSA-N 1 0 319.453 2.315 10 30 DEEERO C=C1CC[NH+](CCC(=O)NCc2ccc(OC)cc2OC)CC1 ZINC000450397120 405875619 /nfs/dbraw/zinc/87/56/19/405875619.db2.gz VBWVZHQOBJRADK-UHFFFAOYSA-N 1 0 318.417 2.362 10 30 DEEERO C=C1CC(C)(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000632118167 406009686 /nfs/dbraw/zinc/00/96/86/406009686.db2.gz ITPGMQUKFYKTFO-SJPCQFCGSA-N 1 0 317.477 2.112 10 30 DEEERO C=CC(C)(C)CCNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000637089615 406174245 /nfs/dbraw/zinc/17/42/45/406174245.db2.gz LXIAKLARBMAEKQ-OAHLLOKOSA-N 1 0 311.470 2.389 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000637320932 406257785 /nfs/dbraw/zinc/25/77/85/406257785.db2.gz CJGWLKZABDVVJQ-UHFFFAOYSA-N 1 0 311.470 2.077 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000637325286 406259761 /nfs/dbraw/zinc/25/97/61/406259761.db2.gz SBLINDMOGYNUKB-OAHLLOKOSA-N 1 0 311.470 2.341 10 30 DEEERO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CCC[NH+](C)C ZINC000537215165 406285936 /nfs/dbraw/zinc/28/59/36/406285936.db2.gz RMTGIHCVPCWGLQ-QGZVFWFLSA-N 1 0 317.433 2.372 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000637623339 406369291 /nfs/dbraw/zinc/36/92/91/406369291.db2.gz ACNADUMYTGFUAK-MRXNPFEDSA-N 1 0 323.481 2.343 10 30 DEEERO C=CCCCCCNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000570291108 406373427 /nfs/dbraw/zinc/37/34/27/406373427.db2.gz HWUZYAHKXRLVHI-UHFFFAOYSA-N 1 0 311.470 2.221 10 30 DEEERO C=CCCCCCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000572055172 406599218 /nfs/dbraw/zinc/59/92/18/406599218.db2.gz FKBNQJCYYBCGFN-UHFFFAOYSA-N 1 0 310.486 2.058 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000572631457 406709850 /nfs/dbraw/zinc/70/98/50/406709850.db2.gz SQARNXFQBJTGKY-WFASDCNBSA-N 1 0 319.380 2.184 10 30 DEEERO Cc1cc(C#CC[NH3+])cc(C(=O)NC[C@@H]2CCCCS2)c1 ZINC000131827852 196202976 /nfs/dbraw/zinc/20/29/76/196202976.db2.gz VQQJUAWWKCHTBD-INIZCTEOSA-N 1 0 302.443 2.321 10 30 DEEERO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)N(C)CCC#N)C12CCCC2 ZINC000131901627 196209335 /nfs/dbraw/zinc/20/93/35/196209335.db2.gz HCMHNZULBAIXKP-JKSUJKDBSA-N 1 0 321.465 2.418 10 30 DEEERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(Br)cc1C#N ZINC000132447354 196257342 /nfs/dbraw/zinc/25/73/42/196257342.db2.gz BQTQZFNVCFRJNY-GZMMTYOYSA-N 1 0 308.179 2.115 10 30 DEEERO C[C@@H]1CCC[C@H](NC(NCC(=O)N(C)C)=[NH+]C2CCCC2)C1 ZINC000262253784 225266490 /nfs/dbraw/zinc/26/64/90/225266490.db2.gz CKEBAGHLMOWIEM-HIFRSBDPSA-N 1 0 308.470 2.131 10 30 DEEERO [NH2+]=C(NC1CC(F)(c2cccc(Cl)c2)C1)N1CCOCC1 ZINC000262477858 225273450 /nfs/dbraw/zinc/27/34/50/225273450.db2.gz QOFUFNZXOLGVLQ-UHFFFAOYSA-N 1 0 311.788 2.314 10 30 DEEERO Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000328936902 225816471 /nfs/dbraw/zinc/81/64/71/225816471.db2.gz CSYYWYQCBFVMFD-IXYNUQLISA-N 1 0 320.437 2.327 10 30 DEEERO N#CC1CCC(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000372998173 227101651 /nfs/dbraw/zinc/10/16/51/227101651.db2.gz DVUZOODJXULDIQ-CKUJCDMFSA-N 1 0 304.438 2.242 10 30 DEEERO CCO[C@H]1C[C@H](NC(=[NH2+])N2CCC(C)CC2)C12CCOCC2 ZINC000184595359 276363780 /nfs/dbraw/zinc/36/37/80/276363780.db2.gz XNHSMMAFTVDTRE-GJZGRUSLSA-N 1 0 309.454 2.007 10 30 DEEERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000109754646 277047087 /nfs/dbraw/zinc/04/70/87/277047087.db2.gz KYIBQDQUBIECHG-IBGZPJMESA-N 1 0 312.461 2.160 10 30 DEEERO C[C@H]1CCCN(c2ncc(Br)cc2C#N)[C@@H]1C[NH3+] ZINC000261591376 279672779 /nfs/dbraw/zinc/67/27/79/279672779.db2.gz XSHIRYUUZOFAGK-JOYOIKCWSA-N 1 0 309.211 2.279 10 30 DEEERO O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCn2cncc2C1 ZINC000330068540 295376242 /nfs/dbraw/zinc/37/62/42/295376242.db2.gz VLIJKHOFHHGNFT-NFOMZHRRSA-N 1 0 302.422 2.419 10 30 DEEERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1CCC(C#N)CC1 ZINC000442734499 300218433 /nfs/dbraw/zinc/21/84/33/300218433.db2.gz DMGOPXGDIAMBMF-SLTXQBBLSA-N 1 0 306.454 2.298 10 30 DEEERO C[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329450247 533706256 /nfs/dbraw/zinc/70/62/56/533706256.db2.gz LLFRLMGJUYFESL-IJEWVQPXSA-N 1 0 319.453 2.201 10 30 DEEERO C=CCSCCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000565479029 331675725 /nfs/dbraw/zinc/67/57/25/331675725.db2.gz DMGSAHPEPYRERP-OAHLLOKOSA-N 1 0 305.447 2.173 10 30 DEEERO COc1cc(CNC2=[NH+]C[C@H](C)N2)ccc1OC1CCCC1 ZINC000262200927 533711973 /nfs/dbraw/zinc/71/19/73/533711973.db2.gz AUEZCAWVJKSPHL-LBPRGKRZSA-N 1 0 303.406 2.454 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@]2(C)Br)CC1 ZINC000528450445 332753973 /nfs/dbraw/zinc/75/39/73/332753973.db2.gz SGENSVLUEUWGPG-OCCSQVGLSA-N 1 0 315.255 2.317 10 30 DEEERO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000521426596 333381287 /nfs/dbraw/zinc/38/12/87/333381287.db2.gz IVMMXKGVEDJSPN-ZIAGYGMSSA-N 1 0 307.390 2.489 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@H]2CCC[C@@H](CC)C2)CC1 ZINC000346138036 335380116 /nfs/dbraw/zinc/38/01/16/335380116.db2.gz JSKPWOAMXSOYAZ-SJORKVTESA-N 1 0 307.482 2.123 10 30 DEEERO CC[NH+]1CCC(CNC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000582704569 337122407 /nfs/dbraw/zinc/12/24/07/337122407.db2.gz FRWKLQUQRQRWSS-UHFFFAOYSA-N 1 0 306.454 2.347 10 30 DEEERO C=C(C)COc1cc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)ccc1OC ZINC000527759288 337761819 /nfs/dbraw/zinc/76/18/19/337761819.db2.gz SHUXPKLBSBOLTJ-CVEARBPZSA-N 1 0 321.417 2.280 10 30 DEEERO C=CC[C@H](CC)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527900658 337772786 /nfs/dbraw/zinc/77/27/86/337772786.db2.gz DLNIGFPTOURHGK-HNNXBMFYSA-N 1 0 309.454 2.237 10 30 DEEERO C=C[C@](C)(CC)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000135149164 341232376 /nfs/dbraw/zinc/23/23/76/341232376.db2.gz HGPZMABAKIPVHZ-SUTQANCOSA-N 1 0 319.493 2.358 10 30 DEEERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(F)c3C#N)[C@H]2C1 ZINC000577809032 341938213 /nfs/dbraw/zinc/93/82/13/341938213.db2.gz RKMRINSOJLAECX-QILLFSRXSA-N 1 0 315.392 2.434 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCc2csc(Br)c2)CCO1 ZINC000262464391 533786945 /nfs/dbraw/zinc/78/69/45/533786945.db2.gz NGVHGDJGIPSGBM-QMMMGPOBSA-N 1 0 318.240 2.046 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCCc2c[nH]c3ccc(Cl)cc23)CCO1 ZINC000262464864 533787331 /nfs/dbraw/zinc/78/73/31/533787331.db2.gz NKQRTQPQXPZDOJ-NSHDSACASA-N 1 0 320.824 2.399 10 30 DEEERO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418590716 526338364 /nfs/dbraw/zinc/33/83/64/526338364.db2.gz JSYNZCZLYFWESL-YOEHRIQHSA-N 1 0 317.433 2.391 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418584929 526344020 /nfs/dbraw/zinc/34/40/20/526344020.db2.gz CUFBRLPVBYGYKR-PBHICJAKSA-N 1 0 312.417 2.254 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH3+])CCC1 ZINC000418518470 526348597 /nfs/dbraw/zinc/34/85/97/526348597.db2.gz LRWHEEJIMADOPI-UHFFFAOYSA-N 1 0 318.377 2.174 10 30 DEEERO C[NH+]=C(NC[C@@H]1CC=CCC1)NC[C@](C)(O)c1ccc(C)o1 ZINC000262369804 526368819 /nfs/dbraw/zinc/36/88/19/526368819.db2.gz JULQUYYVFTXNNA-PBHICJAKSA-N 1 0 305.422 2.317 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)CO ZINC000295839902 526374463 /nfs/dbraw/zinc/37/44/63/526374463.db2.gz WTGXEIGZIVPFFB-MJBXVCDLSA-N 1 0 310.463 2.258 10 30 DEEERO C[NH+]=C(NCc1ccn(C2CCCC2)n1)N(C)C[C@@H]1CCOC1 ZINC000261739688 526385945 /nfs/dbraw/zinc/38/59/45/526385945.db2.gz ZKNZLZSHHJXPBJ-AWEZNQCLSA-N 1 0 319.453 2.042 10 30 DEEERO C[NH+]=C(NCc1ccoc1)NCc1cc(F)cc2c1OCOC2 ZINC000176326153 526388096 /nfs/dbraw/zinc/38/80/96/526388096.db2.gz ZDIMJWXLIFNVSW-UHFFFAOYSA-N 1 0 319.336 2.150 10 30 DEEERO C=C(C)CCSCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000375641832 526459130 /nfs/dbraw/zinc/45/91/30/526459130.db2.gz LOJJLUXPZDEWRU-HNNXBMFYSA-N 1 0 314.495 2.159 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](C3CCC3)C2)CC1 ZINC000413248971 526586862 /nfs/dbraw/zinc/58/68/62/526586862.db2.gz YDHWUVCYXLSLIX-QGZVFWFLSA-N 1 0 321.465 2.237 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247699812 526633034 /nfs/dbraw/zinc/63/30/34/526633034.db2.gz XORIHKVIOMBSMS-BHYGNILZSA-N 1 0 302.418 2.265 10 30 DEEERO C#CCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246304340 526714263 /nfs/dbraw/zinc/71/42/63/526714263.db2.gz NIEXQVUBYRRFML-DOTOQJQBSA-N 1 0 314.433 2.005 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418133274 526796489 /nfs/dbraw/zinc/79/64/89/526796489.db2.gz KEGRUXUUHRXPLY-GJZGRUSLSA-N 1 0 309.454 2.319 10 30 DEEERO C=CCOc1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000418169470 526881580 /nfs/dbraw/zinc/88/15/80/526881580.db2.gz PYQVMQSUFXNIII-BBRMVZONSA-N 1 0 303.406 2.049 10 30 DEEERO C#CCSCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246304782 527142153 /nfs/dbraw/zinc/14/21/53/527142153.db2.gz NJWMBFIQRGQMKD-CABCVRRESA-N 1 0 309.479 2.010 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000248545418 527195269 /nfs/dbraw/zinc/19/52/69/527195269.db2.gz DJEPFDRDDCZWMG-HUUCEWRRSA-N 1 0 311.470 2.123 10 30 DEEERO C=CCC[C@H](O)C[NH+]1CCc2cc(OC)c(OC)cc2CC1 ZINC000370496907 527493723 /nfs/dbraw/zinc/49/37/23/527493723.db2.gz XPRIQRRZZYWQGS-INIZCTEOSA-N 1 0 305.418 2.432 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000424119062 527499611 /nfs/dbraw/zinc/49/96/11/527499611.db2.gz CODZLYJWDDFLMN-JQFCIGGWSA-N 1 0 318.392 2.326 10 30 DEEERO C=C[C@H]1CCCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000428047134 527604414 /nfs/dbraw/zinc/60/44/14/527604414.db2.gz XSZOQHRAGBTSSZ-INIZCTEOSA-N 1 0 314.433 2.014 10 30 DEEERO CCO[C@@H]1C[C@H](NC(N[C@@H]2CCC[C@H]2C#N)=[NH+]C)C12CCC2 ZINC000262459310 527905716 /nfs/dbraw/zinc/90/57/16/527905716.db2.gz XEYMUCSQHUFHKN-LJISPDSOSA-N 1 0 304.438 2.191 10 30 DEEERO CC1CCN(C(=[NH2+])NCc2ccn(Cc3ccccc3)n2)CC1 ZINC000261893551 528211345 /nfs/dbraw/zinc/21/13/45/528211345.db2.gz UJJMAVHQQJAMET-UHFFFAOYSA-N 1 0 311.433 2.478 10 30 DEEERO CC[NH+]=C(NCC1CCCC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262422352 528803780 /nfs/dbraw/zinc/80/37/80/528803780.db2.gz BOFRIFAAXRDTLQ-HNNXBMFYSA-N 1 0 303.454 2.365 10 30 DEEERO CC[NH+]=C(NCCc1noc(CC)n1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261783117 528807886 /nfs/dbraw/zinc/80/78/86/528807886.db2.gz QGTTWDFUKFBALM-OKILXGFUSA-N 1 0 319.453 2.262 10 30 DEEERO CC[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)N[C@@H]1C[C@@H]1C ZINC000262427438 528814415 /nfs/dbraw/zinc/81/44/15/528814415.db2.gz DCFFJNYGALGBQM-AEJSXWLSSA-N 1 0 301.843 2.398 10 30 DEEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]([NH3+])CCOC ZINC000052808305 625327690 /nfs/dbraw/zinc/32/76/90/625327690.db2.gz GHIPCKWHNFVTEA-LLVKDONJSA-N 1 0 302.827 2.280 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1ccccc1I ZINC000308878833 624751752 /nfs/dbraw/zinc/75/17/52/624751752.db2.gz OVRCRXOLIRBSPN-LLVKDONJSA-N 1 0 317.170 2.318 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000156482877 625157293 /nfs/dbraw/zinc/15/72/93/625157293.db2.gz VURPIKTUAXAXIW-AWEZNQCLSA-N 1 0 318.373 2.414 10 30 DEEERO [NH2+]=C(NCCCCOCCc1ccccc1)NC[C@H]1CCCO1 ZINC000195522625 633129907 /nfs/dbraw/zinc/12/99/07/633129907.db2.gz YTMKUQIOWOVSEM-QGZVFWFLSA-N 1 0 319.449 2.109 10 30 DEEERO CC[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)Oc1ccccc1C ZINC000178562157 635793714 /nfs/dbraw/zinc/79/37/14/635793714.db2.gz RFMNAMZHOFDOPS-CABCVRRESA-N 1 0 305.422 2.236 10 30 DEEERO CN(C(=[NH2+])NCc1cccc(COC2CCOCC2)c1)C1CC1 ZINC000305833275 639469612 /nfs/dbraw/zinc/46/96/12/639469612.db2.gz VMQQYFDBPRHWAT-UHFFFAOYSA-N 1 0 317.433 2.291 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000805184877 640103398 /nfs/dbraw/zinc/10/33/98/640103398.db2.gz XJCPFWHSFQRRGX-RDJZCZTQSA-N 1 0 301.434 2.260 10 30 DEEERO C[C@@H](C#N)OCCOC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000801861840 645453316 /nfs/dbraw/zinc/45/33/16/645453316.db2.gz LSTDONUJDKDRRM-AWEZNQCLSA-N 1 0 302.374 2.368 10 30 DEEERO C=CCc1cc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c(O)c(OC)c1 ZINC000164138864 646419264 /nfs/dbraw/zinc/41/92/64/646419264.db2.gz YGFWPDLGLFPABA-MRXNPFEDSA-N 1 0 318.417 2.230 10 30 DEEERO COc1ccccc1[C@@H](O)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000172339017 646731003 /nfs/dbraw/zinc/73/10/03/646731003.db2.gz CVMGYLOWYMOUIC-INIZCTEOSA-N 1 0 322.368 2.038 10 30 DEEERO CC(C)Cn1ccnc1CNC(=[NH2+])NCCc1cccs1 ZINC000304758003 685259939 /nfs/dbraw/zinc/25/99/39/685259939.db2.gz PNCSSHUTDCWBSX-UHFFFAOYSA-N 1 0 305.451 2.248 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cnn2c1CCCC2 ZINC000125852301 684149052 /nfs/dbraw/zinc/14/90/52/684149052.db2.gz KENHAGLOMXCBAF-CQSZACIVSA-N 1 0 303.406 2.110 10 30 DEEERO C#CC[N@@H+](CC(=O)NCCOc1ccccc1)C1CCCC1 ZINC000155787061 684279826 /nfs/dbraw/zinc/27/98/26/684279826.db2.gz KMMLGUSOACGRNX-UHFFFAOYSA-N 1 0 300.402 2.059 10 30 DEEERO C=CCc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC000194720149 685075497 /nfs/dbraw/zinc/07/54/97/685075497.db2.gz URVSMOUASYAGPJ-HNNXBMFYSA-N 1 0 318.417 2.256 10 30 DEEERO CC[NH+]=C(NCc1cc(OC)c(O)c(OC)c1)NC(C)(C)C ZINC000303481528 685233507 /nfs/dbraw/zinc/23/35/07/685233507.db2.gz QILGKGASNWNSJI-UHFFFAOYSA-N 1 0 309.410 2.263 10 30 DEEERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NCc2cc(C#N)ccc2F)C1 ZINC000886082506 692000194 /nfs/dbraw/zinc/00/01/94/692000194.db2.gz JLDKPDKAKXBOSM-JQHSSLGASA-N 1 0 317.408 2.429 10 30 DEEERO Cc1ccc(NC(=O)[C@@H](C)[N+]23CCN(CC2)CC3)c(Cl)c1 ZINC000029225972 717117466 /nfs/dbraw/zinc/11/74/66/717117466.db2.gz WYZRNERJYKWNIQ-CYBMUJFWSA-O 1 0 308.833 2.121 10 30 DEEERO C=C(Br)C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724026741 787347047 /nfs/dbraw/zinc/34/70/47/787347047.db2.gz ZCPUPJYBENRFQL-ZCFIWIBFSA-N 1 0 312.076 2.433 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000612597246 361869226 /nfs/dbraw/zinc/86/92/26/361869226.db2.gz JIGZXDOCKDAITP-LBPRGKRZSA-N 1 0 319.357 2.255 10 30 DEEERO CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccc(C#CC[NH3+])cc1 ZINC000088310908 185245181 /nfs/dbraw/zinc/24/51/81/185245181.db2.gz UPRVXWOYCCSVBY-KGLIPLIRSA-N 1 0 308.447 2.100 10 30 DEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)CCC(F)(F)F ZINC000088834272 185266853 /nfs/dbraw/zinc/26/68/53/185266853.db2.gz WOWFRTRCIXOESF-UHFFFAOYSA-N 1 0 304.337 2.359 10 30 DEEERO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000092647795 185331501 /nfs/dbraw/zinc/33/15/01/185331501.db2.gz JHPMITABCPWUQG-AWEZNQCLSA-N 1 0 311.389 2.406 10 30 DEEERO C[N@H+](CC#Cc1ccccc1)CC(C)(C)CN1CCOCC1 ZINC000192125824 529822787 /nfs/dbraw/zinc/82/27/87/529822787.db2.gz ZVOSVKIAXHCKHC-UHFFFAOYSA-N 1 0 300.446 2.328 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000625525062 365814612 /nfs/dbraw/zinc/81/46/12/365814612.db2.gz QGYXDODJNDCWJO-CABCVRRESA-N 1 0 323.481 2.036 10 30 DEEERO C[NH+](C)Cc1ccc2c(c1)C(C#N)N(Cc1cccnc1)C2=O ZINC000071680479 191004938 /nfs/dbraw/zinc/00/49/38/191004938.db2.gz NLZXBFVINGFCLX-QGZVFWFLSA-N 1 0 306.369 2.364 10 30 DEEERO C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000133675348 186006072 /nfs/dbraw/zinc/00/60/72/186006072.db2.gz KMVSEAYUSANOAB-NEPJUHHUSA-N 1 0 306.406 2.102 10 30 DEEERO N#Cc1ccc(OC[C@@H](O)C[NH2+]CCc2ccsc2)cc1 ZINC000044349614 354234027 /nfs/dbraw/zinc/23/40/27/354234027.db2.gz VLCRTQPQYSHDRX-HNNXBMFYSA-N 1 0 302.399 2.192 10 30 DEEERO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCc1ccsc1 ZINC000049180556 354358705 /nfs/dbraw/zinc/35/87/05/354358705.db2.gz GWYOJGAGLZAVAE-OAHLLOKOSA-N 1 0 302.399 2.192 10 30 DEEERO C=CCOCC[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000385430388 540126516 /nfs/dbraw/zinc/12/65/16/540126516.db2.gz MEQOFIZUFHOVIR-UHFFFAOYSA-N 1 0 314.179 2.470 10 30 DEEERO N#Cc1cc2c(nc1NC[C@@H](O)C[NH+]1CCCCC1)CCCC2 ZINC000160585832 283117870 /nfs/dbraw/zinc/11/78/70/283117870.db2.gz CZSJZMIZTOYRNF-MRXNPFEDSA-N 1 0 314.433 2.091 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(=O)NCc1ccco1 ZINC000595605358 358498315 /nfs/dbraw/zinc/49/83/15/358498315.db2.gz XCTUNKXMVIEFNW-HIFRSBDPSA-N 1 0 319.405 2.330 10 30 DEEERO C=CC[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000595602071 358497882 /nfs/dbraw/zinc/49/78/82/358497882.db2.gz HELHBFVVJOSFHV-DZGCQCFKSA-N 1 0 305.378 2.481 10 30 DEEERO CCOCC[N@@H+]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000246471280 356313940 /nfs/dbraw/zinc/31/39/40/356313940.db2.gz QBPOKKQTZLEMIL-MRXNPFEDSA-N 1 0 304.409 2.220 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000580952685 357107225 /nfs/dbraw/zinc/10/72/25/357107225.db2.gz PSVUQEFTZNPYAQ-CVEARBPZSA-N 1 0 301.386 2.106 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000581006269 357115614 /nfs/dbraw/zinc/11/56/14/357115614.db2.gz ZSSJCUPDSSPKGV-ZLDLUXBVSA-N 1 0 302.374 2.259 10 30 DEEERO [NH2+]=C(NC[C@H]1CCCO1)NCC1(c2ccccc2Cl)CC1 ZINC000261976247 283260386 /nfs/dbraw/zinc/26/03/86/283260386.db2.gz VITYUNBZVOLGDT-GFCCVEGCSA-N 1 0 307.825 2.455 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000591669291 357750121 /nfs/dbraw/zinc/75/01/21/357750121.db2.gz OAVCNPPXYCLQEA-CQSZACIVSA-N 1 0 303.362 2.107 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2Cc3cccc(C#N)c3C2)CC1 ZINC000593340617 358057822 /nfs/dbraw/zinc/05/78/22/358057822.db2.gz ZXGGCAVJAIAAKH-UHFFFAOYSA-N 1 0 310.401 2.234 10 30 DEEERO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCC1(C[NH3+])CC1 ZINC000593714785 358128822 /nfs/dbraw/zinc/12/88/22/358128822.db2.gz BCKMPWKCBUKCOM-UHFFFAOYSA-N 1 0 312.417 2.385 10 30 DEEERO C=CCOc1cccc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000180228002 199133352 /nfs/dbraw/zinc/13/33/52/199133352.db2.gz OEBIOTCBFLGFHX-LPHOPBHVSA-N 1 0 316.445 2.404 10 30 DEEERO C=CCC[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595765711 358543674 /nfs/dbraw/zinc/54/36/74/358543674.db2.gz VETQXRXGZKBIAN-KRWDZBQOSA-N 1 0 300.402 2.481 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000599526118 359516238 /nfs/dbraw/zinc/51/62/38/359516238.db2.gz FEUPZHJIDWOQBQ-CYBMUJFWSA-N 1 0 302.374 2.310 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602680984 360495314 /nfs/dbraw/zinc/49/53/14/360495314.db2.gz IZHJOLVXIBCJHZ-HIFRSBDPSA-N 1 0 321.421 2.199 10 30 DEEERO CC1CC[NH+](CCCCNC(=O)c2ccnc(C#N)c2)CC1 ZINC000192715090 200927975 /nfs/dbraw/zinc/92/79/75/200927975.db2.gz SAXBCZNRQCIRHO-UHFFFAOYSA-N 1 0 300.406 2.195 10 30 DEEERO N#Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000609240615 361291783 /nfs/dbraw/zinc/29/17/83/361291783.db2.gz WQRLPQQNVCDVFW-HZPDHXFCSA-N 1 0 316.380 2.123 10 30 DEEERO CC(C)[NH2+][C@H]1CCCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000619670773 363851764 /nfs/dbraw/zinc/85/17/64/363851764.db2.gz YHRFDXCNQGOIQN-GPANFISMSA-N 1 0 306.454 2.488 10 30 DEEERO C=CCC1(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCCC1 ZINC000620475493 364061640 /nfs/dbraw/zinc/06/16/40/364061640.db2.gz QKTXGAXQVOTOSE-MRXNPFEDSA-N 1 0 306.450 2.181 10 30 DEEERO C[NH+](C)C1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000211558315 201441159 /nfs/dbraw/zinc/44/11/59/201441159.db2.gz XSNNGHONUCJUFN-UHFFFAOYSA-N 1 0 309.211 2.246 10 30 DEEERO C=CC(C)(C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000623638353 365114167 /nfs/dbraw/zinc/11/41/67/365114167.db2.gz BDQQAGSVPOAHMX-OAHLLOKOSA-N 1 0 322.497 2.056 10 30 DEEERO C=CCCCC[C@@H](C)[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000624082149 365280135 /nfs/dbraw/zinc/28/01/35/365280135.db2.gz NSMLZZBYUNNOJF-AEFFLSMTSA-N 1 0 310.482 2.327 10 30 DEEERO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624117856 365295377 /nfs/dbraw/zinc/29/53/77/365295377.db2.gz XHDHQGNATUJSEC-HUUCEWRRSA-N 1 0 314.437 2.428 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)c1cncnc1)C(C)C ZINC000629947944 367389522 /nfs/dbraw/zinc/38/95/22/367389522.db2.gz YXIHTCZOVPNZRI-RDJZCZTQSA-N 1 0 316.449 2.395 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(C[C@H](c2ccccc2)[NH+](C)C)C1=O ZINC000630965042 367939133 /nfs/dbraw/zinc/93/91/33/367939133.db2.gz NHWFNJAVNRLECJ-LSDHHAIUSA-N 1 0 301.390 2.176 10 30 DEEERO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC23CCCC3)nc1 ZINC000451464654 243001300 /nfs/dbraw/zinc/00/13/00/243001300.db2.gz ZICOKUFIVTZQNG-CQSZACIVSA-N 1 0 319.430 2.039 10 30 DEEERO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(C#N)n1C ZINC000451693671 243317146 /nfs/dbraw/zinc/31/71/46/243317146.db2.gz JEWGAKWMLZJQSR-UHFFFAOYSA-N 1 0 302.422 2.235 10 30 DEEERO CCCN(CC(=O)Nc1sccc1C#N)CC(C)(C)C[NH3+] ZINC000093891824 193323833 /nfs/dbraw/zinc/32/38/33/193323833.db2.gz VKBMOIYWEYIZIE-UHFFFAOYSA-N 1 0 308.451 2.255 10 30 DEEERO OCCC#Cc1ccsc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094441001 193369597 /nfs/dbraw/zinc/36/95/97/193369597.db2.gz HEIXGKABYSEHNB-MRXNPFEDSA-N 1 0 304.459 2.152 10 30 DEEERO Cc1cc(C(=O)N[C@H](C)Cc2ccco2)sc1C#CC[NH3+] ZINC000094536453 193378418 /nfs/dbraw/zinc/37/84/18/193378418.db2.gz GWNBTHCMUMBJKX-GFCCVEGCSA-N 1 0 302.399 2.321 10 30 DEEERO Cc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)o1 ZINC000023408621 182359969 /nfs/dbraw/zinc/35/99/69/182359969.db2.gz XEMGVAFUHPCIRY-HNNXBMFYSA-N 1 0 300.358 2.331 10 30 DEEERO C=CCNc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040708944 183121110 /nfs/dbraw/zinc/12/11/10/183121110.db2.gz NMRCNJMCHFCHLX-UHFFFAOYSA-N 1 0 304.442 2.378 10 30 DEEERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)N(CCC#N)C2CC2)c1 ZINC000042549788 183283845 /nfs/dbraw/zinc/28/38/45/183283845.db2.gz FCMKSRZYIPGNNP-HNNXBMFYSA-N 1 0 307.419 2.163 10 30 DEEERO N#Cc1cccc(OCC[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000105805825 194133457 /nfs/dbraw/zinc/13/34/57/194133457.db2.gz HZZPFDSLWSMMHB-UHFFFAOYSA-N 1 0 323.400 2.304 10 30 DEEERO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000285001673 218252810 /nfs/dbraw/zinc/25/28/10/218252810.db2.gz YHCLNVIZYPSXMI-SQNIBIBYSA-N 1 0 318.392 2.449 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000106111550 194188211 /nfs/dbraw/zinc/18/82/11/194188211.db2.gz HUUXHKLEOAPMBK-AWEZNQCLSA-N 1 0 305.397 2.240 10 30 DEEERO C[C@H](NC(=O)c1cc(Cl)c[nH]1)c1cccc(C#CC[NH3+])c1 ZINC000049587094 183744615 /nfs/dbraw/zinc/74/46/15/183744615.db2.gz FNEXTEAUJIROTL-NSHDSACASA-N 1 0 301.777 2.469 10 30 DEEERO [NH3+]CC#Cc1csc(CSc2nnc3ccccn32)c1 ZINC000061407640 184170014 /nfs/dbraw/zinc/17/00/14/184170014.db2.gz AGKLTBNAJYZZOO-UHFFFAOYSA-N 1 0 300.412 2.393 10 30 DEEERO C[NH2+][C@@H](C)c1ccc(-n2cnc(C#N)n2)c(Br)c1 ZINC000061842298 184189619 /nfs/dbraw/zinc/18/96/19/184189619.db2.gz OWTPBNCMRAEAKL-QMMMGPOBSA-N 1 0 306.167 2.182 10 30 DEEERO COCCC[NH+]1[C@@H](C)CN(C(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000062180877 184213539 /nfs/dbraw/zinc/21/35/39/184213539.db2.gz PRNJNVINYOEUMX-GJZGRUSLSA-N 1 0 315.417 2.130 10 30 DEEERO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(C#CCCO)s2)C1 ZINC000062967928 184263657 /nfs/dbraw/zinc/26/36/57/184263657.db2.gz WJHJZIBMMQGORV-OAHLLOKOSA-N 1 0 306.475 2.398 10 30 DEEERO OCC#Cc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)s1 ZINC000062982336 184264228 /nfs/dbraw/zinc/26/42/28/184264228.db2.gz YVTLFUMIYFMLJP-HNNXBMFYSA-N 1 0 304.459 2.152 10 30 DEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)N1CCSC(C)(C)C1 ZINC000159027655 197319975 /nfs/dbraw/zinc/31/99/75/197319975.db2.gz WBNOIKGPNOPVRR-UHFFFAOYSA-N 1 0 302.443 2.273 10 30 DEEERO C=C[C@@](C)(C[NH2+]C(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000158830559 197304204 /nfs/dbraw/zinc/30/42/04/197304204.db2.gz VQBWMEMKWOKBIM-LSDHHAIUSA-N 1 0 302.484 2.238 10 30 DEEERO C[NH+](C)C1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000127892947 195919457 /nfs/dbraw/zinc/91/94/57/195919457.db2.gz NFOUFKJZIIMYCG-UHFFFAOYSA-N 1 0 320.824 2.176 10 30 DEEERO Cc1[nH]c2ccccc2c1CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000103338635 533630646 /nfs/dbraw/zinc/63/06/46/533630646.db2.gz DDCMNEGRUUVGMW-ZDUSSCGKSA-N 1 0 300.406 2.102 10 30 DEEERO C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(C)(C)C[NH+](C)C ZINC000173050627 144837002 /nfs/dbraw/zinc/83/70/02/144837002.db2.gz JRJYFUFFSJIWDH-UONOGXRCSA-N 1 0 317.433 2.418 10 30 DEEERO N#Cc1ccc(CSCC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188632211 145015135 /nfs/dbraw/zinc/01/51/35/145015135.db2.gz ANGPRTZCGYKPJN-UHFFFAOYSA-N 1 0 315.442 2.098 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000249050831 145176708 /nfs/dbraw/zinc/17/67/08/145176708.db2.gz ATGMJBCNNXDEGG-PBHICJAKSA-N 1 0 309.413 2.285 10 30 DEEERO C[N@H+](CCCSCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000072517991 401710728 /nfs/dbraw/zinc/71/07/28/401710728.db2.gz BPYPNOSKUUDREB-HNNXBMFYSA-N 1 0 303.431 2.371 10 30 DEEERO C=CCC[C@@H](O)C[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000127735219 401748065 /nfs/dbraw/zinc/74/80/65/401748065.db2.gz DHIUQMMRNRUCNA-QGZVFWFLSA-N 1 0 320.481 2.083 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000076733917 401799709 /nfs/dbraw/zinc/79/97/09/401799709.db2.gz BIEZZCQBVCHUAF-UHFFFAOYSA-N 1 0 315.417 2.415 10 30 DEEERO C=CCNc1ncc(C(=O)N(C)C[C@H]2CCC[N@H+]2CC)s1 ZINC000129558978 401805655 /nfs/dbraw/zinc/80/56/55/401805655.db2.gz ZTPZLZATFVNFIY-GFCCVEGCSA-N 1 0 308.451 2.297 10 30 DEEERO CCN(CC)c1ccc(/C=[NH+]/C[C@@H](C)N2CCOCC2)c(O)c1 ZINC000075533294 401761945 /nfs/dbraw/zinc/76/19/45/401761945.db2.gz QJMCCHUYWBRUAT-WBFOAEISSA-N 1 0 319.449 2.378 10 30 DEEERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000075609783 401764125 /nfs/dbraw/zinc/76/41/25/401764125.db2.gz ZGWBWIHMBHGAJV-KBPBESRZSA-N 1 0 303.406 2.172 10 30 DEEERO C=CCNC(=O)[C@@H](C)N1CCc2cccc(Br)c2C1 ZINC000118411097 401897475 /nfs/dbraw/zinc/89/74/75/401897475.db2.gz LBFBSBVKNNSJFG-LLVKDONJSA-N 1 0 323.234 2.498 10 30 DEEERO C=CCNc1ncc(C(=O)NCC[N@H+]2CCCC[C@H]2C)s1 ZINC000136167040 401961766 /nfs/dbraw/zinc/96/17/66/401961766.db2.gz SHISVWVCBKTZAL-GFCCVEGCSA-N 1 0 308.451 2.345 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000051952807 402037760 /nfs/dbraw/zinc/03/77/60/402037760.db2.gz NTNAJXSRIOROOI-INIZCTEOSA-N 1 0 305.466 2.136 10 30 DEEERO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)CCN1C ZINC000123201285 402116166 /nfs/dbraw/zinc/11/61/66/402116166.db2.gz GFVUQIHCNVRZDM-HOCLYGCPSA-N 1 0 314.433 2.301 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)cc1C#N ZINC000153448498 402145474 /nfs/dbraw/zinc/14/54/74/402145474.db2.gz RCMNWMPCBNNBHL-BXUZGUMPSA-N 1 0 302.353 2.398 10 30 DEEERO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C#N)c1 ZINC000067122791 402153184 /nfs/dbraw/zinc/15/31/84/402153184.db2.gz NSGLERQNPFINST-SFHVURJKSA-N 1 0 307.397 2.347 10 30 DEEERO CC1(C)CN(c2cnc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000123861273 402150513 /nfs/dbraw/zinc/15/05/13/402150513.db2.gz KWIPMQOSKPKAHR-UHFFFAOYSA-N 1 0 307.401 2.449 10 30 DEEERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(OCC#N)cc1 ZINC000069768024 402243226 /nfs/dbraw/zinc/24/32/26/402243226.db2.gz DAMZRTFEIKEDRC-AWEZNQCLSA-N 1 0 318.421 2.118 10 30 DEEERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000160708251 402358110 /nfs/dbraw/zinc/35/81/10/402358110.db2.gz UBLAGVBSSQUNHE-CVEARBPZSA-N 1 0 300.406 2.377 10 30 DEEERO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186015998 402396598 /nfs/dbraw/zinc/39/65/98/402396598.db2.gz LERJNXYNEYGIJL-WWGRRREGSA-N 1 0 310.405 2.280 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000186199567 402409846 /nfs/dbraw/zinc/40/98/46/402409846.db2.gz PPQAREVXKGRIAF-ZBFHGGJFSA-N 1 0 319.449 2.352 10 30 DEEERO C=CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000162588480 402425584 /nfs/dbraw/zinc/42/55/84/402425584.db2.gz RNTHIEPDCYZARB-IRXDYDNUSA-N 1 0 322.497 2.151 10 30 DEEERO C=CCOc1cccc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000245768175 402487160 /nfs/dbraw/zinc/48/71/60/402487160.db2.gz RDFBAXMEWIWGOX-HOTGVXAUSA-N 1 0 304.434 2.138 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246977992 402551861 /nfs/dbraw/zinc/55/18/61/402551861.db2.gz JMAGDBZRUOZNPI-JSGCOSHPSA-N 1 0 320.462 2.220 10 30 DEEERO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000178676987 402525505 /nfs/dbraw/zinc/52/55/05/402525505.db2.gz BSZZKCJPPVKWMH-SWLSCSKDSA-N 1 0 318.377 2.396 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246403041 402529068 /nfs/dbraw/zinc/52/90/68/402529068.db2.gz APBBGMXEMBJZPA-YOEHRIQHSA-N 1 0 314.433 2.159 10 30 DEEERO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171619350 402602187 /nfs/dbraw/zinc/60/21/87/402602187.db2.gz AOHIOUFNFVMZSA-MRXNPFEDSA-N 1 0 311.389 2.256 10 30 DEEERO N#Cc1ccccc1NC(=O)CCN1CCC[N@@H+](C2CC2)CC1 ZINC000172346365 402651274 /nfs/dbraw/zinc/65/12/74/402651274.db2.gz LAEPBDOIQYEUJX-UHFFFAOYSA-N 1 0 312.417 2.057 10 30 DEEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182348495 402682869 /nfs/dbraw/zinc/68/28/69/402682869.db2.gz KYULAMBURHSWDM-CFVMTHIKSA-N 1 0 304.438 2.414 10 30 DEEERO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000194690977 402810657 /nfs/dbraw/zinc/81/06/57/402810657.db2.gz MGNRMWWTWUZLFJ-RDJZCZTQSA-N 1 0 315.417 2.172 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000184268939 402831438 /nfs/dbraw/zinc/83/14/38/402831438.db2.gz RIAKJANGCYJQEP-SNVBAGLBSA-N 1 0 310.760 2.086 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000183643144 402784817 /nfs/dbraw/zinc/78/48/17/402784817.db2.gz PPPVRFPFSSXLKL-NVXWUHKLSA-N 1 0 319.449 2.133 10 30 DEEERO C=CCn1nnnc1S[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282865036 403162971 /nfs/dbraw/zinc/16/29/71/403162971.db2.gz BSEIQVVNDOQLHF-CQSZACIVSA-N 1 0 301.419 2.226 10 30 DEEERO C#CCC(CC#C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000277620438 403237803 /nfs/dbraw/zinc/23/78/03/403237803.db2.gz YLCZEIMALPYAGE-UHFFFAOYSA-N 1 0 308.425 2.430 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000277780146 403255888 /nfs/dbraw/zinc/25/58/88/403255888.db2.gz UEMGUWJDAQKNLP-MRXNPFEDSA-N 1 0 300.402 2.442 10 30 DEEERO CC[N@@H+]1CC[C@H]2OCCN(c3ncc(Cl)c(C)c3C#N)[C@H]2C1 ZINC000292784621 403378605 /nfs/dbraw/zinc/37/86/05/403378605.db2.gz MBTFSLPIOCMPSF-LSDHHAIUSA-N 1 0 320.824 2.215 10 30 DEEERO C[NH+](C)CCN(Cc1cccc(C#N)c1)c1cccc(C#N)n1 ZINC000301880087 403695408 /nfs/dbraw/zinc/69/54/08/403695408.db2.gz ZQADVSRWFHYVNI-UHFFFAOYSA-N 1 0 305.385 2.393 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](CCCC2CCCCC2)CC1 ZINC000347669171 403798560 /nfs/dbraw/zinc/79/85/60/403798560.db2.gz JBWACKYBNYYZMJ-UHFFFAOYSA-N 1 0 307.482 2.267 10 30 DEEERO C#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)cc1 ZINC000290200735 404079470 /nfs/dbraw/zinc/07/94/70/404079470.db2.gz CZPVHMVGIJCAJX-IBGZPJMESA-N 1 0 306.409 2.457 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000344301439 404041199 /nfs/dbraw/zinc/04/11/99/404041199.db2.gz KJJCMBQBLBQPQS-HNNXBMFYSA-N 1 0 309.431 2.308 10 30 DEEERO C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)O1 ZINC000329063142 404217257 /nfs/dbraw/zinc/21/72/57/404217257.db2.gz ZRJXNRGAHXNBPX-BFJAYTPKSA-N 1 0 320.437 2.327 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C1 ZINC000328990234 404192111 /nfs/dbraw/zinc/19/21/11/404192111.db2.gz VEJMWTGLVKJHIF-KBUPBQIOSA-N 1 0 320.437 2.183 10 30 DEEERO C#CCCOc1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1 ZINC000296556469 404304422 /nfs/dbraw/zinc/30/44/22/404304422.db2.gz PEEUXMMTUGQBNR-HUUCEWRRSA-N 1 0 300.402 2.253 10 30 DEEERO CCC[C@]1(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCOC1 ZINC000329536074 404368073 /nfs/dbraw/zinc/36/80/73/404368073.db2.gz LTVJOTVUHYZMPW-BTFYYFJDSA-N 1 0 309.454 2.465 10 30 DEEERO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(c3ccccc3)C2=O)CC[N@@H+]1C ZINC000329601963 404388566 /nfs/dbraw/zinc/38/85/66/404388566.db2.gz XUPQXXLVKUMMGG-KCQAQPDRSA-N 1 0 301.390 2.089 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCC2(C(F)(F)F)CC2)CC1 ZINC000345025689 404505422 /nfs/dbraw/zinc/50/54/22/404505422.db2.gz WWBKQPRSJUHSHX-UHFFFAOYSA-N 1 0 305.344 2.279 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@](C)(O)CC1 ZINC000329984903 404517191 /nfs/dbraw/zinc/51/71/91/404517191.db2.gz QSMCXGFVNQRDKL-NVXWUHKLSA-N 1 0 311.470 2.258 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000342219973 404449642 /nfs/dbraw/zinc/44/96/42/404449642.db2.gz SJZUYEKPYGTTBV-CQSZACIVSA-N 1 0 309.431 2.166 10 30 DEEERO CN1CC[C@H]([NH2+]CC(=O)NC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000329788629 404452502 /nfs/dbraw/zinc/45/25/02/404452502.db2.gz RYHVIBTYKZDXFD-RDJZCZTQSA-N 1 0 312.417 2.424 10 30 DEEERO C[C@H]1OCC[C@H]1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000330201387 404584152 /nfs/dbraw/zinc/58/41/52/404584152.db2.gz XRVLTBNHOGATEZ-CZUORRHYSA-N 1 0 309.454 2.322 10 30 DEEERO C(#Cc1ccccc1)C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000365260063 404589366 /nfs/dbraw/zinc/58/93/66/404589366.db2.gz SBKGBRYRSWXBHX-UHFFFAOYSA-N 1 0 306.413 2.455 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000297705504 404597710 /nfs/dbraw/zinc/59/77/10/404597710.db2.gz RPGQNFUHYWXXSL-ROUUACIJSA-N 1 0 311.429 2.294 10 30 DEEERO CC[C@]1(CO)CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000330275637 404611333 /nfs/dbraw/zinc/61/13/33/404611333.db2.gz LUARUVFYVMWPAD-MMNRESRNSA-N 1 0 323.481 2.400 10 30 DEEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000374071387 404685087 /nfs/dbraw/zinc/68/50/87/404685087.db2.gz ZAKWGPOHRSUBAR-PILAGYSTSA-N 1 0 300.402 2.481 10 30 DEEERO C=CCOCCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000360640184 404833326 /nfs/dbraw/zinc/83/33/26/404833326.db2.gz XFPSYEDYVKLLDW-QGZVFWFLSA-N 1 0 317.433 2.105 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000424934545 405215142 /nfs/dbraw/zinc/21/51/42/405215142.db2.gz VRKUBSGMGYAHKF-ZOBUZTSGSA-N 1 0 306.450 2.348 10 30 DEEERO C=CCOc1ccccc1C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425371136 405281753 /nfs/dbraw/zinc/28/17/53/405281753.db2.gz KVLOGQPRGSZBHN-UHFFFAOYSA-N 1 0 315.417 2.241 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1=CCOCC1)C(C)C ZINC000455222469 405388384 /nfs/dbraw/zinc/38/83/84/405388384.db2.gz JDDLHSUIQHDJJS-KRWDZBQOSA-N 1 0 321.465 2.331 10 30 DEEERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)n2C)C1 ZINC000448774988 405447136 /nfs/dbraw/zinc/44/71/36/405447136.db2.gz PAVWCNDYASCDMK-GDBMZVCRSA-N 1 0 322.412 2.462 10 30 DEEERO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(C#N)n2C)C1 ZINC000448826383 405452722 /nfs/dbraw/zinc/45/27/22/405452722.db2.gz XHGXVVHXZMBEME-FMKPAKJESA-N 1 0 314.433 2.374 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000528029457 405483549 /nfs/dbraw/zinc/48/35/49/405483549.db2.gz ZVNXAVBLUXSXIF-XIRDDKMYSA-N 1 0 321.465 2.284 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)C1 ZINC000638473599 405494868 /nfs/dbraw/zinc/49/48/68/405494868.db2.gz CRQUBQFYFLPCEI-ZMSDIMECSA-N 1 0 302.418 2.344 10 30 DEEERO C=CCC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000458591710 405502465 /nfs/dbraw/zinc/50/24/65/405502465.db2.gz SNBMHTPTYNVVJW-IXDOHACOSA-N 1 0 317.433 2.058 10 30 DEEERO C=CCOc1ccccc1C[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000449364525 405525276 /nfs/dbraw/zinc/52/52/76/405525276.db2.gz RFJKFTMDCKTOOB-WMZOPIPTSA-N 1 0 302.418 2.156 10 30 DEEERO C=C(C)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635819287 405532481 /nfs/dbraw/zinc/53/24/81/405532481.db2.gz ZQBXFTJMFXATMI-PKOBYXMFSA-N 1 0 314.429 2.217 10 30 DEEERO C=CCNC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)nc1 ZINC000528212343 405533635 /nfs/dbraw/zinc/53/36/35/405533635.db2.gz WJDZORHASCUMLU-INIZCTEOSA-N 1 0 314.433 2.426 10 30 DEEERO C=CCOc1ccc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000638655109 405598470 /nfs/dbraw/zinc/59/84/70/405598470.db2.gz UWYVPZWSZIYBPG-OCCSQVGLSA-N 1 0 304.390 2.130 10 30 DEEERO C=CCc1cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)cc(OC)c1O ZINC000449677745 405685630 /nfs/dbraw/zinc/68/56/30/405685630.db2.gz NVGMTHKQOCLPCY-CZUORRHYSA-N 1 0 321.417 2.101 10 30 DEEERO C=CCCc1ccccc1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000528690227 405712447 /nfs/dbraw/zinc/71/24/47/405712447.db2.gz OBOUZAAZSOOVDJ-UHFFFAOYSA-N 1 0 303.406 2.435 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2nnc([C@H]3CCCO3)s2)CCC[NH2+]1 ZINC000639022185 405825459 /nfs/dbraw/zinc/82/54/59/405825459.db2.gz YSJQSWYWZJJCDH-YGRLFVJLSA-N 1 0 308.407 2.026 10 30 DEEERO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530025190 405771673 /nfs/dbraw/zinc/77/16/73/405771673.db2.gz ZYOKBROBIWRNEP-OAHLLOKOSA-N 1 0 315.417 2.393 10 30 DEEERO C=CCC(C)(C)C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000639208074 405973253 /nfs/dbraw/zinc/97/32/53/405973253.db2.gz WRHSJXYMDNDBIW-UHFFFAOYSA-N 1 0 302.484 2.429 10 30 DEEERO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636726274 406064043 /nfs/dbraw/zinc/06/40/43/406064043.db2.gz MPJJOAGUEUCHTG-OAHLLOKOSA-N 1 0 323.481 2.180 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000564880240 406067520 /nfs/dbraw/zinc/06/75/20/406067520.db2.gz JGNVASUWHCEHGB-UGUYLWEFSA-N 1 0 309.454 2.140 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000637090726 406173998 /nfs/dbraw/zinc/17/39/98/406173998.db2.gz VRNMTSOWILCIRQ-HZPDHXFCSA-N 1 0 309.454 2.095 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000637623337 406369865 /nfs/dbraw/zinc/36/98/65/406369865.db2.gz ACNADUMYTGFUAK-INIZCTEOSA-N 1 0 323.481 2.343 10 30 DEEERO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000571283712 406501305 /nfs/dbraw/zinc/50/13/05/406501305.db2.gz YRODSUMIDRFAMR-IHRRRGAJSA-N 1 0 309.431 2.412 10 30 DEEERO N#Cc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c(F)c1 ZINC000549260612 406581186 /nfs/dbraw/zinc/58/11/86/406581186.db2.gz DPPOEIUXNOJEDO-NVXWUHKLSA-N 1 0 318.392 2.355 10 30 DEEERO C=CCCNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638407101 406753704 /nfs/dbraw/zinc/75/37/04/406753704.db2.gz SQUHJNQFCNHIRR-UHFFFAOYSA-N 1 0 301.434 2.062 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000576578380 406831849 /nfs/dbraw/zinc/83/18/49/406831849.db2.gz PVYINNVIZKNVSW-BQFCYCMXSA-N 1 0 305.418 2.306 10 30 DEEERO C[NH2+][C@H](C)c1ccc(Br)cc1N1CCO[C@H](C#N)C1 ZINC000129025288 196013364 /nfs/dbraw/zinc/01/33/64/196013364.db2.gz GGBGKYXWGRHIAA-ZYHUDNBSSA-N 1 0 324.222 2.458 10 30 DEEERO Cc1csc(CNC(=O)c2ccc(C#CC[NH3+])c(Cl)c2)n1 ZINC000129080841 196017314 /nfs/dbraw/zinc/01/73/14/196017314.db2.gz VNNHMCMPNGTTMN-UHFFFAOYSA-N 1 0 319.817 2.345 10 30 DEEERO CCOCCN(CC)C(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129154127 196023394 /nfs/dbraw/zinc/02/33/94/196023394.db2.gz GJLWEKSUCDFGRQ-UHFFFAOYSA-N 1 0 308.809 2.149 10 30 DEEERO C=CCN(C1CC1)S(=O)(=O)c1cc(C[NH3+])ccc1Cl ZINC000132307950 196244239 /nfs/dbraw/zinc/24/42/39/196244239.db2.gz ZRFRURJRPQMDRL-UHFFFAOYSA-N 1 0 300.811 2.138 10 30 DEEERO C[C@]1(C(=O)Nc2ccc(Br)cc2C#N)CC[NH2+]C1 ZINC000132446317 196255805 /nfs/dbraw/zinc/25/58/05/196255805.db2.gz TZMFRUQZBYHASB-ZDUSSCGKSA-N 1 0 308.179 2.259 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000132442053 196256034 /nfs/dbraw/zinc/25/60/34/196256034.db2.gz DGDBHYJOFRYOHK-SECBINFHSA-N 1 0 308.179 2.259 10 30 DEEERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Br)cc1C#N ZINC000132446722 196256583 /nfs/dbraw/zinc/25/65/83/196256583.db2.gz BQTQZFNVCFRJNY-KCJUWKMLSA-N 1 0 308.179 2.115 10 30 DEEERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(Br)cc1C#N ZINC000132454270 196257319 /nfs/dbraw/zinc/25/73/19/196257319.db2.gz MOPMTFIEDWNRPF-KCJUWKMLSA-N 1 0 308.179 2.257 10 30 DEEERO COCc1ccccc1NC(=[NH2+])NC[C@@H]1COC2(CCCC2)O1 ZINC000262354081 225269544 /nfs/dbraw/zinc/26/95/44/225269544.db2.gz JKDSTORPHDGTHW-CQSZACIVSA-N 1 0 319.405 2.245 10 30 DEEERO [NH2+]=C(NCc1cccc(-c2cccnc2)c1)NC[C@@H]1CCCO1 ZINC000262374256 225270751 /nfs/dbraw/zinc/27/07/51/225270751.db2.gz JCUZEMKGMLPCNA-KRWDZBQOSA-N 1 0 310.401 2.332 10 30 DEEERO Cc1oc2ccccc2c1CCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262475681 225273435 /nfs/dbraw/zinc/27/34/35/225273435.db2.gz QBNVROZAFBFIST-GFCCVEGCSA-N 1 0 301.390 2.319 10 30 DEEERO [NH2+]=C(NC[C@H]1CCCO1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262785901 225284955 /nfs/dbraw/zinc/28/49/55/225284955.db2.gz JPPBYAMPRTWFDF-KCPJHIHWSA-N 1 0 309.360 2.294 10 30 DEEERO CCn1cc([C@@H]2OCC[C@H]2CNC(=[NH2+])N2CCCCCC2)cn1 ZINC000263136945 225292169 /nfs/dbraw/zinc/29/21/69/225292169.db2.gz NSJCIAQWGOKXQS-GOEBONIOSA-N 1 0 319.453 2.171 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000333739557 226110203 /nfs/dbraw/zinc/11/02/03/226110203.db2.gz IRAATVPBVQGDEI-CWRNSKLLSA-N 1 0 304.438 2.242 10 30 DEEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634695 424808575 /nfs/dbraw/zinc/80/85/75/424808575.db2.gz VPKGEPUIIXYKAQ-ZYHUDNBSSA-N 1 0 314.838 2.293 10 30 DEEERO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000407470395 424933028 /nfs/dbraw/zinc/93/30/28/424933028.db2.gz YRPBNUSZQQXPDY-HZPDHXFCSA-N 1 0 313.401 2.072 10 30 DEEERO C#CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000377723156 424903553 /nfs/dbraw/zinc/90/35/53/424903553.db2.gz WSLPFMVOGLHWMS-MRXNPFEDSA-N 1 0 322.412 2.450 10 30 DEEERO C=CCNc1ncc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)s1 ZINC000432928206 425019019 /nfs/dbraw/zinc/01/90/19/425019019.db2.gz QNEROVOYOZDWMA-STQMWFEESA-N 1 0 322.478 2.734 10 30 DEEERO CC1=CC[N@H+](CCNc2ncc(Br)cc2C#N)CC1 ZINC000450436105 425073703 /nfs/dbraw/zinc/07/37/03/425073703.db2.gz GEIXTZJYQFZRGS-UHFFFAOYSA-N 1 0 321.222 2.780 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000124031210 275747010 /nfs/dbraw/zinc/74/70/10/275747010.db2.gz SNGPADAXARRQPD-CHWSQXEVSA-N 1 0 303.406 2.300 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000185162101 275749158 /nfs/dbraw/zinc/74/91/58/275749158.db2.gz LEYQXPJNBNNHIB-SJORKVTESA-N 1 0 317.433 2.060 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328735188 276175846 /nfs/dbraw/zinc/17/58/46/276175846.db2.gz IVHQXEUGAHGDNJ-STQMWFEESA-N 1 0 308.426 2.016 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000362807408 277793276 /nfs/dbraw/zinc/79/32/76/277793276.db2.gz HDCSKOSINCGBQD-GUTXKFCHSA-N 1 0 308.447 2.448 10 30 DEEERO C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000337528737 277837950 /nfs/dbraw/zinc/83/79/50/277837950.db2.gz COKUKJQOHUNZFH-SOUVJXGZSA-N 1 0 302.484 2.429 10 30 DEEERO C=CCNC(=O)[C@@H](C)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000159476348 332139718 /nfs/dbraw/zinc/13/97/18/332139718.db2.gz VPHSHSUVBVXIDS-LSDHHAIUSA-N 1 0 319.424 2.195 10 30 DEEERO N#CCCCS(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000111326014 332304465 /nfs/dbraw/zinc/30/44/65/332304465.db2.gz OJKWKJILPRDXFK-UHFFFAOYSA-N 1 0 321.446 2.006 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000569931976 332694895 /nfs/dbraw/zinc/69/48/95/332694895.db2.gz RPKIKYUBIIUYFN-FOZYDTHFSA-N 1 0 307.438 2.191 10 30 DEEERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000328623644 534317915 /nfs/dbraw/zinc/31/79/15/534317915.db2.gz CAKXJBIPIULCPD-SWLSCSKDSA-N 1 0 302.403 2.221 10 30 DEEERO CC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccccc21 ZINC000365144182 519627891 /nfs/dbraw/zinc/62/78/91/519627891.db2.gz XYLZPEZKTOQPKV-KRWDZBQOSA-N 1 0 308.385 2.484 10 30 DEEERO Cc1noc([C@@H]2CC[C@H](CNC(=[NH2+])NC3CCCCCC3)O2)n1 ZINC000262812064 534462478 /nfs/dbraw/zinc/46/24/78/534462478.db2.gz UOAHMQCXBMMSGA-KGLIPLIRSA-N 1 0 321.425 2.225 10 30 DEEERO CN/C(=[NH+]/C)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000261671281 526344773 /nfs/dbraw/zinc/34/47/73/526344773.db2.gz CAQVTGXWSCYOCP-GFCCVEGCSA-N 1 0 301.312 2.284 10 30 DEEERO C[NH+]=C(NCC1(C)CC1)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261967251 526350822 /nfs/dbraw/zinc/35/08/22/526350822.db2.gz LTQHJAJIRMSNHE-CQSZACIVSA-N 1 0 303.454 2.286 10 30 DEEERO C[NH+]=C(NCCC(F)(F)F)N1CC[C@H](Oc2ccccn2)C1 ZINC000261946088 526353312 /nfs/dbraw/zinc/35/33/12/526353312.db2.gz FZHFRDZBJQWLKH-NSHDSACASA-N 1 0 316.327 2.063 10 30 DEEERO C[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261754248 526374375 /nfs/dbraw/zinc/37/43/75/526374375.db2.gz MEMDAXRAKFKOIQ-AVGNSLFASA-N 1 0 321.856 2.135 10 30 DEEERO C[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N(C)Cc1ccon1 ZINC000261672566 526375917 /nfs/dbraw/zinc/37/59/17/526375917.db2.gz CFHMGOPPIZTJGA-AWEZNQCLSA-N 1 0 322.796 2.069 10 30 DEEERO C=C(C)CC[NH+]1CCC(n2cnc(C(=O)OCC)c2N)CC1 ZINC000297725355 526444274 /nfs/dbraw/zinc/44/42/74/526444274.db2.gz SCOVSCLKVWYCJU-UHFFFAOYSA-N 1 0 306.410 2.245 10 30 DEEERO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2Cc2ccccc2OC)C1=O ZINC000337145947 526508668 /nfs/dbraw/zinc/50/86/68/526508668.db2.gz XUXYKYCVIQPHRD-SJORKVTESA-N 1 0 314.429 2.489 10 30 DEEERO C=CCN1CC[C@H]([N@@H+]2CC[C@H](n3ncc4ccccc43)C2)C1=O ZINC000337206626 526510666 /nfs/dbraw/zinc/51/06/66/526510666.db2.gz MXOYIVBIPBZNHK-RDJZCZTQSA-N 1 0 310.401 2.070 10 30 DEEERO C=CCNC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000078643224 526527468 /nfs/dbraw/zinc/52/74/68/526527468.db2.gz GXMGEWWVZUUYFG-UHFFFAOYSA-N 1 0 313.445 2.063 10 30 DEEERO C#CCC(CC#C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000376935535 526671534 /nfs/dbraw/zinc/67/15/34/526671534.db2.gz ZGKLWAHACPELOM-IBGZPJMESA-N 1 0 308.425 2.382 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377244622 526673838 /nfs/dbraw/zinc/67/38/38/526673838.db2.gz VHJNEMAOKQBULR-SFHVURJKSA-N 1 0 308.425 2.288 10 30 DEEERO C=C(C)Cn1c(C(C)C)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000338810417 526722618 /nfs/dbraw/zinc/72/26/18/526722618.db2.gz ZDRJUJVABJLCLB-HNNXBMFYSA-N 1 0 321.469 2.135 10 30 DEEERO C=C(C)Cn1c(COCC)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359116212 526730932 /nfs/dbraw/zinc/73/09/32/526730932.db2.gz OPFZUJWNWKOMFF-HNNXBMFYSA-N 1 0 319.453 2.064 10 30 DEEERO C=CCOCC[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000339064292 526770048 /nfs/dbraw/zinc/77/00/48/526770048.db2.gz CYPVWULLURMAJN-MRXNPFEDSA-N 1 0 306.450 2.304 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000368161152 526779508 /nfs/dbraw/zinc/77/95/08/526779508.db2.gz RVPSBYDRITWIBW-JKIFEVAISA-N 1 0 312.429 2.296 10 30 DEEERO C=CCOCC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000294521458 526783868 /nfs/dbraw/zinc/78/38/68/526783868.db2.gz JEEPYXGFLNIJMZ-CYBMUJFWSA-N 1 0 300.196 2.275 10 30 DEEERO C=CCCCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000245601076 527111372 /nfs/dbraw/zinc/11/13/72/527111372.db2.gz VLYFMMLRYBNIBS-ROUUACIJSA-N 1 0 316.445 2.342 10 30 DEEERO C=CCc1ccc(OCC(=O)N2CCC([NH2+]C)CC2)c(OC)c1 ZINC000237070588 527247889 /nfs/dbraw/zinc/24/78/89/527247889.db2.gz KQTUTRHCKLWPQH-UHFFFAOYSA-N 1 0 318.417 2.013 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])Nc2cccc(C)c2)[C@@]12CCCO2 ZINC000262342031 527791867 /nfs/dbraw/zinc/79/18/67/527791867.db2.gz CVGXPTVZDCLYDO-INMHGKMJSA-N 1 0 303.406 2.448 10 30 DEEERO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CCCCO1 ZINC000246387422 527892440 /nfs/dbraw/zinc/89/24/40/527892440.db2.gz VESLOKGRHZMHAV-NVXWUHKLSA-N 1 0 307.438 2.076 10 30 DEEERO CC[N@H+]1C[C@@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000408468198 527929580 /nfs/dbraw/zinc/92/95/80/527929580.db2.gz PTZQZJSYTXPFBP-IYBDPMFKSA-N 1 0 320.481 2.086 10 30 DEEERO CC[NH+]=C(NCCn1ccnc1C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261755128 528809548 /nfs/dbraw/zinc/80/95/48/528809548.db2.gz NTWZUJMUJKQEQJ-HOTGVXAUSA-N 1 0 303.454 2.279 10 30 DEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000262007301 528819914 /nfs/dbraw/zinc/81/99/14/528819914.db2.gz VWZWFEJCCPSHIX-OUCADQQQSA-N 1 0 321.856 2.277 10 30 DEEERO Cc1cccc(NC(=[NH2+])NC[C@H](O)COc2ccc(F)cc2)c1 ZINC000104179995 624783388 /nfs/dbraw/zinc/78/33/88/624783388.db2.gz KBQRAWBUVHKNJF-HNNXBMFYSA-N 1 0 317.364 2.301 10 30 DEEERO CCNC(NCc1ccc(OC)c(OC(F)F)c1)=[NH+]CC ZINC000161497913 625099721 /nfs/dbraw/zinc/09/97/21/625099721.db2.gz RFQDZZYCIBOMPM-UHFFFAOYSA-N 1 0 301.337 2.372 10 30 DEEERO CCN(CC)c1ccc(CNC(=[NH2+])NC[C@@H]2CCCO2)cc1 ZINC000195522595 633130274 /nfs/dbraw/zinc/13/02/74/633130274.db2.gz NGFKCZLTPOWGNV-INIZCTEOSA-N 1 0 304.438 2.116 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CN1CCCCCCC1=O ZINC000178458596 634179672 /nfs/dbraw/zinc/17/96/72/634179672.db2.gz KYXANPRPBSHKOV-MRXNPFEDSA-N 1 0 322.449 2.056 10 30 DEEERO C=CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccncc1 ZINC000745828830 638293518 /nfs/dbraw/zinc/29/35/18/638293518.db2.gz WEIBVYQTFZQRTL-DLBZAZTESA-N 1 0 312.417 2.355 10 30 DEEERO CCC[N@H+](CC)CCNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746747207 638374422 /nfs/dbraw/zinc/37/44/22/638374422.db2.gz FMTQJJZQSLWASM-UHFFFAOYSA-N 1 0 318.421 2.098 10 30 DEEERO [NH2+]=C(NCCc1csc(N2CCCC2)n1)N1CCCCC1 ZINC000304743085 685258934 /nfs/dbraw/zinc/25/89/34/685258934.db2.gz CWMDIOOMCFLJLK-UHFFFAOYSA-N 1 0 307.467 2.086 10 30 DEEERO CN(C)[C@H](CNC(=[NH2+])NCCc1cccs1)c1ccco1 ZINC000303788867 685235820 /nfs/dbraw/zinc/23/58/20/685235820.db2.gz UVQWBAGOQPNOJO-CYBMUJFWSA-N 1 0 306.435 2.091 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NC[C@@H](O)c1ccccc1F ZINC000303883472 685237768 /nfs/dbraw/zinc/23/77/68/685237768.db2.gz IPEWMWATOYYTKR-CQSZACIVSA-N 1 0 307.394 2.068 10 30 DEEERO Cc1cccc(NC(=[NH2+])NCCC(=O)NCc2ccccc2)c1 ZINC000303987286 685242133 /nfs/dbraw/zinc/24/21/33/685242133.db2.gz VHAVJDFDQNGVGD-UHFFFAOYSA-N 1 0 310.401 2.428 10 30 DEEERO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N+]12CCN(CC1)CC2 ZINC000029226671 717117182 /nfs/dbraw/zinc/11/71/82/717117182.db2.gz IGGRMYMGYBYDAE-OAHLLOKOSA-O 1 0 316.469 2.284 10 30 DEEERO C#CC[NH+]1CCC(NC(=O)c2ccc(CSC)cc2)CC1 ZINC000586052421 791867192 /nfs/dbraw/zinc/86/71/92/791867192.db2.gz CXULVLFXQGKFOJ-UHFFFAOYSA-N 1 0 302.443 2.377 10 30 DEEERO C#CC[C@@H](COC)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000716858044 793001187 /nfs/dbraw/zinc/00/11/87/793001187.db2.gz WRPQUKOKIIEEME-NRXISQOPSA-N 1 0 310.438 2.450 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000716858338 793005281 /nfs/dbraw/zinc/00/52/81/793005281.db2.gz XVQRHDHJDFWJJW-QLFBSQMISA-N 1 0 310.438 2.450 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000716828691 793008495 /nfs/dbraw/zinc/00/84/95/793008495.db2.gz MOJPJBPVNDSITJ-KFWWJZLASA-N 1 0 310.438 2.260 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000716827169 793008957 /nfs/dbraw/zinc/00/89/57/793008957.db2.gz DSADHDHUWANFKT-RRFJBIMHSA-N 1 0 310.438 2.260 10 30 DEEERO CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1cccc(C#CC[NH3+])c1 ZINC000088310899 185245354 /nfs/dbraw/zinc/24/53/54/185245354.db2.gz MVSNYNMQSDSZDY-KGLIPLIRSA-N 1 0 308.447 2.100 10 30 DEEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000613160080 362023328 /nfs/dbraw/zinc/02/33/28/362023328.db2.gz PRYQTZQWMBWOFG-KRWDZBQOSA-N 1 0 323.481 2.038 10 30 DEEERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000090539742 185301666 /nfs/dbraw/zinc/30/16/66/185301666.db2.gz VYYNAJHEWJAGJO-TZMCWYRMSA-N 1 0 307.781 2.165 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(C#CCCO)cs1 ZINC000092665436 185332448 /nfs/dbraw/zinc/33/24/48/185332448.db2.gz ROAVTGJDMIFXBY-MRXNPFEDSA-N 1 0 306.475 2.398 10 30 DEEERO C=C[C@](C)(O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000613677231 362178541 /nfs/dbraw/zinc/17/85/41/362178541.db2.gz DDUJZBRVBQGKRZ-MSOLQXFVSA-N 1 0 302.418 2.094 10 30 DEEERO C[N@H+](CC#Cc1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000191998366 529822846 /nfs/dbraw/zinc/82/28/46/529822846.db2.gz CLFOKWDVFQMIDL-SFHVURJKSA-N 1 0 306.413 2.429 10 30 DEEERO CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@H]1CCCCO1 ZINC000106867059 185457664 /nfs/dbraw/zinc/45/76/64/185457664.db2.gz UCAKQSVTYMPVCX-JKSUJKDBSA-N 1 0 309.454 2.276 10 30 DEEERO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000625700858 365875218 /nfs/dbraw/zinc/87/52/18/365875218.db2.gz MJKLHIQZYUQFPL-AWEZNQCLSA-N 1 0 301.390 2.482 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2COC)C1 ZINC000625702602 365876823 /nfs/dbraw/zinc/87/68/23/365876823.db2.gz ZSKXSNVYKGENJD-OAHLLOKOSA-N 1 0 302.418 2.347 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000625702124 365874798 /nfs/dbraw/zinc/87/47/98/365874798.db2.gz DFDXSPWINJAJIW-WBVHZDCISA-N 1 0 305.418 2.471 10 30 DEEERO C=CC[C@@H]1CC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000625704630 365877846 /nfs/dbraw/zinc/87/78/46/365877846.db2.gz POZFAHTWYZXLDS-MRXNPFEDSA-N 1 0 324.428 2.387 10 30 DEEERO CCCCCCNS(=O)(=O)c1cc(C#CC[NH3+])ccc1C ZINC000070469079 190900635 /nfs/dbraw/zinc/90/06/35/190900635.db2.gz WCOYRMVMHVXPBU-UHFFFAOYSA-N 1 0 308.447 2.164 10 30 DEEERO Cc1cc(C#CC[NH3+])cc(C(=O)N2CCS[C@@H](C)[C@H]2C)c1 ZINC000133679190 186005650 /nfs/dbraw/zinc/00/56/50/186005650.db2.gz FJQZVJBWRTYYGJ-KGLIPLIRSA-N 1 0 302.443 2.271 10 30 DEEERO Cc1cc(C(=O)NCc2sccc2C#CC[NH3+])ccc1F ZINC000148647166 186045560 /nfs/dbraw/zinc/04/55/60/186045560.db2.gz PNICRZUHQRCUBZ-UHFFFAOYSA-N 1 0 302.374 2.436 10 30 DEEERO C[NH+](C)Cc1cc(CNC(=O)c2cc(C#N)c[nH]2)ccc1F ZINC000175684843 186188615 /nfs/dbraw/zinc/18/86/15/186188615.db2.gz JEOGDLXRJPVKKG-UHFFFAOYSA-N 1 0 300.337 2.017 10 30 DEEERO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCNC2=O)[C@H]1c1ccccc1 ZINC000328879993 283107776 /nfs/dbraw/zinc/10/77/76/283107776.db2.gz KLQNQSZBAHHZHU-RRFJBIMHSA-N 1 0 316.405 2.054 10 30 DEEERO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000182004688 356104409 /nfs/dbraw/zinc/10/44/09/356104409.db2.gz KEWFMTUDUFNUEY-STQMWFEESA-N 1 0 321.396 2.493 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000185238850 356204492 /nfs/dbraw/zinc/20/44/92/356204492.db2.gz RUPQGKJZKUMPEG-DLBZAZTESA-N 1 0 319.449 2.088 10 30 DEEERO C=CCN1CC[C@@H]([NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)C1=O ZINC000592158533 357843317 /nfs/dbraw/zinc/84/33/17/357843317.db2.gz FQNODXURVCBGCA-CQSZACIVSA-N 1 0 322.449 2.217 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000593094842 358008495 /nfs/dbraw/zinc/00/84/95/358008495.db2.gz IOAJSLSTFDBLCM-KBPBESRZSA-N 1 0 315.417 2.049 10 30 DEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)C1 ZINC000594232893 358228759 /nfs/dbraw/zinc/22/87/59/358228759.db2.gz XPLRGJBJTVMUEC-SUMWQHHRSA-N 1 0 312.417 2.312 10 30 DEEERO CC(=O)N(C)c1ccccc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594445046 358273119 /nfs/dbraw/zinc/27/31/19/358273119.db2.gz OABBXBAVLNDJHZ-CYBMUJFWSA-N 1 0 302.378 2.019 10 30 DEEERO C=CCSCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595262680 358408484 /nfs/dbraw/zinc/40/84/84/358408484.db2.gz APDVLYVUOPEZRX-HZPDHXFCSA-N 1 0 319.474 2.351 10 30 DEEERO C=CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595659895 358515032 /nfs/dbraw/zinc/51/50/32/358515032.db2.gz QTUJRHWDVLILGS-HUUCEWRRSA-N 1 0 322.449 2.217 10 30 DEEERO C=CC[N@@H+]([C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O)C(C)(C)C ZINC000595765808 358543592 /nfs/dbraw/zinc/54/35/92/358543592.db2.gz OZDCUDKGQWEJHH-CYBMUJFWSA-N 1 0 310.438 2.216 10 30 DEEERO C=CC[C@@]1(C(=O)N2CCC[C@@H](C(C)(C)C(=O)OC)C2)CCC[NH2+]1 ZINC000595958492 358586703 /nfs/dbraw/zinc/58/67/03/358586703.db2.gz RHUJKFNZNVJTIJ-KDOFPFPSSA-N 1 0 322.449 2.123 10 30 DEEERO C=CCC[C@@H](NCc1ccnn1-c1cc[nH+]cc1)C(=O)OCC ZINC000597148212 358835952 /nfs/dbraw/zinc/83/59/52/358835952.db2.gz AARDFDKXSNHAJM-MRXNPFEDSA-N 1 0 314.389 2.255 10 30 DEEERO C=C(C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000600742261 359817651 /nfs/dbraw/zinc/81/76/51/359817651.db2.gz SRZQDTFKLXYNLD-KRWDZBQOSA-N 1 0 300.402 2.361 10 30 DEEERO C[C@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@H]1C[NH3+] ZINC000600884848 359850899 /nfs/dbraw/zinc/85/08/99/359850899.db2.gz GBMPBUONMFDNME-WCBMZHEXSA-N 1 0 312.186 2.491 10 30 DEEERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC2CCC(C#N)CC2)C1 ZINC000441021586 238003307 /nfs/dbraw/zinc/00/33/07/238003307.db2.gz KTQZIIYFIHIRBR-FJBKBRRZSA-N 1 0 306.454 2.488 10 30 DEEERO CO[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000619426051 363789589 /nfs/dbraw/zinc/78/95/89/363789589.db2.gz PSDUVESHZIGQDY-IRXDYDNUSA-N 1 0 314.433 2.469 10 30 DEEERO CC[C@@H]1CN(c2cc(C#N)c3ccccc3n2)CC[N@@H+]1C[C@H](C)O ZINC000610276496 361378356 /nfs/dbraw/zinc/37/83/56/361378356.db2.gz ALEAOFZYPTUZON-GOEBONIOSA-N 1 0 324.428 2.388 10 30 DEEERO CCNC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611394740 361591080 /nfs/dbraw/zinc/59/10/80/361591080.db2.gz ZGHKAUXQIQJCGK-WBVHZDCISA-N 1 0 312.417 2.329 10 30 DEEERO N#CC1CCC(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000619658497 363849735 /nfs/dbraw/zinc/84/97/35/363849735.db2.gz AWYPRWXRBWTOFL-XUJLQICISA-N 1 0 304.438 2.100 10 30 DEEERO CC#CCCCC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620908770 364198161 /nfs/dbraw/zinc/19/81/61/364198161.db2.gz ADBKMIKGIIEUGO-MRXNPFEDSA-N 1 0 306.450 2.282 10 30 DEEERO C=CC[C@H]1CCN(C(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000623466521 365040138 /nfs/dbraw/zinc/04/01/38/365040138.db2.gz BUOAQLIKGYCONY-KRWDZBQOSA-N 1 0 322.497 2.012 10 30 DEEERO C=CC[N@@H+](CCC(=O)NCc1ccc(OC)cc1OC)C1CC1 ZINC000450645555 242055537 /nfs/dbraw/zinc/05/55/37/242055537.db2.gz OXJZIBCTBYLDCO-UHFFFAOYSA-N 1 0 318.417 2.361 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@@H+]2Cc2ccccc2)C1=O ZINC000630988871 367952906 /nfs/dbraw/zinc/95/29/06/367952906.db2.gz WISUECCVEYXKHL-JKSUJKDBSA-N 1 0 313.401 2.148 10 30 DEEERO Cc1ccc(N2CCC[N@H+](Cc3cc(C#N)cs3)CC2)nn1 ZINC000093272246 193222504 /nfs/dbraw/zinc/22/25/04/193222504.db2.gz PCUBEJODXFBFQE-UHFFFAOYSA-N 1 0 313.430 2.431 10 30 DEEERO CCCO[C@@H]1CCCN(C(=O)c2csc(C#CC[NH3+])c2)C1 ZINC000093976141 193333215 /nfs/dbraw/zinc/33/32/15/193333215.db2.gz BLLCQGZHLRPOJY-CQSZACIVSA-N 1 0 306.431 2.090 10 30 DEEERO C=CCNC(=O)c1ccc(NC(=O)[C@H](CCC)[NH+](C)C)cc1 ZINC000094032052 193339807 /nfs/dbraw/zinc/33/98/07/193339807.db2.gz KTUCSYXZTSIQKU-HNNXBMFYSA-N 1 0 303.406 2.271 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188670 193348054 /nfs/dbraw/zinc/34/80/54/193348054.db2.gz ZKWLJQAQNCNNSH-UHFFFAOYSA-N 1 0 314.139 2.071 10 30 DEEERO CCN(CC(F)(F)F)C(=O)c1cc(C)c(C#CC[NH3+])s1 ZINC000094536585 193378032 /nfs/dbraw/zinc/37/80/32/193378032.db2.gz QCWYLVBLAHONMT-UHFFFAOYSA-N 1 0 304.337 2.391 10 30 DEEERO CC1=CC[N@H+](CCNC(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000454793444 246160138 /nfs/dbraw/zinc/16/01/38/246160138.db2.gz UYQZSFWVVQYYBM-UHFFFAOYSA-N 1 0 316.380 2.149 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000105996592 194178083 /nfs/dbraw/zinc/17/80/83/194178083.db2.gz WHIBLWXZIDFCAT-UHFFFAOYSA-N 1 0 305.122 2.441 10 30 DEEERO Cc1ccc(NS(=O)(=O)C2CCCCC2)cc1C#CC[NH3+] ZINC000109436272 194263838 /nfs/dbraw/zinc/26/38/38/194263838.db2.gz YJXZDZISMGTAPS-UHFFFAOYSA-N 1 0 306.431 2.380 10 30 DEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000110663474 194348473 /nfs/dbraw/zinc/34/84/73/194348473.db2.gz JYAWXDOSPARDAE-INIZCTEOSA-N 1 0 317.433 2.224 10 30 DEEERO CC(C)[NH2+]Cc1ccc(Br)cc1-n1cnc(C#N)n1 ZINC000061842391 184189761 /nfs/dbraw/zinc/18/97/61/184189761.db2.gz ZKXFYOATVIPQMZ-UHFFFAOYSA-N 1 0 320.194 2.399 10 30 DEEERO C[C@H]([NH3+])[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000063195477 184277998 /nfs/dbraw/zinc/27/79/98/184277998.db2.gz PUSGLKJIDOJHRB-WCQYABFASA-N 1 0 306.435 2.150 10 30 DEEERO C=CCn1c(COCC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000350792351 404470845 /nfs/dbraw/zinc/47/08/45/404470845.db2.gz LQZAQZNPKNOSLC-CABCVRRESA-N 1 0 321.469 2.167 10 30 DEEERO COc1ccc(C#CC[NH3+])c(C[N@@H+]2CCSC(C)(C)C2)c1 ZINC000159050536 197321568 /nfs/dbraw/zinc/32/15/68/197321568.db2.gz XPBJNEGFPPNLBW-UHFFFAOYSA-N 1 0 304.459 2.333 10 30 DEEERO C#CCN(CC)S(=O)(=O)c1cc(C[NH2+]CCC)ccc1C ZINC000157974978 197231836 /nfs/dbraw/zinc/23/18/36/197231836.db2.gz JLZOGVYNFPKSPI-UHFFFAOYSA-N 1 0 308.447 2.138 10 30 DEEERO CC[C@H]1CN(Cc2ccc(C#N)cc2OC)CC[N@@H+]1CCOC ZINC000120865656 195253716 /nfs/dbraw/zinc/25/37/16/195253716.db2.gz JBHNYUOGBHHYSN-KRWDZBQOSA-N 1 0 317.433 2.109 10 30 DEEERO C=CC[N@@H+]1CCO[C@H]2CN(C(=O)Cc3cccs3)CC[C@H]2C1 ZINC000247987417 257111506 /nfs/dbraw/zinc/11/15/06/257111506.db2.gz JHPPYKNTPLFHPN-HOCLYGCPSA-N 1 0 320.458 2.026 10 30 DEEERO CC[C@H](CSC)[N@H+](C)CCOc1cccc(C#CCO)c1 ZINC000124610547 195660053 /nfs/dbraw/zinc/66/00/53/195660053.db2.gz RQWQIJFHBBPLMG-MRXNPFEDSA-N 1 0 307.459 2.483 10 30 DEEERO COCCCN(C(=O)c1sccc1C#N)C1CC[NH+](C)CC1 ZINC000362344467 133224798 /nfs/dbraw/zinc/22/47/98/133224798.db2.gz GBRZWJPULSVXGO-UHFFFAOYSA-N 1 0 321.446 2.193 10 30 DEEERO Cc1c[nH+]ccc1N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192923915 145080415 /nfs/dbraw/zinc/08/04/15/145080415.db2.gz XZDSEANMBHBVJH-KRWDZBQOSA-N 1 0 306.369 2.475 10 30 DEEERO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246501455 145104626 /nfs/dbraw/zinc/10/46/26/145104626.db2.gz FBJOQDZFKDGSTI-DOTOQJQBSA-N 1 0 313.401 2.388 10 30 DEEERO N#Cc1ccccc1N1CCC[N@@H+](CC[C@H]2CCOC2=O)CC1 ZINC000246956703 145120372 /nfs/dbraw/zinc/12/03/72/145120372.db2.gz ODLYNIBNLCWHIZ-HNNXBMFYSA-N 1 0 313.401 2.024 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000248901839 145172643 /nfs/dbraw/zinc/17/26/43/145172643.db2.gz VQOKMJYMMFQSJZ-CQSZACIVSA-N 1 0 305.397 2.240 10 30 DEEERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1OC ZINC000112531104 401748157 /nfs/dbraw/zinc/74/81/57/401748157.db2.gz JWOLKXKBSRFVGB-OLZOCXBDSA-N 1 0 319.405 2.115 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)NCC[NH+]1CCCCCC1 ZINC000078451579 401852102 /nfs/dbraw/zinc/85/21/02/401852102.db2.gz BYKRGCWVFUQWSB-HNNXBMFYSA-N 1 0 315.417 2.318 10 30 DEEERO CC[C@H](CO)[NH+]1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135259894 401932415 /nfs/dbraw/zinc/93/24/15/401932415.db2.gz PRCAFNGYQYLKQP-QGZVFWFLSA-N 1 0 315.461 2.376 10 30 DEEERO CCc1ccc([C@H](CNC(=O)c2cc(C#N)cn2C)[NH+](C)C)cc1 ZINC000081570574 401897749 /nfs/dbraw/zinc/89/77/49/401897749.db2.gz VVNWQQUDZSXPET-SFHVURJKSA-N 1 0 324.428 2.492 10 30 DEEERO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)CCN1C ZINC000123200906 402116068 /nfs/dbraw/zinc/11/60/68/402116068.db2.gz GFVUQIHCNVRZDM-GOEBONIOSA-N 1 0 314.433 2.301 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cc(=O)c(O)co1 ZINC000124123647 402164762 /nfs/dbraw/zinc/16/47/62/402164762.db2.gz WJPIAAZQCHPTLI-UHFFFAOYSA-N 1 0 316.313 2.442 10 30 DEEERO C[C@@H](C(=O)NC1CC1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000069656974 402237012 /nfs/dbraw/zinc/23/70/12/402237012.db2.gz STXKEOQKWHMJAE-ZDUSSCGKSA-N 1 0 313.401 2.069 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000185946295 402391938 /nfs/dbraw/zinc/39/19/38/402391938.db2.gz ZIQANRJWPMZMCU-XNHLSEOASA-N 1 0 319.493 2.358 10 30 DEEERO Cn1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000245949210 402499971 /nfs/dbraw/zinc/49/99/71/402499971.db2.gz KWMSEHCFKCEASK-SFHVURJKSA-N 1 0 321.428 2.239 10 30 DEEERO C=CCOc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1OC ZINC000170856225 402532947 /nfs/dbraw/zinc/53/29/47/402532947.db2.gz VAMRSXWLMXLYCD-AWEZNQCLSA-N 1 0 304.390 2.036 10 30 DEEERO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCN(c3ccccn3)CC2)cc1 ZINC000183825770 402800904 /nfs/dbraw/zinc/80/09/04/402800904.db2.gz HUPVGNQFURATKZ-SFHVURJKSA-N 1 0 322.412 2.199 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@@H]2CCCO2)C12CCCCC2 ZINC000262415203 286313654 /nfs/dbraw/zinc/31/36/54/286313654.db2.gz MAUDZKFFRKVCSF-SOUVJXGZSA-N 1 0 309.454 2.198 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000277405263 403214274 /nfs/dbraw/zinc/21/42/74/403214274.db2.gz LGRJYXPSKCDIKI-KRWDZBQOSA-N 1 0 300.377 2.207 10 30 DEEERO C=CCCC[C@H](C)NC(=O)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000343022234 403432109 /nfs/dbraw/zinc/43/21/09/403432109.db2.gz GUFDDBISBFBQCL-HNNXBMFYSA-N 1 0 323.481 2.086 10 30 DEEERO C=CCC(C)(C)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000340040731 403532776 /nfs/dbraw/zinc/53/27/76/403532776.db2.gz OIRAUBIHSAPRQW-MRXNPFEDSA-N 1 0 307.482 2.217 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000288212604 403741996 /nfs/dbraw/zinc/74/19/96/403741996.db2.gz QINTXKZYFUDGTR-GOSISDBHSA-N 1 0 311.429 2.182 10 30 DEEERO C[C@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@@H]1[NH3+] ZINC000333752638 403845213 /nfs/dbraw/zinc/84/52/13/403845213.db2.gz ZHAPHEJVEOGJGN-LRDDRELGSA-N 1 0 309.417 2.267 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2OCCOC)cc1 ZINC000362529824 403962653 /nfs/dbraw/zinc/96/26/53/403962653.db2.gz UEHTYOWRYNJXGC-QZTJIDSGSA-N 1 0 321.417 2.162 10 30 DEEERO C=CCn1c(-c2cccnc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000289649879 403989763 /nfs/dbraw/zinc/98/97/63/403989763.db2.gz LOIDYHUNNGKYLY-ZBFHGGJFSA-N 1 0 324.432 2.199 10 30 DEEERO C#Cc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)cc1 ZINC000289824695 404001767 /nfs/dbraw/zinc/00/17/67/404001767.db2.gz UEKWPIOHBJHUJY-GOSISDBHSA-N 1 0 308.429 2.468 10 30 DEEERO Cn1cncc1[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCS2)CCO1 ZINC000328615321 404114835 /nfs/dbraw/zinc/11/48/35/404114835.db2.gz ATIBRNDNAYJPNB-DYEKYZERSA-N 1 0 324.450 2.039 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000363735914 404220056 /nfs/dbraw/zinc/22/00/56/404220056.db2.gz LQMSZBBVJKBZCM-NVXWUHKLSA-N 1 0 315.373 2.109 10 30 DEEERO Cn1nccc1[C@H]1[C@H](CNC(=O)NC2CCCC2)CCC[N@@H+]1C ZINC000328941497 404178758 /nfs/dbraw/zinc/17/87/58/404178758.db2.gz ICDKGLFZEVEONR-XJKSGUPXSA-N 1 0 319.453 2.249 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000342033884 404325848 /nfs/dbraw/zinc/32/58/48/404325848.db2.gz BUHSRAMXSSSAJM-GVDBMIGSSA-N 1 0 307.482 2.073 10 30 DEEERO C=CCC(C)(C)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000352478200 404399058 /nfs/dbraw/zinc/39/90/58/404399058.db2.gz UCURJQXLLXWTCC-UHFFFAOYSA-N 1 0 316.449 2.166 10 30 DEEERO CC(=O)N1CCC[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329644839 404406004 /nfs/dbraw/zinc/40/60/04/404406004.db2.gz ZHGYGZNFPWXLKH-WZYMTQMTSA-N 1 0 307.438 2.217 10 30 DEEERO C=CCOCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000364747125 404526586 /nfs/dbraw/zinc/52/65/86/404526586.db2.gz YGCASDCYCFZZHG-QGZVFWFLSA-N 1 0 323.481 2.487 10 30 DEEERO CCn1cc(-c2n[nH]cc2C(=O)N[C@H]2CCC[N@H+](CC)C2)cn1 ZINC000330222606 404591617 /nfs/dbraw/zinc/59/16/17/404591617.db2.gz MOPMYWIJBPJMEE-ZDUSSCGKSA-N 1 0 316.409 2.082 10 30 DEEERO Cc1nnc2ccc(C(=O)NC3CC([NH+]4CCCCC4)C3)cn12 ZINC000330105248 404553490 /nfs/dbraw/zinc/55/34/90/404553490.db2.gz JKVMBBFNEYQIEH-UHFFFAOYSA-N 1 0 313.405 2.359 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000351583643 404657434 /nfs/dbraw/zinc/65/74/34/404657434.db2.gz UOAJRKBQEBDMSE-SNVBAGLBSA-N 1 0 301.289 2.043 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000357959924 404749095 /nfs/dbraw/zinc/74/90/95/404749095.db2.gz PJYDXDICQFSODL-UHFFFAOYSA-N 1 0 313.405 2.013 10 30 DEEERO CC1(C#N)CC[NH+](CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000358082175 404752828 /nfs/dbraw/zinc/75/28/28/404752828.db2.gz WJFMHYFHVMGRAO-UHFFFAOYSA-N 1 0 313.401 2.001 10 30 DEEERO C=CCc1cc(CN[C@H]2C[NH2+]CCC2(F)F)cc(OC)c1O ZINC000414999323 404784990 /nfs/dbraw/zinc/78/49/90/404784990.db2.gz KEYYQCPYGKAXMI-AWEZNQCLSA-N 1 0 312.360 2.216 10 30 DEEERO C=CCc1cc(CN[C@@H]2C[NH2+]CCC2(F)F)cc(OC)c1O ZINC000414999325 404785006 /nfs/dbraw/zinc/78/50/06/404785006.db2.gz KEYYQCPYGKAXMI-CQSZACIVSA-N 1 0 312.360 2.216 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451338201 404959567 /nfs/dbraw/zinc/95/95/67/404959567.db2.gz HNTVKSIFOMOWAJ-GVDBMIGSSA-N 1 0 308.466 2.427 10 30 DEEERO C=C[C@H](CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)c1ccccc1 ZINC000416302659 405093278 /nfs/dbraw/zinc/09/32/78/405093278.db2.gz GHGZLLNPWJNNAK-BRWVUGGUSA-N 1 0 316.445 2.260 10 30 DEEERO C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418746486 405189978 /nfs/dbraw/zinc/18/99/78/405189978.db2.gz IBLQFADPRGWSBS-AWEZNQCLSA-N 1 0 309.360 2.381 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000438451083 405247308 /nfs/dbraw/zinc/24/73/08/405247308.db2.gz GTUUTOPDCHNGOX-YVSFHVDLSA-N 1 0 323.481 2.339 10 30 DEEERO C=CCC1(CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)CCCC1 ZINC000419504739 405253735 /nfs/dbraw/zinc/25/37/35/405253735.db2.gz HJYOZOVYUDCODP-JKSUJKDBSA-N 1 0 323.481 2.219 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000425448821 405292825 /nfs/dbraw/zinc/29/28/25/405292825.db2.gz ITSNDSJVZVGIIV-BBWFWOEESA-N 1 0 323.481 2.387 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NC[C@]2(O)CCCC(C)(C)C2)CC1 ZINC000446589703 405385623 /nfs/dbraw/zinc/38/56/23/405385623.db2.gz BIIMXUDECYFVSV-SFHVURJKSA-N 1 0 323.481 2.267 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C)CC1 ZINC000446138720 405374455 /nfs/dbraw/zinc/37/44/55/405374455.db2.gz PEGZBUAYOGROGN-SOUVJXGZSA-N 1 0 309.454 2.234 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000448697790 405438215 /nfs/dbraw/zinc/43/82/15/405438215.db2.gz NPXFATNEWKIJOA-MRXNPFEDSA-N 1 0 302.422 2.137 10 30 DEEERO C=CCCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000458720443 405557021 /nfs/dbraw/zinc/55/70/21/405557021.db2.gz IZKGDNSVOTXDRW-XYPWUTKMSA-N 1 0 309.454 2.236 10 30 DEEERO C=CCCCCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000580570792 405647370 /nfs/dbraw/zinc/64/73/70/405647370.db2.gz MEYZTYHDYQJWEZ-UHFFFAOYSA-N 1 0 315.417 2.133 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639043804 405839751 /nfs/dbraw/zinc/83/97/51/405839751.db2.gz AFDGSYNYGRWFIW-SNVBAGLBSA-N 1 0 303.328 2.265 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1cnc(C)o1)C(C)C ZINC000639518033 406124789 /nfs/dbraw/zinc/12/47/89/406124789.db2.gz WPDYHJBIPFXSBX-MRXNPFEDSA-N 1 0 305.422 2.340 10 30 DEEERO C=CC1(N2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH2+]CC1 ZINC000536954478 406281199 /nfs/dbraw/zinc/28/11/99/406281199.db2.gz NLGMKUZKSACXCH-UHFFFAOYSA-N 1 0 309.454 2.237 10 30 DEEERO C=C[C@H](C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635676815 406672602 /nfs/dbraw/zinc/67/26/02/406672602.db2.gz YMIFFSMHTAGGRM-KVSKMBFKSA-N 1 0 314.429 2.216 10 30 DEEERO C#C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000491793491 406723428 /nfs/dbraw/zinc/72/34/28/406723428.db2.gz LSUDKUGKPBRTDF-KGLIPLIRSA-N 1 0 321.218 2.334 10 30 DEEERO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000574769124 406786278 /nfs/dbraw/zinc/78/62/78/406786278.db2.gz TZQDWKPXSJVLDP-CQSZACIVSA-N 1 0 306.406 2.018 10 30 DEEERO CN(Cc1cscn1)C(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129093861 196018644 /nfs/dbraw/zinc/01/86/44/196018644.db2.gz MUMZZIDJHOSQHJ-UHFFFAOYSA-N 1 0 319.817 2.379 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1cnc2ccc(C#N)cn12 ZINC000130774961 196109273 /nfs/dbraw/zinc/10/92/73/196109273.db2.gz YUGRVIZNNYFRKN-MRXNPFEDSA-N 1 0 311.433 2.416 10 30 DEEERO C[C@]([NH3+])(C(=O)Nc1ccc(Br)cc1C#N)C1CC1 ZINC000132418571 196254606 /nfs/dbraw/zinc/25/46/06/196254606.db2.gz KWSBWKMAMABTLW-CYBMUJFWSA-N 1 0 308.179 2.387 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000132448941 196256915 /nfs/dbraw/zinc/25/69/15/196256915.db2.gz VKMZYEPOJURDGE-WDEREUQCSA-N 1 0 308.179 2.387 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)N(C)c1ccccc1C(=O)OC ZINC000132510409 196261115 /nfs/dbraw/zinc/26/11/15/196261115.db2.gz HKZUBQXFZZZGBU-UHFFFAOYSA-N 1 0 304.390 2.334 10 30 DEEERO Cc1c[nH+]c(NN)nc1Nc1ccc(Br)cc1C#N ZINC000133056744 196308122 /nfs/dbraw/zinc/30/81/22/196308122.db2.gz SXZCKDLLRJOBSP-UHFFFAOYSA-N 1 0 319.166 2.448 10 30 DEEERO [NH2+]=C(NC[C@H]1CCC[C@H]1O)Nc1cccc(OC(F)(F)F)c1 ZINC000262367345 225270782 /nfs/dbraw/zinc/27/07/82/225270782.db2.gz KTWAEAMPJYQSNU-BXKDBHETSA-N 1 0 317.311 2.473 10 30 DEEERO [NH2+]=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000262825808 225286290 /nfs/dbraw/zinc/28/62/90/225286290.db2.gz QLPDEWPOCIMXIG-WCQYABFASA-N 1 0 314.216 2.496 10 30 DEEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000328615574 225774233 /nfs/dbraw/zinc/77/42/33/225774233.db2.gz AXKXCNNOCRFNCN-LVQVYYBASA-N 1 0 320.437 2.420 10 30 DEEERO Cc1cc(C#N)nc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000367720808 424869695 /nfs/dbraw/zinc/86/96/95/424869695.db2.gz MIWJXOVZZYHNAW-KRWDZBQOSA-N 1 0 321.428 2.981 10 30 DEEERO C=CCNc1ncc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)s1 ZINC000432928204 425019662 /nfs/dbraw/zinc/01/96/62/425019662.db2.gz QNEROVOYOZDWMA-CHWSQXEVSA-N 1 0 322.478 2.734 10 30 DEEERO Cc1cc(C#N)nc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000396371621 269102970 /nfs/dbraw/zinc/10/29/70/269102970.db2.gz DTVVMMKNAIDUOX-HNNXBMFYSA-N 1 0 307.401 2.367 10 30 DEEERO [NH2+]=C(NC[C@H]1CC12CCOCC2)N[C@@H]1CCOc2ccccc21 ZINC000262687808 274931848 /nfs/dbraw/zinc/93/18/48/274931848.db2.gz BERMXNSBVYMPDV-UKRRQHHQSA-N 1 0 315.417 2.231 10 30 DEEERO CC[NH+]=C(NCCN1CCC1)N1CC=C(c2ccccc2)CC1 ZINC000261806799 275802245 /nfs/dbraw/zinc/80/22/45/275802245.db2.gz WJICJELBWXFHHC-UHFFFAOYSA-N 1 0 312.461 2.447 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000362809552 276868825 /nfs/dbraw/zinc/86/88/25/276868825.db2.gz SJVNOIQXIPHISC-ULQDDVLXSA-N 1 0 302.418 2.387 10 30 DEEERO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C#N)n2)[C@H](c2ccccc2)C1 ZINC000302695692 290058134 /nfs/dbraw/zinc/05/81/34/290058134.db2.gz DNEMIOBVPAOBHI-INIZCTEOSA-N 1 0 323.356 2.355 10 30 DEEERO C=CCOc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564840041 331783611 /nfs/dbraw/zinc/78/36/11/331783611.db2.gz NRYHNQHWVZKFBA-SFHVURJKSA-N 1 0 300.402 2.467 10 30 DEEERO C=CCCCCCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000567404197 333613428 /nfs/dbraw/zinc/61/34/28/333613428.db2.gz ZXDRZRVPELRUQN-UHFFFAOYSA-N 1 0 310.486 2.058 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000519579534 335877941 /nfs/dbraw/zinc/87/79/41/335877941.db2.gz DLCOCCXUOWGLBD-YOEHRIQHSA-N 1 0 303.406 2.005 10 30 DEEERO N#Cc1ccc(NC[C@H]2C[NH2+]CCCO2)c(Br)c1 ZINC000390044208 336934055 /nfs/dbraw/zinc/93/40/55/336934055.db2.gz DGIQHEUILFBTGK-LLVKDONJSA-N 1 0 310.195 2.111 10 30 DEEERO CC#CCC[NH+]1CCC(n2ncc(C(=O)OCC)c2C)CC1 ZINC000375632743 526308376 /nfs/dbraw/zinc/30/83/76/526308376.db2.gz WONLJJHTXPLXRR-UHFFFAOYSA-N 1 0 303.406 2.419 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418397766 526348254 /nfs/dbraw/zinc/34/82/54/526348254.db2.gz JVNXBJYPWIXLMD-HNNXBMFYSA-N 1 0 318.377 2.030 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000153845815 526348670 /nfs/dbraw/zinc/34/86/70/526348670.db2.gz VBGHUAIIHACGTC-CQSZACIVSA-N 1 0 303.362 2.252 10 30 DEEERO C[NH+]=C(NCCC1CCOCC1)N1CCC[C@]2(CCCOC2)C1 ZINC000262772658 526355002 /nfs/dbraw/zinc/35/50/02/526355002.db2.gz IIVAMZGVIDSPPY-SFHVURJKSA-N 1 0 323.481 2.271 10 30 DEEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC1CCC(C(F)(F)F)CC1 ZINC000262792613 526370292 /nfs/dbraw/zinc/37/02/92/526370292.db2.gz OLHAMNBSUJMMNB-WTIISPKJSA-N 1 0 321.387 2.434 10 30 DEEERO C[NH+]=C(NCc1nccc2ccccc21)N1CC[C@@]2(CCOC2)C1 ZINC000261934344 526390156 /nfs/dbraw/zinc/39/01/56/526390156.db2.gz CDTUGWGLPUYGKQ-LJQANCHMSA-N 1 0 324.428 2.423 10 30 DEEERO C[NH+]=C(NCc1ccccn1)NC[C@H](O)c1ccc(Cl)s1 ZINC000262505386 526414507 /nfs/dbraw/zinc/41/45/07/526414507.db2.gz ZSDSPYNWFHSVOR-NSHDSACASA-N 1 0 324.837 2.195 10 30 DEEERO C[NH+]=C(NC[C@H](C)SC)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000261937916 526414646 /nfs/dbraw/zinc/41/46/46/526414646.db2.gz CYASXYHPPPUVES-JSGCOSHPSA-N 1 0 323.510 2.238 10 30 DEEERO C=CCN1CC[C@@H]([NH2+][C@H](C)c2ccccc2-n2cccn2)C1=O ZINC000373959922 526485334 /nfs/dbraw/zinc/48/53/34/526485334.db2.gz WSCYOCUQILJCKX-GDBMZVCRSA-N 1 0 310.401 2.310 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374205691 526535915 /nfs/dbraw/zinc/53/59/15/526535915.db2.gz ACNYSOJTSLTEAE-CQSZACIVSA-N 1 0 304.438 2.402 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886886 526542194 /nfs/dbraw/zinc/54/21/94/526542194.db2.gz IEMNQVOVLHAEOM-INIZCTEOSA-N 1 0 318.465 2.408 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)c2nnc(C(C)C)s2)CC1 ZINC000442560602 526601925 /nfs/dbraw/zinc/60/19/25/526601925.db2.gz XKUZBTUNZKDLOZ-UHFFFAOYSA-N 1 0 308.451 2.432 10 30 DEEERO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000262420341 526618434 /nfs/dbraw/zinc/61/84/34/526618434.db2.gz QJZLSQSZFWREDM-STQMWFEESA-N 1 0 316.405 2.321 10 30 DEEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000368750947 526623085 /nfs/dbraw/zinc/62/30/85/526623085.db2.gz PUOMMYDMMPZWFB-MRXNPFEDSA-N 1 0 301.434 2.198 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418133273 526774677 /nfs/dbraw/zinc/77/46/77/526774677.db2.gz KEGRUXUUHRXPLY-CABCVRRESA-N 1 0 309.454 2.319 10 30 DEEERO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000373878791 526846424 /nfs/dbraw/zinc/84/64/24/526846424.db2.gz RPNHRZVICBUOKM-UCHQMPSGSA-N 1 0 321.465 2.282 10 30 DEEERO C=CCOc1ccc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000418173561 526876625 /nfs/dbraw/zinc/87/66/25/526876625.db2.gz YOCHGSWBCMIJCL-MRXNPFEDSA-N 1 0 315.417 2.287 10 30 DEEERO C=CC1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418329154 526965567 /nfs/dbraw/zinc/96/55/67/526965567.db2.gz ASVHOPAAJWPGGM-UHFFFAOYSA-N 1 0 302.422 2.169 10 30 DEEERO C#CCOc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000246639181 527095483 /nfs/dbraw/zinc/09/54/83/527095483.db2.gz KRIRRKBCNKNTPP-WMZOPIPTSA-N 1 0 312.413 2.255 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000248545421 527195496 /nfs/dbraw/zinc/19/54/96/527195496.db2.gz DJEPFDRDDCZWMG-LSDHHAIUSA-N 1 0 311.470 2.123 10 30 DEEERO C=CCCCNC(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000447970484 527220645 /nfs/dbraw/zinc/22/06/45/527220645.db2.gz DPEFJAIGYAXLMX-MRXNPFEDSA-N 1 0 311.470 2.389 10 30 DEEERO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000340945067 527249700 /nfs/dbraw/zinc/24/97/00/527249700.db2.gz CBDHLIGUUGVMNC-HZPDHXFCSA-N 1 0 324.465 2.465 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247027928 527627871 /nfs/dbraw/zinc/62/78/71/527627871.db2.gz MEVBYFREHVARIH-WBVHZDCISA-N 1 0 316.449 2.245 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248179644 527635945 /nfs/dbraw/zinc/63/59/45/527635945.db2.gz WEKQMWXODVOKDX-JZXOWHBKSA-N 1 0 306.450 2.203 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(NC2CCOCC2)=[NH+]C)C12CCCCC2 ZINC000130219384 527805564 /nfs/dbraw/zinc/80/55/64/527805564.db2.gz ROLGAEIIMANEAF-HZPDHXFCSA-N 1 0 323.481 2.458 10 30 DEEERO CC[N@@H+]1C[C@H](C)N(C(=O)NCC2CCC(C#N)CC2)C[C@@H]1C ZINC000441000869 527966263 /nfs/dbraw/zinc/96/62/63/527966263.db2.gz RBMNGNRMDDBIGQ-FXQLRMTLSA-N 1 0 306.454 2.440 10 30 DEEERO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000336927773 528358569 /nfs/dbraw/zinc/35/85/69/528358569.db2.gz YKCFXXUTNDSNHK-JFIYKMOQSA-N 1 0 321.465 2.154 10 30 DEEERO CC[NH+]=C(NCc1ncc(CC)s1)N[C@@H]1CCC[C@@H]1C#N ZINC000262459369 528819001 /nfs/dbraw/zinc/81/90/01/528819001.db2.gz XFXQJTBEAUSQEM-DGCLKSJQSA-N 1 0 305.451 2.453 10 30 DEEERO CC[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000262026576 528820444 /nfs/dbraw/zinc/82/04/44/528820444.db2.gz ZWAISXIHJJOTFD-FVQBIDKESA-N 1 0 320.481 2.131 10 30 DEEERO CON=Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000255491607 624839848 /nfs/dbraw/zinc/83/98/48/624839848.db2.gz BTZYSEKRYMAMDN-AWEZNQCLSA-N 1 0 303.406 2.271 10 30 DEEERO COc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2c2cn[nH]c2)cc1C#N ZINC000888078038 625056611 /nfs/dbraw/zinc/05/66/11/625056611.db2.gz FJJLTNLLJDJBGM-DYVFJYSZSA-N 1 0 312.373 2.157 10 30 DEEERO C#Cc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000734445783 633371983 /nfs/dbraw/zinc/37/19/83/633371983.db2.gz ODOZOZUZDRIYSN-UHFFFAOYSA-N 1 0 311.360 2.194 10 30 DEEERO Cc1ccc2c(CCNC(=[NH2+])NC[C@H]3CCCO3)cn(C)c2c1 ZINC000187121052 637040436 /nfs/dbraw/zinc/04/04/36/637040436.db2.gz MJFPAPKFMJAUGA-OAHLLOKOSA-N 1 0 314.433 2.113 10 30 DEEERO C#CCOc1ccc(F)cc1NC(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000743200929 638124735 /nfs/dbraw/zinc/12/47/35/638124735.db2.gz XBTWTWWMPMABLG-CYBMUJFWSA-N 1 0 319.380 2.301 10 30 DEEERO C#CCC[NH+]1CCC(NC(=O)c2ccc3c(n2)CCCC3)CC1 ZINC000750778017 639027279 /nfs/dbraw/zinc/02/72/79/639027279.db2.gz CVAUSRJBRRAKOR-UHFFFAOYSA-N 1 0 311.429 2.178 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000804456272 645773966 /nfs/dbraw/zinc/77/39/66/645773966.db2.gz WCASZPMRKPTBEQ-DLBZAZTESA-N 1 0 316.470 2.175 10 30 DEEERO [NH2+]=C(NCc1sccc1Br)NC[C@@H]1CCCO1 ZINC000171042584 646683585 /nfs/dbraw/zinc/68/35/85/646683585.db2.gz AVECIAVILQMNCA-QMMMGPOBSA-N 1 0 318.240 2.094 10 30 DEEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCCO[C@H](C)C1 ZINC000172610003 646744690 /nfs/dbraw/zinc/74/46/90/646744690.db2.gz DXXSTZITEKDJHB-CYBMUJFWSA-N 1 0 311.389 2.194 10 30 DEEERO [NH2+]=C(NCCOc1ccc(F)cc1F)NCCc1ccccc1 ZINC000304720226 685258176 /nfs/dbraw/zinc/25/81/76/685258176.db2.gz OIUWWHDYQGPYKI-UHFFFAOYSA-N 1 0 319.355 2.491 10 30 DEEERO COc1cccc(NC(=[NH2+])NCc2nccn2CC(C)C)c1 ZINC000304743788 685258963 /nfs/dbraw/zinc/25/89/63/685258963.db2.gz DHMHVWJTIIGSKR-UHFFFAOYSA-N 1 0 301.394 2.475 10 30 DEEERO COc1ccc(NC(=[NH2+])NCc2nccn2CC(C)C)cc1 ZINC000304758436 685260038 /nfs/dbraw/zinc/26/00/38/685260038.db2.gz PZRDHKZILGIKRB-UHFFFAOYSA-N 1 0 301.394 2.475 10 30 DEEERO CCCC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000119423934 684081679 /nfs/dbraw/zinc/08/16/79/684081679.db2.gz YVBDXCRARNUXJL-JKSUJKDBSA-N 1 0 322.449 2.054 10 30 DEEERO CCCOc1ccc(CNC(=[NH2+])NC[C@H]2CCCO2)c(C)c1 ZINC000189696650 684385787 /nfs/dbraw/zinc/38/57/87/684385787.db2.gz ORZFPPCGKITGRG-MRXNPFEDSA-N 1 0 305.422 2.367 10 30 DEEERO COc1cccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)n1 ZINC000303969784 685241385 /nfs/dbraw/zinc/24/13/85/685241385.db2.gz CCQRCNXPCXWNCY-UHFFFAOYSA-N 1 0 316.361 2.034 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000716858340 793005800 /nfs/dbraw/zinc/00/58/00/793005800.db2.gz XVQRHDHJDFWJJW-RRFJBIMHSA-N 1 0 310.438 2.450 10 30 DEEERO N#Cc1ccc(C[NH2+]CCn2cc(Br)cn2)cc1F ZINC000404154258 802000625 /nfs/dbraw/zinc/00/06/25/802000625.db2.gz UUYPSHQQVWGATF-UHFFFAOYSA-N 1 0 323.169 2.446 10 30 DEEERO C=CCc1cc(C[NH2+][C@H](CCO)CSC)cc(OC)c1O ZINC000077461500 1080474733 /nfs/dbraw/zinc/47/47/33/1080474733.db2.gz WHOOQJGBVTYBCA-CQSZACIVSA-N 1 0 311.447 2.333 10 30 DEEERO C[C@@]12CN(c3nccnc3C#N)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702298135 1086420337 /nfs/dbraw/zinc/42/03/37/1086420337.db2.gz SNHIZYXOJUYUFU-QFBILLFUSA-N 1 0 319.412 2.307 10 30 DEEERO C[C@@]12CN(c3ccnc(C#N)n3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702287149 1086421493 /nfs/dbraw/zinc/42/14/93/1086421493.db2.gz OFWNWROLZKZPKM-QFBILLFUSA-N 1 0 319.412 2.307 10 30 DEEERO C[N@@H+]1C[C@@H]2CN(c3ncc(Br)cc3C#N)C[C@]2(C)C1 ZINC000702435010 1086433952 /nfs/dbraw/zinc/43/39/52/1086433952.db2.gz ICBHRGDCZGDTCV-RISCZKNCSA-N 1 0 321.222 2.104 10 30 DEEERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000090539739 185301645 /nfs/dbraw/zinc/30/16/45/185301645.db2.gz VYYNAJHEWJAGJO-GXTWGEPZSA-N 1 0 307.781 2.165 10 30 DEEERO CN(c1cccnn1)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191998708 530037339 /nfs/dbraw/zinc/03/73/39/530037339.db2.gz WVDKSQFIFWVNNS-UHFFFAOYSA-N 1 0 306.413 2.429 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2OC)C1 ZINC000625704059 365877157 /nfs/dbraw/zinc/87/71/57/365877157.db2.gz RRHNZNHMXOKNRK-DOTOQJQBSA-N 1 0 305.418 2.471 10 30 DEEERO C=C[C@](C)(O)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000616418098 362851760 /nfs/dbraw/zinc/85/17/60/362851760.db2.gz HVJWZSIZYKXGBK-HNNXBMFYSA-N 1 0 309.435 2.175 10 30 DEEERO CC[NH+](CC)CCN1C(=O)c2c(cccc2N(C)C)[C@H]1C#N ZINC000071679320 191005018 /nfs/dbraw/zinc/00/50/18/191005018.db2.gz YNIJOHMVBAPGOT-OAHLLOKOSA-N 1 0 300.406 2.115 10 30 DEEERO C[C@@H]1C[NH2+]C[C@@H](COc2ccc(C#N)c(C(F)(F)F)c2)O1 ZINC000133611405 186000014 /nfs/dbraw/zinc/00/00/14/186000014.db2.gz OXGRFJJRPWOATF-SKDRFNHKSA-N 1 0 300.280 2.333 10 30 DEEERO Cc1ccc(C(=O)N2CCS[C@@H](C)[C@H]2C)cc1C#CC[NH3+] ZINC000133672688 186005522 /nfs/dbraw/zinc/00/55/22/186005522.db2.gz YGKXKXZIZLMPLV-KGLIPLIRSA-N 1 0 302.443 2.271 10 30 DEEERO [NH3+]CC#Cc1ccsc1CNC(=O)c1ccc(Cl)cc1O ZINC000148668943 186045490 /nfs/dbraw/zinc/04/54/90/186045490.db2.gz HDXKTBIUKOUXPQ-UHFFFAOYSA-N 1 0 320.801 2.347 10 30 DEEERO C=CCc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc(OC)c1O ZINC000159569326 186127961 /nfs/dbraw/zinc/12/79/61/186127961.db2.gz MNALYIBMAICJIX-IUODEOHRSA-N 1 0 318.417 2.215 10 30 DEEERO Cc1ccc(C#CC[NH3+])c(NS(=O)(=O)c2ccccc2)c1 ZINC000164269719 186154041 /nfs/dbraw/zinc/15/40/41/186154041.db2.gz AIQZRWBCKWWODA-UHFFFAOYSA-N 1 0 300.383 2.106 10 30 DEEERO COc1ccc(C#N)cc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000264264924 186333064 /nfs/dbraw/zinc/33/30/64/186333064.db2.gz SMLOVAYLZSTAKY-CQSZACIVSA-N 1 0 314.389 2.269 10 30 DEEERO C[C@@H]1C[C@@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329248927 539916441 /nfs/dbraw/zinc/91/64/41/539916441.db2.gz WWFHQURCYDAYEO-ORIJERBGSA-N 1 0 319.453 2.057 10 30 DEEERO O=C(C[N+]12CCC(CC1)C(=O)C2)c1ccc(Br)cc1 ZINC000003171368 180988222 /nfs/dbraw/zinc/98/82/22/180988222.db2.gz TULYQLKMVUAGSQ-UHFFFAOYSA-N 1 0 323.210 2.441 10 30 DEEERO CCOC(=NC(=O)c1ccc(C)cc1)NCC[NH+]1CCCC1 ZINC000004405788 353992530 /nfs/dbraw/zinc/99/25/30/353992530.db2.gz UNUBDVUILHPFFQ-UHFFFAOYSA-N 1 0 303.406 2.213 10 30 DEEERO C=CCCO[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000066320258 354709141 /nfs/dbraw/zinc/70/91/41/354709141.db2.gz PGQCVBNWDCFZTG-DOTOQJQBSA-N 1 0 304.434 2.257 10 30 DEEERO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)[C@@H](C)O ZINC000445589581 540185194 /nfs/dbraw/zinc/18/51/94/540185194.db2.gz UJURWGSUVLHIJW-KGLIPLIRSA-N 1 0 324.494 2.354 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000185238870 356204341 /nfs/dbraw/zinc/20/43/41/356204341.db2.gz RUPQGKJZKUMPEG-IRXDYDNUSA-N 1 0 319.449 2.088 10 30 DEEERO N#Cc1ccc2ncc(CN3CCC[C@@H]3C[NH+]3CCCC3)n2c1 ZINC000179643690 283201282 /nfs/dbraw/zinc/20/12/82/283201282.db2.gz FSSNLKKKYGMCTK-MRXNPFEDSA-N 1 0 309.417 2.266 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000593094847 358008622 /nfs/dbraw/zinc/00/86/22/358008622.db2.gz IOAJSLSTFDBLCM-ZIAGYGMSSA-N 1 0 315.417 2.049 10 30 DEEERO CC[NH+]1CCN(c2ccccc2NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000180192651 199128915 /nfs/dbraw/zinc/12/89/15/199128915.db2.gz HONNZVANTXVOAL-UHFFFAOYSA-N 1 0 323.400 2.281 10 30 DEEERO C=CCOc1cccc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000180227990 199133549 /nfs/dbraw/zinc/13/35/49/199133549.db2.gz OEBIOTCBFLGFHX-APWZRJJASA-N 1 0 316.445 2.404 10 30 DEEERO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNCc2ccc(C#N)o2)C1 ZINC000594996289 358374828 /nfs/dbraw/zinc/37/48/28/358374828.db2.gz WTOJOYSHYCRCLU-KRWDZBQOSA-N 1 0 324.428 2.057 10 30 DEEERO C=CC[C@]1(C(=O)Nc2cccc(CC(=O)OC)c2)CCC[NH2+]1 ZINC000595935900 358583389 /nfs/dbraw/zinc/58/33/89/358583389.db2.gz JLJHHYORJWRNGJ-QGZVFWFLSA-N 1 0 302.374 2.039 10 30 DEEERO C=C(C)[C@H](CO)[NH+]1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599555540 359525095 /nfs/dbraw/zinc/52/50/95/359525095.db2.gz OSOONKHLYDELOM-LBPRGKRZSA-N 1 0 310.419 2.046 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH+]1[C@H](C)CC(C(=O)OC)C[C@H]1C ZINC000599702697 359580066 /nfs/dbraw/zinc/58/00/66/359580066.db2.gz BBCMJBLXEBRDAM-ZIAGYGMSSA-N 1 0 310.438 2.073 10 30 DEEERO Cn1cc(C[N@H+](C)CC2(CO)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000186771360 200007431 /nfs/dbraw/zinc/00/74/31/200007431.db2.gz DNZGCURFBQTIII-UHFFFAOYSA-N 1 0 310.401 2.163 10 30 DEEERO C[C@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000187909582 200174701 /nfs/dbraw/zinc/17/47/01/200174701.db2.gz KTESMFBWIGYNBO-KBXCAEBGSA-N 1 0 315.417 2.370 10 30 DEEERO C=C(C)C[C@@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)C(=O)OC ZINC000602601747 360451841 /nfs/dbraw/zinc/45/18/41/360451841.db2.gz SIHBBNWZFGORLY-HUUCEWRRSA-N 1 0 304.390 2.091 10 30 DEEERO N#Cc1cc(N2CC[NH+](C3CC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000610274562 361377425 /nfs/dbraw/zinc/37/74/25/361377425.db2.gz DXPWGQXJYCZLPL-UHFFFAOYSA-N 1 0 323.356 2.299 10 30 DEEERO C[C@H](NC(=O)c1ccnc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193786881 201122847 /nfs/dbraw/zinc/12/28/47/201122847.db2.gz UWGWOZKSCWLOIC-DZGCQCFKSA-N 1 0 312.417 2.336 10 30 DEEERO C=C(C)CC[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000623538455 365069522 /nfs/dbraw/zinc/06/95/22/365069522.db2.gz FEFKPGPDZJRTJD-UHFFFAOYSA-N 1 0 324.384 2.262 10 30 DEEERO C=CCC[C@H](CCC)[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000624080520 365280434 /nfs/dbraw/zinc/28/04/34/365280434.db2.gz SROLCCBJDMYHFF-FUHWJXTLSA-N 1 0 310.482 2.327 10 30 DEEERO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000624265856 365361499 /nfs/dbraw/zinc/36/14/99/365361499.db2.gz AKKYCOBLSFSETN-LZLYRXPVSA-N 1 0 303.450 2.473 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000449873528 241197527 /nfs/dbraw/zinc/19/75/27/241197527.db2.gz UFZUNHKSSYSULG-KRWDZBQOSA-N 1 0 322.412 2.291 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(C2CC[NH+](C3CCCC3)CC2)C1=O ZINC000630968395 367941327 /nfs/dbraw/zinc/94/13/27/367941327.db2.gz USUCMVVHHYPTJL-OAHLLOKOSA-N 1 0 305.422 2.280 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(CC[N@@H+](C)Cc2ccc(F)cc2)C1=O ZINC000630975748 367946529 /nfs/dbraw/zinc/94/65/29/367946529.db2.gz NQYLMYORPFHXBO-OAHLLOKOSA-N 1 0 319.380 2.144 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CCN(OC)CC1)C(C)C ZINC000631274802 368115992 /nfs/dbraw/zinc/11/59/92/368115992.db2.gz TVMTVHFWDVYHJV-KRWDZBQOSA-N 1 0 323.481 2.075 10 30 DEEERO [NH3+]CC#Cc1cnc(NC(=O)[C@H]2Cc3ccccc3S2)s1 ZINC000092232652 193177352 /nfs/dbraw/zinc/17/73/52/193177352.db2.gz BZZUJFPIJJSWMY-CYBMUJFWSA-N 1 0 315.423 2.109 10 30 DEEERO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC23CCCC3)nc1 ZINC000451464653 243001115 /nfs/dbraw/zinc/00/11/15/243001115.db2.gz ZICOKUFIVTZQNG-AWEZNQCLSA-N 1 0 319.430 2.039 10 30 DEEERO C=CCSc1ccccc1NC(=O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844173 368421345 /nfs/dbraw/zinc/42/13/45/368421345.db2.gz VNZCZDNHDWJZDO-ZIAGYGMSSA-N 1 0 319.474 2.430 10 30 DEEERO C=C1CC(C)(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000631992143 368483720 /nfs/dbraw/zinc/48/37/20/368483720.db2.gz PHCQRARCUNMOHF-UHFFFAOYSA-N 1 0 319.493 2.360 10 30 DEEERO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc(C#N)n1C)c1ccco1 ZINC000451676317 243294152 /nfs/dbraw/zinc/29/41/52/243294152.db2.gz SHLLHMGWIZKOAS-GXTWGEPZSA-N 1 0 314.389 2.349 10 30 DEEERO C=CCN1C(=[NH2+])NC[C@H]1c1cc(Cl)c2c(c1)OCCCO2 ZINC000093375303 193241088 /nfs/dbraw/zinc/24/10/88/193241088.db2.gz SIJVGINEYSALRJ-LBPRGKRZSA-N 1 0 307.781 2.359 10 30 DEEERO Cc1cc(C(=O)NCCc2ccsc2)sc1C#CC[NH3+] ZINC000094536461 193378088 /nfs/dbraw/zinc/37/80/88/193378088.db2.gz ULNKCWYQDWLQLF-UHFFFAOYSA-N 1 0 304.440 2.401 10 30 DEEERO C[N@H+](CC/C(N)=N/O)Cc1ccc(F)c(Br)c1 ZINC000019834087 182154826 /nfs/dbraw/zinc/15/48/26/182154826.db2.gz ACMYQBWCPUAFNG-UHFFFAOYSA-N 1 0 304.163 2.157 10 30 DEEERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CCC#N)cc1 ZINC000042451302 183271962 /nfs/dbraw/zinc/27/19/62/183271962.db2.gz WVFQCZRQAHSRDM-CYBMUJFWSA-N 1 0 309.435 2.281 10 30 DEEERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C[C@@H](C)C#N)c1 ZINC000042461385 183272627 /nfs/dbraw/zinc/27/26/27/183272627.db2.gz XSYJMJOMNAFZRQ-QWHCGFSZSA-N 1 0 309.435 2.137 10 30 DEEERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N(CCC#N)C(C)C)c1 ZINC000042530102 183280893 /nfs/dbraw/zinc/28/08/93/183280893.db2.gz UPNHNVKPSRPPTF-OAHLLOKOSA-N 1 0 309.435 2.409 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1ccc(C#N)nc1 ZINC000284820725 218191038 /nfs/dbraw/zinc/19/10/38/218191038.db2.gz JNTJDCXZPUGPQR-KBXCAEBGSA-N 1 0 324.432 2.206 10 30 DEEERO C#CC[NH2+]CC(=O)N[C@@H](CC)c1ccc(Br)cc1 ZINC000105964448 194175070 /nfs/dbraw/zinc/17/50/70/194175070.db2.gz PHJNPFNVIPCDOZ-ZDUSSCGKSA-N 1 0 309.207 2.239 10 30 DEEERO CCC[C@H](C#N)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000109457719 194264910 /nfs/dbraw/zinc/26/49/10/194264910.db2.gz TXOVMYOKJTYESI-CYBMUJFWSA-N 1 0 307.360 2.265 10 30 DEEERO CCN(CCC(=O)Nc1sccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000110942972 194372502 /nfs/dbraw/zinc/37/25/02/194372502.db2.gz XOKNQGOVCZRBLQ-CYBMUJFWSA-N 1 0 306.435 2.022 10 30 DEEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccsc2)c1 ZINC000158822559 197303593 /nfs/dbraw/zinc/30/35/93/197303593.db2.gz YDYGMOUUPSDFOB-UHFFFAOYSA-N 1 0 306.412 2.183 10 30 DEEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)NCC(F)(F)F)c1 ZINC000158103931 197243402 /nfs/dbraw/zinc/24/34/02/197243402.db2.gz UJEMLFQGIRWDJS-UHFFFAOYSA-N 1 0 305.687 2.334 10 30 DEEERO CN(Cc1ccc(C#CC[NH3+])cc1)C(=O)[C@@H]1CCCCS1 ZINC000156279158 197100836 /nfs/dbraw/zinc/10/08/36/197100836.db2.gz NFLKUCXRSYUROQ-INIZCTEOSA-N 1 0 302.443 2.241 10 30 DEEERO C=CC[N@H+]1CC[C@H]2[C@H]1CCN2S(=O)(=O)Cc1ccc(C)cc1 ZINC000247913260 257114194 /nfs/dbraw/zinc/11/41/94/257114194.db2.gz MBSQLBWJNVPDRC-SJORKVTESA-N 1 0 320.458 2.159 10 30 DEEERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccccc2C#N)[C@@H](C)C1 ZINC000247209738 145128979 /nfs/dbraw/zinc/12/89/79/145128979.db2.gz CDVLQYFXAZLXDU-HOCLYGCPSA-N 1 0 315.417 2.126 10 30 DEEERO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(C#N)cc1F ZINC000358575454 147159707 /nfs/dbraw/zinc/15/97/07/147159707.db2.gz SRJCUXVQJDNCIB-LLVKDONJSA-N 1 0 310.394 2.173 10 30 DEEERO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(F)c(F)c1 ZINC000007018597 401735568 /nfs/dbraw/zinc/73/55/68/401735568.db2.gz KOYSAECJTOAHGD-QLJPJBMISA-N 1 0 307.344 2.424 10 30 DEEERO C=CCNc1ncc(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)s1 ZINC000129559195 401805705 /nfs/dbraw/zinc/80/57/05/401805705.db2.gz ZTPZLZATFVNFIY-LBPRGKRZSA-N 1 0 308.451 2.297 10 30 DEEERO C#CCCOc1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1 ZINC000113338985 401777023 /nfs/dbraw/zinc/77/70/23/401777023.db2.gz RVSYPGCOSBGGJT-IBGZPJMESA-N 1 0 314.429 2.042 10 30 DEEERO C=C(C)COCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000151479201 402038539 /nfs/dbraw/zinc/03/85/39/402038539.db2.gz CUBSPBVQDJZVKJ-MRXNPFEDSA-N 1 0 309.454 2.239 10 30 DEEERO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000062499429 402110485 /nfs/dbraw/zinc/11/04/85/402110485.db2.gz SOPFJKPDXAXQBE-QGZVFWFLSA-N 1 0 317.408 2.455 10 30 DEEERO C=CCc1cc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)cc(OC)c1O ZINC000153855681 402175809 /nfs/dbraw/zinc/17/58/09/402175809.db2.gz HSXIYBVKIXBUGP-INIZCTEOSA-N 1 0 318.417 2.230 10 30 DEEERO C[C@@H](CNC(=O)c1cc(C#N)cn1C)[N@@H+]1CCc2ccccc2C1 ZINC000176674087 402327565 /nfs/dbraw/zinc/32/75/65/402327565.db2.gz UCONBMOHPGUFHW-AWEZNQCLSA-N 1 0 322.412 2.073 10 30 DEEERO C#CCCOc1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1 ZINC000162609355 402426018 /nfs/dbraw/zinc/42/60/18/402426018.db2.gz LJFIHKQJDDKJLP-UHFFFAOYSA-N 1 0 314.429 2.389 10 30 DEEERO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](C)CS(C)(=O)=O ZINC000162864103 402434688 /nfs/dbraw/zinc/43/46/88/402434688.db2.gz WRJZEGPTLULABW-CQSZACIVSA-N 1 0 308.447 2.451 10 30 DEEERO C#CCOCCC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000163410141 402449022 /nfs/dbraw/zinc/44/90/22/402449022.db2.gz IHRSYIRPCAEJPM-LJQANCHMSA-N 1 0 314.429 2.197 10 30 DEEERO C[C@H]1C[N@@H+](C2CCN(Cc3cc(F)ccc3C#N)CC2)CCO1 ZINC000177318907 402391221 /nfs/dbraw/zinc/39/12/21/402391221.db2.gz WHWJFMRQUNFIBJ-AWEZNQCLSA-N 1 0 317.408 2.382 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N(CC)CCc2nccs2)CC1 ZINC000178830004 402544207 /nfs/dbraw/zinc/54/42/07/402544207.db2.gz XBXDRZJDQNFMFA-UHFFFAOYSA-N 1 0 322.478 2.368 10 30 DEEERO C#Cc1cccc(NC(=O)CN(C)C[C@@H](O)C2CCCCC2)c1 ZINC000190402789 402597883 /nfs/dbraw/zinc/59/78/83/402597883.db2.gz XDJKECYIKDBQSO-GOSISDBHSA-N 1 0 314.429 2.479 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000171728420 402615805 /nfs/dbraw/zinc/61/58/05/402615805.db2.gz ZJKIDUJBMLDPHQ-OAHLLOKOSA-N 1 0 301.390 2.070 10 30 DEEERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(OCC#N)cc1 ZINC000182000095 402663511 /nfs/dbraw/zinc/66/35/11/402663511.db2.gz BCPBAWACDBSRJO-CQSZACIVSA-N 1 0 301.390 2.252 10 30 DEEERO C[C@@H]1CCC[C@@](CNC(=O)c2ccnc(C#N)c2)([NH+](C)C)C1 ZINC000192837019 402753192 /nfs/dbraw/zinc/75/31/92/402753192.db2.gz TXIRUAUDZPURJZ-CXAGYDPISA-N 1 0 300.406 2.194 10 30 DEEERO C#CCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000175020371 402772062 /nfs/dbraw/zinc/77/20/62/402772062.db2.gz NIEXQVUBYRRFML-WBVHZDCISA-N 1 0 314.433 2.005 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccccc1C#N ZINC000175035261 402773170 /nfs/dbraw/zinc/77/31/70/402773170.db2.gz YVBWMOMFSDOANI-JKSUJKDBSA-N 1 0 313.401 2.022 10 30 DEEERO C=CCCCC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000267298002 403034153 /nfs/dbraw/zinc/03/41/53/403034153.db2.gz KRGOTYSWFUYETP-UHFFFAOYSA-N 1 0 304.438 2.162 10 30 DEEERO C=C(C)C[C@H](C)c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000347159994 403619376 /nfs/dbraw/zinc/61/93/76/403619376.db2.gz OOWNOMASRPOFKJ-ZDUSSCGKSA-N 1 0 320.437 2.234 10 30 DEEERO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000347254488 403638533 /nfs/dbraw/zinc/63/85/33/403638533.db2.gz IBTGXKDSXMEPIT-BHYGNILZSA-N 1 0 300.402 2.337 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000362238263 403938130 /nfs/dbraw/zinc/93/81/30/403938130.db2.gz VWOHROOXQRHGOW-MAUKXSAKSA-N 1 0 308.466 2.354 10 30 DEEERO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000336927777 403951559 /nfs/dbraw/zinc/95/15/59/403951559.db2.gz YKCFXXUTNDSNHK-LZLYRXPVSA-N 1 0 321.465 2.154 10 30 DEEERO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)C1=O ZINC000337167239 403969818 /nfs/dbraw/zinc/96/98/18/403969818.db2.gz ASNCVVRMDAOXCC-KMFMINBZSA-N 1 0 300.402 2.097 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCn2cc(C)nc21 ZINC000328660352 404127277 /nfs/dbraw/zinc/12/72/77/404127277.db2.gz VGANPYIZRVCIIV-LSDHHAIUSA-N 1 0 319.453 2.057 10 30 DEEERO C[C@H](O)C[C@@H]1CCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000328709031 404137170 /nfs/dbraw/zinc/13/71/70/404137170.db2.gz MIUSNPQEIKWAAI-IXIBIKRGSA-N 1 0 309.454 2.151 10 30 DEEERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000329148314 404244264 /nfs/dbraw/zinc/24/42/64/404244264.db2.gz PPJMOTBWGKFANX-UONOGXRCSA-N 1 0 321.465 2.464 10 30 DEEERO C=CCOc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1 ZINC000355428384 404333656 /nfs/dbraw/zinc/33/36/56/404333656.db2.gz ZUYCMTGAUYAVDC-UHFFFAOYSA-N 1 0 309.431 2.308 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329322639 404301915 /nfs/dbraw/zinc/30/19/15/404301915.db2.gz HEALVOCXVGDBOM-RBSFLKMASA-N 1 0 322.453 2.072 10 30 DEEERO C#CCCOc1ccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1 ZINC000296556464 404304189 /nfs/dbraw/zinc/30/41/89/404304189.db2.gz PEEUXMMTUGQBNR-GJZGRUSLSA-N 1 0 300.402 2.253 10 30 DEEERO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC[N@@H+]1C ZINC000329706983 404428908 /nfs/dbraw/zinc/42/89/08/404428908.db2.gz KHMZKRLMXJCTOM-YHUYYLMFSA-N 1 0 324.465 2.241 10 30 DEEERO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC)CC1 ZINC000350623097 404424966 /nfs/dbraw/zinc/42/49/66/404424966.db2.gz KMTRRFPZMFQCRD-UHFFFAOYSA-N 1 0 322.416 2.145 10 30 DEEERO C#Cc1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000297106313 404454118 /nfs/dbraw/zinc/45/41/18/404454118.db2.gz YHVFNIMWGVWKHJ-UHFFFAOYSA-N 1 0 311.429 2.342 10 30 DEEERO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352563156 404459239 /nfs/dbraw/zinc/45/92/39/404459239.db2.gz PAXXZGDHBWDPHD-HUUCEWRRSA-N 1 0 302.484 2.335 10 30 DEEERO Cc1cc(C[C@@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[nH]n1 ZINC000330191329 404580202 /nfs/dbraw/zinc/58/02/02/404580202.db2.gz WYWWHFPDZJSHOD-BPZRQAJTSA-N 1 0 319.453 2.168 10 30 DEEERO CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000330282219 404612947 /nfs/dbraw/zinc/61/29/47/404612947.db2.gz ALWVXYWSQFSGHR-DRPJVOAASA-N 1 0 320.437 2.420 10 30 DEEERO C=C(C)Cn1c(CC2CC2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000359248344 404787952 /nfs/dbraw/zinc/78/79/52/404787952.db2.gz BNUAAPPBFYCBCA-ZBFHGGJFSA-N 1 0 315.465 2.480 10 30 DEEERO COC(=O)CCCN1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000361119076 404927709 /nfs/dbraw/zinc/92/77/09/404927709.db2.gz ZTFDGRNPWAGOCK-UHFFFAOYSA-N 1 0 321.465 2.324 10 30 DEEERO C=CC[C@@H](CO)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415958324 404984941 /nfs/dbraw/zinc/98/49/41/404984941.db2.gz WXFZDRBFBFWSML-NSHDSACASA-N 1 0 317.311 2.223 10 30 DEEERO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000408043068 405096876 /nfs/dbraw/zinc/09/68/76/405096876.db2.gz JIPOBLXEXQVSAH-BQFCYCMXSA-N 1 0 318.392 2.449 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000424298074 405061150 /nfs/dbraw/zinc/06/11/50/405061150.db2.gz RXJKQFKHFSZKST-YCPHGPKFSA-N 1 0 309.431 2.030 10 30 DEEERO C=C[C@H]1CCCCN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418322620 405122176 /nfs/dbraw/zinc/12/21/76/405122176.db2.gz CTWVNZRQOOLKGI-INIZCTEOSA-N 1 0 302.422 2.311 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000367866901 405178963 /nfs/dbraw/zinc/17/89/63/405178963.db2.gz WADPQFYODGXIBK-KRWDZBQOSA-N 1 0 311.429 2.111 10 30 DEEERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(C#N)n2C)C1 ZINC000448713740 405440927 /nfs/dbraw/zinc/44/09/27/405440927.db2.gz NHNRCXBOVYUZQU-GASCZTMLSA-N 1 0 316.449 2.385 10 30 DEEERO C=C(C)COc1cc(C[N@H+](C[C@H](O)CO)C(C)C)ccc1OC ZINC000421407617 405492851 /nfs/dbraw/zinc/49/28/51/405492851.db2.gz JOBAUNHKNCZQKB-INIZCTEOSA-N 1 0 323.433 2.214 10 30 DEEERO C=CC[C@]1(C(=O)N(C)Cc2c(C)nn(CC)c2C)CCC[NH2+]1 ZINC000638828308 405697768 /nfs/dbraw/zinc/69/77/68/405697768.db2.gz BRAUDLPXRRCQTD-QGZVFWFLSA-N 1 0 304.438 2.177 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450214113 405783988 /nfs/dbraw/zinc/78/39/88/405783988.db2.gz GTXGXRZWDLTCCH-UXBLZVDNSA-N 1 0 313.445 2.010 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC2(C1)CCCO2)C(C)C ZINC000636574268 406013938 /nfs/dbraw/zinc/01/39/38/406013938.db2.gz XUZNBJDXEAIFSW-INIZCTEOSA-N 1 0 321.465 2.259 10 30 DEEERO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000565758224 406083366 /nfs/dbraw/zinc/08/33/66/406083366.db2.gz GQVCYWVSMLKFJE-NCOADZHNSA-N 1 0 315.417 2.075 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(SC)cc1 ZINC000564857892 406066453 /nfs/dbraw/zinc/06/64/53/406066453.db2.gz QMHUPNKRYIQWIW-ZQIUZPCESA-N 1 0 323.458 2.329 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634704039 406234995 /nfs/dbraw/zinc/23/49/95/406234995.db2.gz FFZDHQGYQXSWAH-AEFFLSMTSA-N 1 0 305.418 2.253 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000519706337 406239410 /nfs/dbraw/zinc/23/94/10/406239410.db2.gz LVVJRCMDNPFQHD-HOTGVXAUSA-N 1 0 323.481 2.038 10 30 DEEERO C=CCOc1cccnc1C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632869045 406299963 /nfs/dbraw/zinc/29/99/63/406299963.db2.gz YKSGKIBEKXUNAA-CQSZACIVSA-N 1 0 323.396 2.424 10 30 DEEERO C=CCCC[N@@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000638097134 406567136 /nfs/dbraw/zinc/56/71/36/406567136.db2.gz AQLPGNROGMWPNJ-UHFFFAOYSA-N 1 0 302.827 2.385 10 30 DEEERO CCC[C@H](COC)NC(=O)c1ccc(C#CC[NH3+])c(Cl)c1 ZINC000129172131 196025647 /nfs/dbraw/zinc/02/56/47/196025647.db2.gz SBQQOLCPZJQUDH-CQSZACIVSA-N 1 0 308.809 2.195 10 30 DEEERO COC[C@@H](NC(=O)c1ccc(C#CC[NH3+])c(Cl)c1)C(C)C ZINC000129184376 196026362 /nfs/dbraw/zinc/02/63/62/196026362.db2.gz ISDLDKVWIICWOU-OAHLLOKOSA-N 1 0 308.809 2.051 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c[nH]c(=O)cc1C)C(C)C ZINC000129862414 196081499 /nfs/dbraw/zinc/08/14/99/196081499.db2.gz ZAWGDRCTPDETHJ-INIZCTEOSA-N 1 0 317.433 2.112 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)C1CC[NH2+]CC1 ZINC000132443463 196256051 /nfs/dbraw/zinc/25/60/51/196256051.db2.gz CTSBIUHIZOWAQE-UHFFFAOYSA-N 1 0 308.179 2.259 10 30 DEEERO CC[C@@H](CSC)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000132616945 196271335 /nfs/dbraw/zinc/27/13/35/196271335.db2.gz XUFHNDORVBGAMA-ZDUSSCGKSA-N 1 0 312.460 2.063 10 30 DEEERO C[C@H]1C[NH2+]C[C@H](COc2ccc(Br)cc2C#N)O1 ZINC000133806936 196337201 /nfs/dbraw/zinc/33/72/01/196337201.db2.gz GPNLPIVQKNJMFN-JOYOIKCWSA-N 1 0 311.179 2.076 10 30 DEEERO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])NC1CCCCCC1 ZINC000262626605 225279676 /nfs/dbraw/zinc/27/96/76/225279676.db2.gz DQLLLYHFSWZSEN-XJKSGUPXSA-N 1 0 319.453 2.125 10 30 DEEERO C[C@]1(CNc2cc(C#N)ncn2)CCC[N@@H+]1Cc1ccccc1 ZINC000397927195 424921487 /nfs/dbraw/zinc/92/14/87/424921487.db2.gz RVSZQXDQTCWNRM-GOSISDBHSA-N 1 0 307.401 2.815 10 30 DEEERO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000284785361 424891400 /nfs/dbraw/zinc/89/14/00/424891400.db2.gz YPOGMYXZVVHUCS-KURKYZTESA-N 1 0 300.402 2.310 10 30 DEEERO C[NH+](C)Cc1ccccc1CNC(=O)Cc1cccc(C#N)c1 ZINC000531389069 267284374 /nfs/dbraw/zinc/28/43/74/267284374.db2.gz CKIIEEXXEQEXLX-UHFFFAOYSA-N 1 0 307.397 2.479 10 30 DEEERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000075609779 273640183 /nfs/dbraw/zinc/64/01/83/273640183.db2.gz ZGWBWIHMBHGAJV-UONOGXRCSA-N 1 0 303.406 2.172 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1SCCc2ccccc21 ZINC000262532766 274931797 /nfs/dbraw/zinc/93/17/97/274931797.db2.gz OIKOLRZSOOMEPF-DZGCQCFKSA-N 1 0 305.447 2.100 10 30 DEEERO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000285017472 275385160 /nfs/dbraw/zinc/38/51/60/275385160.db2.gz GTYKCKPIAHEVTO-MOPGFXCFSA-N 1 0 324.399 2.446 10 30 DEEERO C[NH+]=C(NCc1ncccc1C)N1CCC[C@]2(CCCOC2)C1 ZINC000262803196 275733931 /nfs/dbraw/zinc/73/39/31/275733931.db2.gz RPPGHMAQJXABIN-SFHVURJKSA-N 1 0 316.449 2.358 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000425400525 276920074 /nfs/dbraw/zinc/92/00/74/276920074.db2.gz YDFOLKRMVOTMTH-QEJZJMRPSA-N 1 0 323.462 2.241 10 30 DEEERO C=CCC1(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CCOCC1 ZINC000424839320 277825078 /nfs/dbraw/zinc/82/50/78/277825078.db2.gz PEBNHLGCMWPSPG-CVEARBPZSA-N 1 0 306.450 2.445 10 30 DEEERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC1CCC2(CC2)CC1 ZINC000330186093 289036083 /nfs/dbraw/zinc/03/60/83/289036083.db2.gz JMZWVSQSMDIQPR-UKRRQHHQSA-N 1 0 309.454 2.010 10 30 DEEERO CO[C@@](C)(CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000329635355 294064093 /nfs/dbraw/zinc/06/40/93/294064093.db2.gz ULPSIIXRKUYDLW-BTFYYFJDSA-N 1 0 309.454 2.320 10 30 DEEERO C=CCN1CC[C@@H]([NH2+]C(C)(C)c2ccc(OC)c(F)c2)C1=O ZINC000528680608 335652526 /nfs/dbraw/zinc/65/25/26/335652526.db2.gz UAJIVTOIPBPOGO-CQSZACIVSA-N 1 0 306.381 2.446 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000184806317 337200233 /nfs/dbraw/zinc/20/02/33/337200233.db2.gz YSHZQZQJSPGKOP-CQSZACIVSA-N 1 0 318.417 2.474 10 30 DEEERO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000072716132 341100615 /nfs/dbraw/zinc/10/06/15/341100615.db2.gz VGARGAQINVXVRD-RDJZCZTQSA-N 1 0 321.465 2.418 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000079252734 341255787 /nfs/dbraw/zinc/25/57/87/341255787.db2.gz MXYDFOBUQBQWFD-CQSZACIVSA-N 1 0 323.462 2.166 10 30 DEEERO C=CCCCC[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000568836985 341683151 /nfs/dbraw/zinc/68/31/51/341683151.db2.gz VZASSVRAINTZIA-INIZCTEOSA-N 1 0 307.482 2.408 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C#N)ccn1)C(C)C ZINC000287453219 500578032 /nfs/dbraw/zinc/57/80/32/500578032.db2.gz GROOJIJXRVEGNR-QGZVFWFLSA-N 1 0 312.417 2.382 10 30 DEEERO C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(OC)c1OC)C1CC1 ZINC000036103708 518988992 /nfs/dbraw/zinc/98/89/92/518988992.db2.gz LZQDXNJYJPHIPV-INIZCTEOSA-N 1 0 321.417 2.232 10 30 DEEERO C[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N(C)Cc1ccc[nH]1 ZINC000262772653 526369134 /nfs/dbraw/zinc/36/91/34/526369134.db2.gz IHWNULSMMBKKOE-OAHLLOKOSA-N 1 0 320.824 2.409 10 30 DEEERO C[NH+]=C(NC[C@](C)(O)c1ccco1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261784481 526378160 /nfs/dbraw/zinc/37/81/60/526378160.db2.gz QHKVTFDWOQNPPX-VBQJREDUSA-N 1 0 305.422 2.185 10 30 DEEERO C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N(C)Cc1csc(C)n1 ZINC000261846144 526378717 /nfs/dbraw/zinc/37/87/17/526378717.db2.gz WUZAFLAGXHZGQZ-HOCLYGCPSA-N 1 0 324.494 2.400 10 30 DEEERO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261868750 526379436 /nfs/dbraw/zinc/37/94/36/526379436.db2.gz ZLBUUHNVUNOTAM-YQQAZPJKSA-N 1 0 324.538 2.121 10 30 DEEERO C[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1CCc2ccccc2C1 ZINC000262293906 526386284 /nfs/dbraw/zinc/38/62/84/526386284.db2.gz ZDNPWWNCPHFMRK-MRXNPFEDSA-N 1 0 309.417 2.008 10 30 DEEERO C[NH+]=C(NCc1ccnn1C)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000262002141 526387702 /nfs/dbraw/zinc/38/77/02/526387702.db2.gz URJCJDZAEIEBTI-LBPRGKRZSA-N 1 0 303.385 2.294 10 30 DEEERO C=CCN1CC[C@H]([N@H+](CC)[C@@H](COC)Cc2ccccc2)C1=O ZINC000337188247 526504536 /nfs/dbraw/zinc/50/45/36/526504536.db2.gz QDKZJRCRSBLRFR-MSOLQXFVSA-N 1 0 316.445 2.353 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368620686 526524877 /nfs/dbraw/zinc/52/48/77/526524877.db2.gz CLDQKPQIFWUQIL-QGZVFWFLSA-N 1 0 301.434 2.371 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375294757 526631972 /nfs/dbraw/zinc/63/19/72/526631972.db2.gz XJZMWRYQUKFLGB-ZDUSSCGKSA-N 1 0 323.387 2.168 10 30 DEEERO C=CCOCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000367852763 526780752 /nfs/dbraw/zinc/78/07/52/526780752.db2.gz GGISKSZZURCLQE-QGZVFWFLSA-N 1 0 302.418 2.217 10 30 DEEERO C=CCOc1ccc(CN2CC[N@H+](CCO)[C@@H](C)C2)cc1Cl ZINC000190244376 526869801 /nfs/dbraw/zinc/86/98/01/526869801.db2.gz UBOIXZLTFGDEOW-AWEZNQCLSA-N 1 0 324.852 2.403 10 30 DEEERO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000195377796 527027096 /nfs/dbraw/zinc/02/70/96/527027096.db2.gz DHWPIKJBHOJOPD-STQMWFEESA-N 1 0 305.447 2.023 10 30 DEEERO C#CCOc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000368022499 527095352 /nfs/dbraw/zinc/09/53/52/527095352.db2.gz QEKZSKMSBWOLJR-AEFFLSMTSA-N 1 0 312.413 2.303 10 30 DEEERO C#CCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000362365149 527106688 /nfs/dbraw/zinc/10/66/88/527106688.db2.gz QMSGXUGZXQBLBZ-AEFFLSMTSA-N 1 0 301.386 2.126 10 30 DEEERO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000341877640 527189792 /nfs/dbraw/zinc/18/97/92/527189792.db2.gz MCCNGNQZZVVYEE-JSGCOSHPSA-N 1 0 306.406 2.489 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247471197 527626600 /nfs/dbraw/zinc/62/66/00/527626600.db2.gz JGISEMAUBVSTPW-ZBFHGGJFSA-N 1 0 302.422 2.146 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441280841 527633758 /nfs/dbraw/zinc/63/37/58/527633758.db2.gz DFPDKJZDESEYGB-GVDBMIGSSA-N 1 0 306.450 2.324 10 30 DEEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192355207 527932642 /nfs/dbraw/zinc/93/26/42/527932642.db2.gz CHZKAECEJFOYSB-YJBOKZPZSA-N 1 0 315.417 2.414 10 30 DEEERO CCC[NH+](CCC)CCCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371620706 528054474 /nfs/dbraw/zinc/05/44/74/528054474.db2.gz CPCWVVQDZXSJBL-KRWDZBQOSA-N 1 0 320.481 2.087 10 30 DEEERO CC[NH+]=C(NCC1(C)CC1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262005223 528802067 /nfs/dbraw/zinc/80/20/67/528802067.db2.gz VLHLEAQWZMXBAW-CQSZACIVSA-N 1 0 302.422 2.300 10 30 DEEERO CC[NH+]=C(NCc1cc(F)cc2c1OCOC2)N[C@@H]1C[C@@H]1C ZINC000083910361 528816570 /nfs/dbraw/zinc/81/65/70/528816570.db2.gz GXRCPBOYBCGJLD-IINYFYTJSA-N 1 0 307.369 2.156 10 30 DEEERO CC[NH+]=C(N[C@@H]1C[C@@H](OCC)C12CCC2)NC1CCOCC1 ZINC000130254113 528820425 /nfs/dbraw/zinc/82/04/25/528820425.db2.gz FSBCAEAQXXZMTE-HUUCEWRRSA-N 1 0 309.454 2.068 10 30 DEEERO C=C(Br)CNC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000177440001 623463484 /nfs/dbraw/zinc/46/34/84/623463484.db2.gz JCOYCVPSZJCBSG-LLVKDONJSA-N 1 0 304.232 2.021 10 30 DEEERO CCCCOc1ccc(CCNC(=[NH2+])NC[C@H]2CCCO2)cc1 ZINC000066243501 625057259 /nfs/dbraw/zinc/05/72/59/625057259.db2.gz WNXAXDCHYMMGSU-QGZVFWFLSA-N 1 0 319.449 2.491 10 30 DEEERO CCN(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)c1ccsc1 ZINC000161501041 625100871 /nfs/dbraw/zinc/10/08/71/625100871.db2.gz OLNNQMHIMCULGA-CABCVRRESA-N 1 0 324.494 2.214 10 30 DEEERO COc1ccc(C[NH2+]Cc2ccc3c(c2)nnn3C)cc1C#N ZINC000746741624 638374173 /nfs/dbraw/zinc/37/41/73/638374173.db2.gz OBVXPIYJGGJSBM-UHFFFAOYSA-N 1 0 307.357 2.138 10 30 DEEERO CC[C@H](C(=O)NCc1ccc(OC)c(C#N)c1)[NH+](CC)CC ZINC000747064264 638403377 /nfs/dbraw/zinc/40/33/77/638403377.db2.gz LGPTYVNUKNJNEO-OAHLLOKOSA-N 1 0 303.406 2.303 10 30 DEEERO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1C#N ZINC000747078171 638405446 /nfs/dbraw/zinc/40/54/46/638405446.db2.gz DEFXUZMIFLMYLE-CQSZACIVSA-N 1 0 315.417 2.448 10 30 DEEERO N#Cc1cccnc1N1CC[NH+](CCCCCCCO)CC1 ZINC000173463282 646769513 /nfs/dbraw/zinc/76/95/13/646769513.db2.gz GUGPFZZAGMVNST-UHFFFAOYSA-N 1 0 302.422 2.018 10 30 DEEERO C=CCCC[N@@H+](C)Cn1cc(I)cn1 ZINC000151515514 646837934 /nfs/dbraw/zinc/83/79/34/646837934.db2.gz HLEFBLGAEVVZSP-UHFFFAOYSA-N 1 0 305.163 2.343 10 30 DEEERO C#CCOc1cccc(NC(=O)NC[C@H]2CC[N@@H+](CC)C2)c1 ZINC000731111182 647448065 /nfs/dbraw/zinc/44/80/65/647448065.db2.gz RKSRBZLKXNFEQT-CQSZACIVSA-N 1 0 301.390 2.162 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cnn(CC(C)C)c1 ZINC000181752393 648742330 /nfs/dbraw/zinc/74/23/30/648742330.db2.gz OJNWKXDSDPOUCT-OAHLLOKOSA-N 1 0 305.422 2.430 10 30 DEEERO CCOCCCNC(=[NH2+])NCc1nc2ccccc2n1C1CC1 ZINC000183836511 649178336 /nfs/dbraw/zinc/17/83/36/649178336.db2.gz HCPLKVMIFGLWIJ-UHFFFAOYSA-N 1 0 315.421 2.202 10 30 DEEERO C[C@@](O)(CNC(=[NH2+])NCCc1cccs1)c1ccccc1 ZINC000304774748 685260637 /nfs/dbraw/zinc/26/06/37/685260637.db2.gz BZZQBEMRYSYJJD-MRXNPFEDSA-N 1 0 303.431 2.103 10 30 DEEERO C[C@](O)(CNC(=[NH2+])NCCc1cccs1)c1ccsc1 ZINC000304797648 685261780 /nfs/dbraw/zinc/26/17/80/685261780.db2.gz NJMASPCSKTWWJW-AWEZNQCLSA-N 1 0 309.460 2.164 10 30 DEEERO C[C@](O)(CNC(=[NH2+])NCCc1cccs1)c1cccs1 ZINC000304786974 685262150 /nfs/dbraw/zinc/26/21/50/685262150.db2.gz IRYHHELQTFFLGC-AWEZNQCLSA-N 1 0 309.460 2.164 10 30 DEEERO CCc1nc(CNC(NCc2nc(C)cs2)=[NH+]C)cs1 ZINC000078251020 683959722 /nfs/dbraw/zinc/95/97/22/683959722.db2.gz ZNUDUEUZEWMVLI-UHFFFAOYSA-N 1 0 309.464 2.336 10 30 DEEERO C[NH+]=C(NCc1cccc(OC)n1)N1CCc2ccccc2C1 ZINC000103888400 684057957 /nfs/dbraw/zinc/05/79/57/684057957.db2.gz YOWBMTSUGAYDAB-UHFFFAOYSA-N 1 0 310.401 2.224 10 30 DEEERO C#CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000120082369 684091798 /nfs/dbraw/zinc/09/17/98/684091798.db2.gz VLCBHLHHDOKKTN-HZPDHXFCSA-N 1 0 300.402 2.222 10 30 DEEERO Cc1cccc([C@@H](O)C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000136485188 684240607 /nfs/dbraw/zinc/24/06/07/684240607.db2.gz RQPPOMBYNNFCTM-KRWDZBQOSA-N 1 0 306.369 2.338 10 30 DEEERO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N+]12CCN(CC1)CC2 ZINC000029227867 717117862 /nfs/dbraw/zinc/11/78/62/717117862.db2.gz CCRKVFYYQCUVDL-UONOGXRCSA-O 1 0 322.860 2.052 10 30 DEEERO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000715067401 792380368 /nfs/dbraw/zinc/38/03/68/792380368.db2.gz PUTRUCRRNWBSNM-PHIMTYICSA-N 1 0 322.434 2.408 10 30 DEEERO C[C@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)C[NH+]1CCCC1 ZINC000078965090 185136316 /nfs/dbraw/zinc/13/63/16/185136316.db2.gz HCZKVLQHFKCYHL-CABCVRRESA-N 1 0 315.417 2.174 10 30 DEEERO CCN(Cc1cc(OC)ccc1C#CC[NH3+])CC(F)(F)F ZINC000087791896 185232154 /nfs/dbraw/zinc/23/21/54/185232154.db2.gz HLPVOUVHJHXHFI-UHFFFAOYSA-N 1 0 300.324 2.390 10 30 DEEERO COc1ccc(C#CCO)c(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1 ZINC000087787318 185231628 /nfs/dbraw/zinc/23/16/28/185231628.db2.gz KDUNHOUMFYHIFJ-KBPBESRZSA-N 1 0 305.443 2.365 10 30 DEEERO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000328621964 529793783 /nfs/dbraw/zinc/79/37/83/529793783.db2.gz ICPYSPLWGZENCC-ROUUACIJSA-N 1 0 320.396 2.376 10 30 DEEERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3OCC#N)CC[C@H]21 ZINC000248062080 530058740 /nfs/dbraw/zinc/05/87/40/530058740.db2.gz LXJQPIZQRDMTBN-GDBMZVCRSA-N 1 0 313.401 2.145 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1cncc1C)C(C)C ZINC000625556825 365829538 /nfs/dbraw/zinc/82/95/38/365829538.db2.gz JWQYMHXMPWYDEI-INIZCTEOSA-N 1 0 304.438 2.006 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000625701924 365875155 /nfs/dbraw/zinc/87/51/55/365875155.db2.gz CNIMLBVOYVEQNT-CQSZACIVSA-N 1 0 315.417 2.225 10 30 DEEERO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000616267653 362812231 /nfs/dbraw/zinc/81/22/31/362812231.db2.gz QWPMFTUFGVOUHG-MRXNPFEDSA-N 1 0 321.396 2.297 10 30 DEEERO C=C(C)[C@@H](CO)[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625744394 365888457 /nfs/dbraw/zinc/88/84/57/365888457.db2.gz MRDGOEVNFBLCND-YRGRVCCFSA-N 1 0 301.308 2.448 10 30 DEEERO C=CCc1ccc(OCC(=O)N[C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000617411164 363124428 /nfs/dbraw/zinc/12/44/28/363124428.db2.gz CJHMRWDEDAGWDQ-HNNXBMFYSA-N 1 0 318.417 2.013 10 30 DEEERO C=CCOc1ccc(C(=O)N(CC)[C@H]2CC[N@H+](C)C2)cc1OC ZINC000617559158 363187286 /nfs/dbraw/zinc/18/72/86/363187286.db2.gz UTZXMNYHLAEMGU-HNNXBMFYSA-N 1 0 318.417 2.426 10 30 DEEERO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2OC)cc1C#N ZINC000174296936 198316520 /nfs/dbraw/zinc/31/65/20/198316520.db2.gz KXKBIKHOKLILQC-INIZCTEOSA-N 1 0 312.369 2.399 10 30 DEEERO N#Cc1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000047258561 354311329 /nfs/dbraw/zinc/31/13/29/354311329.db2.gz OPYSDPIYMYKVLK-UHFFFAOYSA-N 1 0 307.401 2.476 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000135050391 355863895 /nfs/dbraw/zinc/86/38/95/355863895.db2.gz MEADRBIWCLBQCL-HNNXBMFYSA-N 1 0 317.433 2.109 10 30 DEEERO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000626864009 366347984 /nfs/dbraw/zinc/34/79/84/366347984.db2.gz UBHKZVKSUIPTQY-GOEBONIOSA-N 1 0 315.417 2.000 10 30 DEEERO N#CC1(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000593067395 358000558 /nfs/dbraw/zinc/00/05/58/358000558.db2.gz KMMQDAZVBFGQRK-ZWKOTPCHSA-N 1 0 311.429 2.265 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000595877783 358569821 /nfs/dbraw/zinc/56/98/21/358569821.db2.gz KDLGGSQALGRFSP-HIFRSBDPSA-N 1 0 315.417 2.049 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000595951416 358585731 /nfs/dbraw/zinc/58/57/31/358585731.db2.gz KYKDDSSUDSQFCB-HNNXBMFYSA-N 1 0 305.334 2.240 10 30 DEEERO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2ccc(C#N)nc2)C1 ZINC000596551326 358711151 /nfs/dbraw/zinc/71/11/51/358711151.db2.gz HWEATRLUCAVWQH-LJQANCHMSA-N 1 0 321.428 2.181 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000627415571 366521728 /nfs/dbraw/zinc/52/17/28/366521728.db2.gz SYXOCCQMPKAVJM-ZDUSSCGKSA-N 1 0 317.433 2.041 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC000599627839 359547468 /nfs/dbraw/zinc/54/74/68/359547468.db2.gz OTIDRACNGQNITA-INIZCTEOSA-N 1 0 303.406 2.294 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000600153458 359667344 /nfs/dbraw/zinc/66/73/44/359667344.db2.gz MGMYAIFAZRWXRH-BBRMVZONSA-N 1 0 304.390 2.329 10 30 DEEERO C=C(C)C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)OC ZINC000601788723 360151261 /nfs/dbraw/zinc/15/12/61/360151261.db2.gz XLVNTYHNRLRKKO-HNNXBMFYSA-N 1 0 310.438 2.265 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1ccc(I)s1 ZINC000602613111 360457641 /nfs/dbraw/zinc/45/76/41/360457641.db2.gz OZIZWNQRMDXKMY-MRVPVSSYSA-N 1 0 323.199 2.379 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602694951 360503644 /nfs/dbraw/zinc/50/36/44/360503644.db2.gz QPRMPTJLNXBGMB-WFASDCNBSA-N 1 0 321.421 2.056 10 30 DEEERO C=CCN(CCC#N)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000603084924 360694083 /nfs/dbraw/zinc/69/40/83/360694083.db2.gz YHPLRAKJQKASIJ-UHFFFAOYSA-N 1 0 316.409 2.083 10 30 DEEERO CC(C)CN(C(=O)c1ccnc(C#N)c1)C1CC[NH+](C)CC1 ZINC000193252403 201013846 /nfs/dbraw/zinc/01/38/46/201013846.db2.gz ZBUGDDOHRBBRDE-UHFFFAOYSA-N 1 0 300.406 2.146 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610248026 361372652 /nfs/dbraw/zinc/37/26/52/361372652.db2.gz DLPZGIBWCCXFBN-CZUORRHYSA-N 1 0 323.400 2.277 10 30 DEEERO C[C@@H](NC(=O)c1ccnc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193786926 201123979 /nfs/dbraw/zinc/12/39/79/201123979.db2.gz UWGWOZKSCWLOIC-HIFRSBDPSA-N 1 0 312.417 2.336 10 30 DEEERO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)C1=O ZINC000619620819 363842515 /nfs/dbraw/zinc/84/25/15/363842515.db2.gz XODWWCQVPCWHAK-CABCVRRESA-N 1 0 322.449 2.217 10 30 DEEERO C=CCOc1c(Cl)cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1OC ZINC000623560167 365078985 /nfs/dbraw/zinc/07/89/85/365078985.db2.gz XBWYCEHUWDEYGI-TXEJJXNPSA-N 1 0 324.808 2.267 10 30 DEEERO N#Cc1c(NC(=O)C[C@H]2CSCC[NH2+]2)sc2c1CCC2 ZINC000091138314 193003141 /nfs/dbraw/zinc/00/31/41/193003141.db2.gz KSNKXJYYUBNZIB-VIFPVBQESA-N 1 0 307.444 2.142 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(C[C@H]2CC[N@@H+]2C2CCCCC2)C1=O ZINC000630986007 367951668 /nfs/dbraw/zinc/95/16/68/367951668.db2.gz MFLSEMRBSSPIRF-HUUCEWRRSA-N 1 0 305.422 2.280 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(C[C@H]2CC[N@@H+]2Cc2ccccc2)C1=O ZINC000630988870 367953185 /nfs/dbraw/zinc/95/31/85/367953185.db2.gz WISUECCVEYXKHL-HZPDHXFCSA-N 1 0 313.401 2.148 10 30 DEEERO C[C@H](CCc1ccco1)NC(=O)c1csc(C#CC[NH3+])c1 ZINC000093976115 193332707 /nfs/dbraw/zinc/33/27/07/193332707.db2.gz PXZQNRZTKYNOJM-GFCCVEGCSA-N 1 0 302.399 2.402 10 30 DEEERO C=C(Br)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000161447446 197495448 /nfs/dbraw/zinc/49/54/48/197495448.db2.gz XOFQOMLBMIJTNC-SRVKXCTJSA-N 1 0 301.228 2.322 10 30 DEEERO C#CC[C@H]([NH3+])C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000160192163 197392141 /nfs/dbraw/zinc/39/21/41/197392141.db2.gz QFYVIMHDZLQRME-DZGCQCFKSA-N 1 0 302.374 2.443 10 30 DEEERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(CC#N)CC#N ZINC000043020149 183328872 /nfs/dbraw/zinc/32/88/72/183328872.db2.gz DHQZRQAHXFHURG-ZWNOBZJWSA-N 1 0 307.195 2.187 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1ccnc(C#N)c1 ZINC000284800634 218184230 /nfs/dbraw/zinc/18/42/30/218184230.db2.gz IAJBIAGWHVNGRU-KBXCAEBGSA-N 1 0 324.432 2.206 10 30 DEEERO [NH3+]CC#Cc1ccc(F)c(CNC(=O)c2cc(Cl)c[nH]2)c1 ZINC000049586987 183744654 /nfs/dbraw/zinc/74/46/54/183744654.db2.gz KZTRSEZSPNEVHT-UHFFFAOYSA-N 1 0 305.740 2.047 10 30 DEEERO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000066125993 184391099 /nfs/dbraw/zinc/39/10/99/184391099.db2.gz SWUATDXBGXXYCO-UONOGXRCSA-N 1 0 303.406 2.172 10 30 DEEERO Cc1ccc(C(=O)N2CCSC(C)(C)C2)cc1C#CC[NH3+] ZINC000159028573 197319842 /nfs/dbraw/zinc/31/98/42/197319842.db2.gz HNONWRJMWAYACS-UHFFFAOYSA-N 1 0 302.443 2.273 10 30 DEEERO C[C@H]1C[N@@H+](C2CCN(CC#Cc3ccc(F)cc3)CC2)CCO1 ZINC000156294223 197101640 /nfs/dbraw/zinc/10/16/40/197101640.db2.gz WLJZEGOXNHDCKK-INIZCTEOSA-N 1 0 316.420 2.362 10 30 DEEERO [NH3+]CC#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCCS2)c1 ZINC000156280413 197101119 /nfs/dbraw/zinc/10/11/19/197101119.db2.gz WKQCDCXUVUERCQ-HNNXBMFYSA-N 1 0 306.406 2.038 10 30 DEEERO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)N(C)CCC#N ZINC000192362352 533523358 /nfs/dbraw/zinc/52/33/58/533523358.db2.gz HFEQDQFILKFLRJ-IUODEOHRSA-N 1 0 301.390 2.120 10 30 DEEERO CN(C)c1noc(C2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000189538769 145029520 /nfs/dbraw/zinc/02/95/20/145029520.db2.gz JSMUHWYBPMESML-UHFFFAOYSA-N 1 0 311.389 2.387 10 30 DEEERO CC[N@@H+]1CC[C@@H](Nc2cnn(-c3ncccc3C#N)c2)[C@@H](C)C1 ZINC000248404168 145153353 /nfs/dbraw/zinc/15/33/53/145153353.db2.gz ZYNFGLCFQZDDCX-XJKSGUPXSA-N 1 0 310.405 2.281 10 30 DEEERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(F)c2C#N)C1 ZINC000249292182 145182144 /nfs/dbraw/zinc/18/21/44/145182144.db2.gz WLGLRRDHXKJJGL-LRDDRELGSA-N 1 0 301.365 2.254 10 30 DEEERO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(C#N)cc1F ZINC000358573287 147158367 /nfs/dbraw/zinc/15/83/67/147158367.db2.gz RCWGXHJQMAXUJA-ZDUSSCGKSA-N 1 0 305.397 2.459 10 30 DEEERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1OC ZINC000112531105 401748314 /nfs/dbraw/zinc/74/83/14/401748314.db2.gz JWOLKXKBSRFVGB-QWHCGFSZSA-N 1 0 319.405 2.115 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000073882612 401724109 /nfs/dbraw/zinc/72/41/09/401724109.db2.gz LSORFAFVGRVHCF-WDEREUQCSA-N 1 0 309.797 2.391 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1ccc(C#N)cc1 ZINC000113225621 401770445 /nfs/dbraw/zinc/77/04/45/401770445.db2.gz WCTHQZGANHKPRU-DZGCQCFKSA-N 1 0 315.442 2.345 10 30 DEEERO C#CCCOc1ccc(C[NH2+][C@H]2CCc3nc(CC)nn3C2)cc1 ZINC000113338547 401776714 /nfs/dbraw/zinc/77/67/14/401776714.db2.gz OVNKUSOXCIUTBI-INIZCTEOSA-N 1 0 324.428 2.347 10 30 DEEERO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc(C#N)cn2C)C1 ZINC000081674952 401898513 /nfs/dbraw/zinc/89/85/13/401898513.db2.gz JIGMFTYOWSGEDH-AWEZNQCLSA-N 1 0 302.422 2.139 10 30 DEEERO N#Cc1ccc2ncc(CNCc3nccn3C(F)F)n2c1 ZINC000123481171 402130277 /nfs/dbraw/zinc/13/02/77/402130277.db2.gz RIYWQYCXRKALKZ-UHFFFAOYSA-N 1 0 302.288 2.087 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]CCC(=O)Nc3ccccc3)n2c1 ZINC000123751911 402144532 /nfs/dbraw/zinc/14/45/32/402144532.db2.gz OHKRQEIQDRLJCM-UHFFFAOYSA-N 1 0 319.368 2.324 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000124713657 402193674 /nfs/dbraw/zinc/19/36/74/402193674.db2.gz GAQDRLPAZOKGCL-VHSXEESVSA-N 1 0 311.332 2.016 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000184587388 402279584 /nfs/dbraw/zinc/27/95/84/402279584.db2.gz ZVUDAEJRCOEAGB-MAUKXSAKSA-N 1 0 316.445 2.124 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])N2CCC(C)CC2)C12CCOCC2 ZINC000184595380 402281912 /nfs/dbraw/zinc/28/19/12/402281912.db2.gz XNHSMMAFTVDTRE-HUUCEWRRSA-N 1 0 309.454 2.007 10 30 DEEERO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000156656808 402286349 /nfs/dbraw/zinc/28/63/49/402286349.db2.gz DRLOBHGOAISJDO-YJBOKZPZSA-N 1 0 318.848 2.344 10 30 DEEERO C=CC[N@H+](Cc1ccccc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176628941 402324882 /nfs/dbraw/zinc/32/48/82/402324882.db2.gz QHIHCENFTVLYTE-QGZVFWFLSA-N 1 0 322.474 2.346 10 30 DEEERO C[C@]1(C(N)=O)CCCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000185914041 402388910 /nfs/dbraw/zinc/38/89/10/402388910.db2.gz NEZFPUGRFYZGHD-QGZVFWFLSA-N 1 0 301.390 2.057 10 30 DEEERO C=CC[C@H](CO)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000185883777 402385617 /nfs/dbraw/zinc/38/56/17/402385617.db2.gz KPKSOUABYYHJIN-DOTOQJQBSA-N 1 0 320.408 2.091 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000185224263 402336822 /nfs/dbraw/zinc/33/68/22/402336822.db2.gz RFLUSTHWDURCNI-HUUCEWRRSA-N 1 0 321.421 2.043 10 30 DEEERO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186016042 402396347 /nfs/dbraw/zinc/39/63/47/402396347.db2.gz LERJNXYNEYGIJL-DVOMOZLQSA-N 1 0 310.405 2.280 10 30 DEEERO CCOCCN1CCN(C(=O)c2cc(C#N)cs2)C[C@@H]1CC ZINC000177485686 402407519 /nfs/dbraw/zinc/40/75/19/402407519.db2.gz FMAIYOWYLDGWJQ-AWEZNQCLSA-N 1 0 321.446 2.193 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246990941 402552050 /nfs/dbraw/zinc/55/20/50/402552050.db2.gz KEKXLSWBTOEVDF-LSDHHAIUSA-N 1 0 324.465 2.463 10 30 DEEERO C=CCOc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OC ZINC000170856223 402533392 /nfs/dbraw/zinc/53/33/92/402533392.db2.gz VAMRSXWLMXLYCD-CQSZACIVSA-N 1 0 304.390 2.036 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248075186 402582091 /nfs/dbraw/zinc/58/20/91/402582091.db2.gz MVPMGZWKHVEGEO-JZXOWHBKSA-N 1 0 308.466 2.427 10 30 DEEERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000248617709 402599384 /nfs/dbraw/zinc/59/93/84/402599384.db2.gz SAHFASKIYADLGT-XJADACSNSA-N 1 0 321.465 2.463 10 30 DEEERO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000181558135 402649668 /nfs/dbraw/zinc/64/96/68/402649668.db2.gz XDRKFZNAFRRJLG-NVXWUHKLSA-N 1 0 315.417 2.211 10 30 DEEERO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000181554968 402649804 /nfs/dbraw/zinc/64/98/04/402649804.db2.gz RPJUDSGQLPMSFA-ZDUSSCGKSA-N 1 0 306.435 2.432 10 30 DEEERO CO[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1C ZINC000251904375 402651114 /nfs/dbraw/zinc/65/11/14/402651114.db2.gz RFZGSPPQUPVDAM-CZUORRHYSA-N 1 0 301.390 2.244 10 30 DEEERO C[C@H](C(=O)NCCOc1ccc(C#N)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000253546373 402668604 /nfs/dbraw/zinc/66/86/04/402668604.db2.gz IPBSXETXULZADE-RBSFLKMASA-N 1 0 315.417 2.315 10 30 DEEERO Cn1cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1C#N ZINC000191620386 402682406 /nfs/dbraw/zinc/68/24/06/402682406.db2.gz MDXAFCBQRZZNES-TZMCWYRMSA-N 1 0 315.339 2.470 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000184236955 402829645 /nfs/dbraw/zinc/82/96/45/402829645.db2.gz HRIOZLOHXYGUMQ-SJORKVTESA-N 1 0 307.482 2.217 10 30 DEEERO C=C(C)CC[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000274856968 403094814 /nfs/dbraw/zinc/09/48/14/403094814.db2.gz SNTMGRVENVFGTH-UHFFFAOYSA-N 1 0 305.397 2.348 10 30 DEEERO N#Cc1ccnc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000283030690 403165327 /nfs/dbraw/zinc/16/53/27/403165327.db2.gz RCFYAYWTDOPWJI-UHFFFAOYSA-N 1 0 320.396 2.301 10 30 DEEERO C=CCCS(=O)(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282456864 403154991 /nfs/dbraw/zinc/15/49/91/403154991.db2.gz VXCABHBJWIKZPB-AWEZNQCLSA-N 1 0 323.462 2.305 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC000285071045 403277864 /nfs/dbraw/zinc/27/78/64/403277864.db2.gz KCCADKZLVYMPCO-OCCSQVGLSA-N 1 0 312.335 2.278 10 30 DEEERO C=CCC[N@@H+](C)CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000342729640 403325492 /nfs/dbraw/zinc/32/54/92/403325492.db2.gz XOAMCBCISWEKMJ-KRWDZBQOSA-N 1 0 315.461 2.400 10 30 DEEERO Cc1cc(C)c2ncc(C#N)c(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1 ZINC000301657482 403659329 /nfs/dbraw/zinc/65/93/29/403659329.db2.gz LKNJTLLFLLCBLW-IAGOWNOFSA-N 1 0 322.412 2.243 10 30 DEEERO N#Cc1cccnc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000301739584 403672331 /nfs/dbraw/zinc/67/23/31/403672331.db2.gz JTORNHWQTSDGHK-INIZCTEOSA-N 1 0 300.406 2.034 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000343869285 403768681 /nfs/dbraw/zinc/76/86/81/403768681.db2.gz TWQQUHYSQBSONA-QFBILLFUSA-N 1 0 316.445 2.342 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000288107070 403726063 /nfs/dbraw/zinc/72/60/63/403726063.db2.gz IZRNYORSNFBOAV-QGZVFWFLSA-N 1 0 313.445 2.357 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000288214910 403741592 /nfs/dbraw/zinc/74/15/92/403741592.db2.gz QNVSPNFXBQJTEY-ZWKOTPCHSA-N 1 0 313.445 2.214 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000288341422 403746894 /nfs/dbraw/zinc/74/68/94/403746894.db2.gz CXGGOLMBVPCRSU-RDJZCZTQSA-N 1 0 300.446 2.418 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1ccc(OC)cc1Br ZINC000321035971 404073456 /nfs/dbraw/zinc/07/34/56/404073456.db2.gz RMLZWFLZGRKPEA-LLVKDONJSA-N 1 0 300.196 2.484 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCn2cc(C)nc21 ZINC000328660351 404126011 /nfs/dbraw/zinc/12/60/11/404126011.db2.gz VGANPYIZRVCIIV-HUUCEWRRSA-N 1 0 319.453 2.057 10 30 DEEERO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CSCN1C(=O)CC ZINC000329220735 404268833 /nfs/dbraw/zinc/26/88/33/404268833.db2.gz UBISMSHRPYIQJC-QWHCGFSZSA-N 1 0 313.467 2.129 10 30 DEEERO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)NCC1CCC1 ZINC000329432287 404334613 /nfs/dbraw/zinc/33/46/13/404334613.db2.gz IRYCHZJZBYNXLM-HNNXBMFYSA-N 1 0 307.438 2.077 10 30 DEEERO C#Cc1ccc(CNC(=O)CSCC[NH+](CC)CC)cc1 ZINC000296559816 404305313 /nfs/dbraw/zinc/30/53/13/404305313.db2.gz ZZJAAGPPRMZIPU-UHFFFAOYSA-N 1 0 304.459 2.359 10 30 DEEERO CCC[C@]1(CO)CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329597994 404386704 /nfs/dbraw/zinc/38/67/04/404386704.db2.gz JEIJZPCNYSTQOB-MMNRESRNSA-N 1 0 323.481 2.400 10 30 DEEERO C[C@H](CCNC(=O)N[C@@H]1CCO[C@@H]1C1CC1)[NH+]1CCCCC1 ZINC000329719378 404432779 /nfs/dbraw/zinc/43/27/79/404432779.db2.gz BGTFYYUSJZHXKA-FVQBIDKESA-N 1 0 309.454 2.322 10 30 DEEERO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000352563155 404459190 /nfs/dbraw/zinc/45/91/90/404459190.db2.gz PAXXZGDHBWDPHD-GJZGRUSLSA-N 1 0 302.484 2.335 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC000297659841 404581599 /nfs/dbraw/zinc/58/15/99/404581599.db2.gz OIHNAPRRBWRPED-OAHLLOKOSA-N 1 0 311.429 2.294 10 30 DEEERO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)C[NH+]1CCCC1 ZINC000330218380 404589648 /nfs/dbraw/zinc/58/96/48/404589648.db2.gz OQUCXUASLDAFSR-SQWLQELKSA-N 1 0 320.437 2.186 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000297780387 404620614 /nfs/dbraw/zinc/62/06/14/404620614.db2.gz WVDZOJMUCCAVEI-QAPCUYQASA-N 1 0 311.429 2.436 10 30 DEEERO C=CCOc1ccccc1C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000435058055 404954758 /nfs/dbraw/zinc/95/47/58/404954758.db2.gz SDMSAIVGOKOXBC-INIZCTEOSA-N 1 0 304.434 2.404 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000451759879 405026909 /nfs/dbraw/zinc/02/69/09/405026909.db2.gz SKSIDHZQJOQDQA-OAHLLOKOSA-N 1 0 314.364 2.069 10 30 DEEERO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000408041527 405096858 /nfs/dbraw/zinc/09/68/58/405096858.db2.gz CVLGZLAUFOPZNE-BZSNNMDCSA-N 1 0 318.392 2.449 10 30 DEEERO CC1=CC[N@H+](CCNC(=O)NCCc2cccc(C#N)c2)CC1 ZINC000568448008 292340935 /nfs/dbraw/zinc/34/09/35/292340935.db2.gz QJGIGPVMFGQLLT-UHFFFAOYSA-N 1 0 312.417 2.052 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000425726089 405316146 /nfs/dbraw/zinc/31/61/46/405316146.db2.gz NLPASXDLAWCXFA-PMPSAXMXSA-N 1 0 309.454 2.141 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCN1CCCO ZINC000449385312 405535819 /nfs/dbraw/zinc/53/58/19/405535819.db2.gz FHNXLDMVPLIVDZ-QGZVFWFLSA-N 1 0 304.434 2.188 10 30 DEEERO C=CCOCCCC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634091325 406000302 /nfs/dbraw/zinc/00/03/02/406000302.db2.gz HHYNXYGUQCGCQB-UHFFFAOYSA-N 1 0 306.410 2.071 10 30 DEEERO C=CCn1c(COCC)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000634341381 406107510 /nfs/dbraw/zinc/10/75/10/406107510.db2.gz VVGVHHRXZWBXQK-UHFFFAOYSA-N 1 0 321.469 2.311 10 30 DEEERO C=C1CC(C)(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000632442104 406140133 /nfs/dbraw/zinc/14/01/33/406140133.db2.gz SWACUHMSGKLCGP-UHFFFAOYSA-N 1 0 319.493 2.219 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N(CCC)[C@H]1CC[N@H+](C)C1 ZINC000632651498 406215295 /nfs/dbraw/zinc/21/52/95/406215295.db2.gz SLGNFKHKUYUMQB-HNNXBMFYSA-N 1 0 323.481 2.038 10 30 DEEERO C=CCCCCCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000568245198 406217278 /nfs/dbraw/zinc/21/72/78/406217278.db2.gz FLVGTUHSVPTJJI-AWEZNQCLSA-N 1 0 317.433 2.185 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000568531719 406218992 /nfs/dbraw/zinc/21/89/92/406218992.db2.gz MATOYGDEEPXWMB-HNNXBMFYSA-N 1 0 323.481 2.038 10 30 DEEERO C=CCOc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1OC ZINC000540515814 406296522 /nfs/dbraw/zinc/29/65/22/406296522.db2.gz MQBXYPVGCKBMHY-UHFFFAOYSA-N 1 0 306.406 2.284 10 30 DEEERO C=CCCCCCNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000570824088 406444119 /nfs/dbraw/zinc/44/41/19/406444119.db2.gz LKHYEOAMBORTGN-UHFFFAOYSA-N 1 0 324.513 2.400 10 30 DEEERO C=C[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635676816 406672072 /nfs/dbraw/zinc/67/20/72/406672072.db2.gz YMIFFSMHTAGGRM-VDZJLULYSA-N 1 0 314.429 2.216 10 30 DEEERO C=CCCCCCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000574649608 406784847 /nfs/dbraw/zinc/78/48/47/406784847.db2.gz GRIJZWSQRXMNTD-KRWDZBQOSA-N 1 0 323.481 2.487 10 30 DEEERO C#CC[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccc1Br ZINC000129069289 196016576 /nfs/dbraw/zinc/01/65/76/196016576.db2.gz DRCNOBLQRIEWLN-SECBINFHSA-N 1 0 301.571 2.392 10 30 DEEERO CC[NH2+][C@@H](C)c1ccc(OCC(=O)NCCC#N)c(Cl)c1 ZINC000132478551 196258710 /nfs/dbraw/zinc/25/87/10/196258710.db2.gz CHROWRINCGMWAL-NSHDSACASA-N 1 0 309.797 2.419 10 30 DEEERO Cc1c2ccccc2n(C)c1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262491631 225275958 /nfs/dbraw/zinc/27/59/58/225275958.db2.gz VDUOQKLJKHLUGM-LBPRGKRZSA-N 1 0 300.406 2.022 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000333328378 226104781 /nfs/dbraw/zinc/10/47/81/226104781.db2.gz NWWJUVCTBOMZFU-UBHSHLNASA-N 1 0 313.405 2.101 10 30 DEEERO N#CC1CCC(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000374246604 227129853 /nfs/dbraw/zinc/12/98/53/227129853.db2.gz ZIXNOHHMUFOAML-GPANFISMSA-N 1 0 304.438 2.196 10 30 DEEERO C=C(C)COc1cc(C[NH2+]C[C@H](O)[C@H]2CCCO2)ccc1OC ZINC000527759291 424834956 /nfs/dbraw/zinc/83/49/56/424834956.db2.gz SHUXPKLBSBOLTJ-JKSUJKDBSA-N 1 0 321.417 2.280 10 30 DEEERO C=CCNc1ncc(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000567831291 424916596 /nfs/dbraw/zinc/91/65/96/424916596.db2.gz ZYILVEFAUGIPBE-LLVKDONJSA-N 1 0 316.430 2.691 10 30 DEEERO Cc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ncc1C#N ZINC000333793548 267319271 /nfs/dbraw/zinc/31/92/71/267319271.db2.gz YFIYFYQILIRUQU-MRXNPFEDSA-N 1 0 312.417 2.352 10 30 DEEERO C[NH+]=C(NCc1nc(C(C)C)c(C)s1)NC1CCOCC1 ZINC000262806241 275409003 /nfs/dbraw/zinc/40/90/03/275409003.db2.gz SIKCWIOWCPRAHR-UHFFFAOYSA-N 1 0 310.467 2.419 10 30 DEEERO CC[NH+]=C(NC[C@](C)(O)c1cc(C)oc1C)N[C@@H]1CC1(C)C ZINC000262336002 275803196 /nfs/dbraw/zinc/80/31/96/275803196.db2.gz FNSPQLDJQLUSTC-PBHICJAKSA-N 1 0 307.438 2.458 10 30 DEEERO C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)C1=CC[N@H+](C)CC1 ZINC000329286047 278132150 /nfs/dbraw/zinc/13/21/50/278132150.db2.gz GRHAZHDBKHMOIU-YXJHDRRASA-N 1 0 321.465 2.178 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=[NH2+])N2CCC[C@H](C)C2)C12CCOCC2 ZINC000184642634 279831591 /nfs/dbraw/zinc/83/15/91/279831591.db2.gz MIVYNGCAZRHZQL-SOUVJXGZSA-N 1 0 309.454 2.007 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000514671486 337155905 /nfs/dbraw/zinc/15/59/05/337155905.db2.gz PZPOVZKHRUQUSB-OLZOCXBDSA-N 1 0 320.393 2.418 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000567353063 341597940 /nfs/dbraw/zinc/59/79/40/341597940.db2.gz YRRJUMBLDLAFDX-DAXOMENPSA-N 1 0 313.825 2.305 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)C2(C(=O)OC(C)(C)C)CC2)CC1 ZINC000578017526 341971608 /nfs/dbraw/zinc/97/16/08/341971608.db2.gz CRXUMPLKJVQVBJ-UHFFFAOYSA-N 1 0 322.449 2.265 10 30 DEEERO Cc1ccc(-c2nc(CNC(=[NH2+])N3CCO[C@H](C)C3)co2)cc1 ZINC000262456328 534210510 /nfs/dbraw/zinc/21/05/10/534210510.db2.gz LGLPJUODSXRPJZ-CYBMUJFWSA-N 1 0 314.389 2.185 10 30 DEEERO C=CCN(CCc1ccccc1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418578946 526311032 /nfs/dbraw/zinc/31/10/32/526311032.db2.gz QQZRWUUCLHKLLQ-WBVHZDCISA-N 1 0 301.434 2.425 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418401913 526348816 /nfs/dbraw/zinc/34/88/16/526348816.db2.gz IDWKZNAXCKVYLG-HNNXBMFYSA-N 1 0 320.393 2.276 10 30 DEEERO C[NH+]=C(NCCc1c[nH]c2ccccc12)NC[C@@H]1CCC[C@@H]1O ZINC000262486528 526363684 /nfs/dbraw/zinc/36/36/84/526363684.db2.gz ZIBNUCAZWJMNAR-YOEHRIQHSA-N 1 0 314.433 2.036 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000295839894 526374612 /nfs/dbraw/zinc/37/46/12/526374612.db2.gz WTGXEIGZIVPFFB-IHRRRGAJSA-N 1 0 310.463 2.258 10 30 DEEERO C[NH+]=C(NCc1ccccn1)NC[C@@H](O)c1ccc(Cl)s1 ZINC000262505384 526414836 /nfs/dbraw/zinc/41/48/36/526414836.db2.gz ZSDSPYNWFHSVOR-LLVKDONJSA-N 1 0 324.837 2.195 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)C1=O ZINC000337216283 526514277 /nfs/dbraw/zinc/51/42/77/526514277.db2.gz ZEDGZKJAXFOZIC-YXPYIKCWSA-N 1 0 300.402 2.316 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246478285 526632746 /nfs/dbraw/zinc/63/27/46/526632746.db2.gz GKPBIOISGGXLEK-IAOVAPTHSA-N 1 0 320.408 2.404 10 30 DEEERO C=CCNc1ncc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)s1 ZINC000245907854 526680518 /nfs/dbraw/zinc/68/05/18/526680518.db2.gz BXGCWXKEPFPHOU-NEPJUHHUSA-N 1 0 306.435 2.050 10 30 DEEERO C=C(C)Cn1c(C(C)C)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000338810419 526721760 /nfs/dbraw/zinc/72/17/60/526721760.db2.gz ZDRJUJVABJLCLB-OAHLLOKOSA-N 1 0 321.469 2.135 10 30 DEEERO C=CCOCCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000374829637 526774115 /nfs/dbraw/zinc/77/41/15/526774115.db2.gz UVSHBHRSBIRMIU-UHFFFAOYSA-N 1 0 317.433 2.107 10 30 DEEERO C=CCOCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000378554849 526775481 /nfs/dbraw/zinc/77/54/81/526775481.db2.gz CDEBYKTXUJVHEZ-IRXDYDNUSA-N 1 0 323.481 2.485 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000125043918 526825159 /nfs/dbraw/zinc/82/51/59/526825159.db2.gz DIQZDJZNYFTWCY-UHFFFAOYSA-N 1 0 318.417 2.426 10 30 DEEERO C=CCOc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000195322157 526839621 /nfs/dbraw/zinc/83/96/21/526839621.db2.gz ODWOHWOXONKRLM-OAHLLOKOSA-N 1 0 316.401 2.180 10 30 DEEERO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC=C)C2=O)cc1 ZINC000337125232 526862325 /nfs/dbraw/zinc/86/23/25/526862325.db2.gz DULHCMDLVFEUHU-QGZVFWFLSA-N 1 0 300.402 2.470 10 30 DEEERO CC(=O)[C@@](C)(O)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000331294809 527137479 /nfs/dbraw/zinc/13/74/79/527137479.db2.gz CHLFAYITHBUSTD-KRWDZBQOSA-N 1 0 322.405 2.005 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000184263165 527209598 /nfs/dbraw/zinc/20/95/98/527209598.db2.gz CYSGNRAZFPNDOL-SNVBAGLBSA-N 1 0 316.195 2.190 10 30 DEEERO CC(=O)c1ccc(C#N)cc1NC1CCN(CC[NH+](C)C)CC1 ZINC000302127209 527231084 /nfs/dbraw/zinc/23/10/84/527231084.db2.gz WVZFPBYDOVTRFD-UHFFFAOYSA-N 1 0 314.433 2.199 10 30 DEEERO C=CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000293041215 527246242 /nfs/dbraw/zinc/24/62/42/527246242.db2.gz QBPFACCBDPSMKF-MRXNPFEDSA-N 1 0 310.463 2.045 10 30 DEEERO CCO[C@@H]1C[C@H](NC(NC[C@@H]2CCC[C@H]2O)=[NH+]C)C12CCCC2 ZINC000262820137 527906018 /nfs/dbraw/zinc/90/60/18/527906018.db2.gz XXSUFBRIBHIVFC-XUWVNRHRSA-N 1 0 323.481 2.050 10 30 DEEERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=[NH2+])N(C)C)O[C@H](C)C2 ZINC000262515220 528350520 /nfs/dbraw/zinc/35/05/20/528350520.db2.gz GBUPVDOQVNGPIS-OSMZGAPFSA-N 1 0 303.406 2.141 10 30 DEEERO CCC[C@]1(C)CCCN(C(NCC(=O)NC(C)(C)C)=[NH+]C)C1 ZINC000261770347 528495052 /nfs/dbraw/zinc/49/50/52/528495052.db2.gz DQBQQEYEMXWFBZ-QGZVFWFLSA-N 1 0 310.486 2.379 10 30 DEEERO CC[N@H+](CCO)CCNc1ccc(Br)cc1C#N ZINC000302216447 528551686 /nfs/dbraw/zinc/55/16/86/528551686.db2.gz INGXEIKUAIPAPG-UHFFFAOYSA-N 1 0 312.211 2.047 10 30 DEEERO CC[NH+]=C(NC1CCC1)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000261997339 528802391 /nfs/dbraw/zinc/80/23/91/528802391.db2.gz SRHVBQXHSWFAMO-HNNXBMFYSA-N 1 0 303.454 2.429 10 30 DEEERO CC[NH+]=C(NCC1(C)CC1)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000262413046 528802733 /nfs/dbraw/zinc/80/27/33/528802733.db2.gz PPKZYGPLVBEOHI-ZDUSSCGKSA-N 1 0 318.469 2.072 10 30 DEEERO CC[NH+]=C(NCc1cn2c(n1)CCCC2)NC[C@@H]1CCCS1 ZINC000261997705 528828616 /nfs/dbraw/zinc/82/86/16/528828616.db2.gz SWMCXIPJVGJWKT-AWEZNQCLSA-N 1 0 321.494 2.170 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000251997933 536884224 /nfs/dbraw/zinc/88/42/24/536884224.db2.gz WJFGXSVZLWTAJX-SUMWQHHRSA-N 1 0 304.390 2.302 10 30 DEEERO COC(=O)c1ccc(CNC(=[NH2+])NCCc2ccccc2)cc1 ZINC000170905092 625472284 /nfs/dbraw/zinc/47/22/84/625472284.db2.gz FRSCPODOFKHARS-UHFFFAOYSA-N 1 0 311.385 2.120 10 30 DEEERO C=CCOCC(=O)OC[C@H]1CC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000741120651 637940958 /nfs/dbraw/zinc/94/09/58/637940958.db2.gz JNRSIIIIYRLIEM-QAPCUYQASA-N 1 0 319.401 2.434 10 30 DEEERO C=CCOCC(=O)OC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000741120649 637941251 /nfs/dbraw/zinc/94/12/51/637941251.db2.gz JNRSIIIIYRLIEM-CRAIPNDOSA-N 1 0 319.401 2.434 10 30 DEEERO C#CCN1CCC[C@H]1C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000752511391 639191576 /nfs/dbraw/zinc/19/15/76/639191576.db2.gz KGSHRYLHZYRWBH-KPEUIFRASA-N 1 0 312.413 2.153 10 30 DEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCOc2ccccc21 ZINC000085789151 640054383 /nfs/dbraw/zinc/05/43/83/640054383.db2.gz CBYWCSDDSVPGFU-IMJJTQAJSA-N 1 0 317.433 2.226 10 30 DEEERO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCN(CC)C2=O)c(O)c1 ZINC000801646017 645426904 /nfs/dbraw/zinc/42/69/04/645426904.db2.gz KEJOPNQUBKWDMP-BRFSQIRFSA-N 1 0 303.406 2.278 10 30 DEEERO C#CCC[NH+]1CCC(NC(=O)Cc2ccc(C)nc2Cl)CC1 ZINC000806905425 645886138 /nfs/dbraw/zinc/88/61/38/645886138.db2.gz JOWFFKAVWXMYOZ-UHFFFAOYSA-N 1 0 319.836 2.190 10 30 DEEERO C#CCCCC[NH2+]Cc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000150737985 646084544 /nfs/dbraw/zinc/08/45/44/646084544.db2.gz XGXKYXSJXAVSBC-UHFFFAOYSA-N 1 0 318.465 2.273 10 30 DEEERO [NH2+]=C(NCc1ccccc1OC1CCC1)N1CCSCC1 ZINC000304764562 685260776 /nfs/dbraw/zinc/26/07/76/685260776.db2.gz YDNXHHBWYQVBAL-UHFFFAOYSA-N 1 0 305.447 2.481 10 30 DEEERO Cc1ccc(OC(F)F)c(CNC(=[NH2+])NC[C@@H]2CCCO2)c1 ZINC000304992473 685263917 /nfs/dbraw/zinc/26/39/17/685263917.db2.gz DMUPTCKZQBJZIB-LBPRGKRZSA-N 1 0 313.348 2.180 10 30 DEEERO C=CCC[C@H](O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119036496 684076341 /nfs/dbraw/zinc/07/63/41/684076341.db2.gz RVENQJDYFUWQBN-DOMZBBRYSA-N 1 0 312.435 2.036 10 30 DEEERO C#CCCOc1ccc(CN(C)CC(=O)NC(C)(C)C)cc1 ZINC000120681280 684099403 /nfs/dbraw/zinc/09/94/03/684099403.db2.gz VIGPBUVBZKTSNY-UHFFFAOYSA-N 1 0 302.418 2.435 10 30 DEEERO CN(CC(=O)NC(C)(C)C)Cc1ccc(N(C)CCC#N)cc1 ZINC000120686582 684099468 /nfs/dbraw/zinc/09/94/68/684099468.db2.gz AICXCFDLHLDQRV-UHFFFAOYSA-N 1 0 316.449 2.383 10 30 DEEERO C=C[C@@](C)(CCOC)C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000249179873 685176701 /nfs/dbraw/zinc/17/67/01/685176701.db2.gz HNHFQHGNIACIAB-RDJZCZTQSA-N 1 0 313.438 2.115 10 30 DEEERO CCc1cccc(NC(=[NH2+])NCCNC(=O)c2ccccc2)c1 ZINC000303783902 685234279 /nfs/dbraw/zinc/23/42/79/685234279.db2.gz OQTOMSIAROSWNW-UHFFFAOYSA-N 1 0 310.401 2.406 10 30 DEEERO Cc1cccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)n1 ZINC000303870127 685236360 /nfs/dbraw/zinc/23/63/60/685236360.db2.gz BEHAZJCWFDWQID-UHFFFAOYSA-N 1 0 312.373 2.478 10 30 DEEERO COc1ccc(CNC(=[NH2+])NCc2cccc(C)n2)cc1OC ZINC000303882740 685237740 /nfs/dbraw/zinc/23/77/40/685237740.db2.gz IJYQEMPWXDHJTC-UHFFFAOYSA-N 1 0 314.389 2.012 10 30 DEEERO Cc1cccc(NC(=[NH2+])NCC(=O)NCCc2ccccc2)c1 ZINC000303971420 685240992 /nfs/dbraw/zinc/24/09/92/685240992.db2.gz DRIQCZFLFYLRKO-UHFFFAOYSA-N 1 0 310.401 2.081 10 30 DEEERO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N+]12CCN(CC1)CC2 ZINC000015454173 717111878 /nfs/dbraw/zinc/11/18/78/717111878.db2.gz CZQFFHJZZDVNFA-ZDUSSCGKSA-O 1 0 308.833 2.121 10 30 DEEERO C=C(Br)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724026736 787347025 /nfs/dbraw/zinc/34/70/25/787347025.db2.gz ZCPUPJYBENRFQL-LURJTMIESA-N 1 0 312.076 2.433 10 30 DEEERO C=CCCC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717944654 1081843190 /nfs/dbraw/zinc/84/31/90/1081843190.db2.gz MFGCXNRYBGBVDD-UHFFFAOYSA-N 1 0 316.445 2.486 10 30 DEEERO C#CCC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1F ZINC000717847440 1091323962 /nfs/dbraw/zinc/32/39/62/1091323962.db2.gz GJFDVYPVYMAAHV-GFCCVEGCSA-N 1 0 300.171 2.452 10 30 DEEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCCS2)c1 ZINC000163110800 197612382 /nfs/dbraw/zinc/61/23/82/197612382.db2.gz WMLCFAHRHCPHQJ-CQSZACIVSA-N 1 0 324.471 2.207 10 30 DEEERO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000613040319 361988225 /nfs/dbraw/zinc/98/82/25/361988225.db2.gz VZTWXDVDJJXNED-KRWDZBQOSA-N 1 0 317.433 2.466 10 30 DEEERO COc1ccc(C[N@H+](C)CCC(F)(F)F)cc1C#CCO ZINC000088433529 185249842 /nfs/dbraw/zinc/24/98/42/185249842.db2.gz NHFXTOBOCFTTFA-UHFFFAOYSA-N 1 0 301.308 2.423 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)s1 ZINC000088436903 185250271 /nfs/dbraw/zinc/25/02/71/185250271.db2.gz KQZOKVCXJNAFQJ-UHFFFAOYSA-N 1 0 316.348 2.473 10 30 DEEERO CC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000090068820 185280544 /nfs/dbraw/zinc/28/05/44/185280544.db2.gz BSZZKCJPPVKWMH-DOMZBBRYSA-N 1 0 318.377 2.396 10 30 DEEERO C=CCN(C(C)C)S(=O)(=O)c1ccsc1C[NH2+]CC ZINC000166093286 197687393 /nfs/dbraw/zinc/68/73/93/197687393.db2.gz JLLXUDHABUZTOT-UHFFFAOYSA-N 1 0 302.465 2.443 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000092474184 185320734 /nfs/dbraw/zinc/32/07/34/185320734.db2.gz GZWHJUMERKUXGF-UHFFFAOYSA-N 1 0 314.139 2.071 10 30 DEEERO CN1CCO[C@@H](C[N@@H+](Cc2cc(C#N)cs2)CC2CC2)C1 ZINC000328639421 529782820 /nfs/dbraw/zinc/78/28/20/529782820.db2.gz PLVVPEOPYOKYQU-OAHLLOKOSA-N 1 0 305.447 2.162 10 30 DEEERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000334069553 529808893 /nfs/dbraw/zinc/80/88/93/529808893.db2.gz GFJPHJZAGGYKSB-FZKCQIBNSA-N 1 0 304.438 2.194 10 30 DEEERO CN(CCC#N)c1ccc(C[NH2+]CC2(C)OCCCO2)cc1 ZINC000192252997 529870322 /nfs/dbraw/zinc/87/03/22/529870322.db2.gz FGONMLXKMKVDHV-UHFFFAOYSA-N 1 0 303.406 2.279 10 30 DEEERO C=CC(C)(C)CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000625532475 365817202 /nfs/dbraw/zinc/81/72/02/365817202.db2.gz JJAWUTIAFNWHCS-OAHLLOKOSA-N 1 0 323.481 2.038 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000625699536 365874294 /nfs/dbraw/zinc/87/42/94/365874294.db2.gz AGHFEQHXQKAYMC-CQSZACIVSA-N 1 0 306.381 2.219 10 30 DEEERO [NH3+]CC#Cc1ccsc1CNC(=O)c1ccc(F)cc1F ZINC000148680840 186045818 /nfs/dbraw/zinc/04/58/18/186045818.db2.gz MFLQHAPYLBQYFD-UHFFFAOYSA-N 1 0 306.337 2.267 10 30 DEEERO N#Cc1ccc(OCCC[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC000172036559 198029173 /nfs/dbraw/zinc/02/91/73/198029173.db2.gz KCPFNXQXRRONOI-BYICEURKSA-N 1 0 300.402 2.420 10 30 DEEERO O=C(N[C@@H]1CCCC[C@@H]1O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000329220706 539915363 /nfs/dbraw/zinc/91/53/63/539915363.db2.gz UAQAYKDAUQRORG-ZNMIVQPWSA-N 1 0 312.479 2.464 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1ccccc1C#N ZINC000174534048 198349471 /nfs/dbraw/zinc/34/94/71/198349471.db2.gz ZLRPCWSXDNPZPY-MRXNPFEDSA-N 1 0 314.433 2.303 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)[C@H](C(=O)OCC)CC[C@@H]1C ZINC000595559790 358485511 /nfs/dbraw/zinc/48/55/11/358485511.db2.gz QPQLWZXDZCNXMZ-ARFHVFGLSA-N 1 0 322.449 2.239 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000050024956 354366205 /nfs/dbraw/zinc/36/62/05/354366205.db2.gz QCYNINYUZJEMTF-GFCCVEGCSA-N 1 0 306.356 2.487 10 30 DEEERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cc(C#N)ccc1F ZINC000073653237 191336580 /nfs/dbraw/zinc/33/65/80/191336580.db2.gz VNTIIMGTWAZQBC-LBPRGKRZSA-N 1 0 306.385 2.227 10 30 DEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@H](CC(C)C)C(=O)OC ZINC000595605076 358498748 /nfs/dbraw/zinc/49/87/48/358498748.db2.gz UYWGQFWOCJVGRE-BZUAXINKSA-N 1 0 324.465 2.415 10 30 DEEERO C[C@H](NS(=O)(=O)CC(C)(C)C)c1cccc(C#CC[NH3+])c1 ZINC000080192939 192010851 /nfs/dbraw/zinc/01/08/51/192010851.db2.gz ACYSXCDCQQAQQB-ZDUSSCGKSA-N 1 0 308.447 2.023 10 30 DEEERO N#Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c(Br)c1 ZINC000085363121 192495718 /nfs/dbraw/zinc/49/57/18/192495718.db2.gz PGOBATZRCLPVGB-KOLCDFICSA-N 1 0 308.179 2.387 10 30 DEEERO C[N@H+](CC1CC1)C[C@@H]1CN(c2cccc(F)c2C#N)CCO1 ZINC000328655609 356466970 /nfs/dbraw/zinc/46/69/70/356466970.db2.gz YNTZSXRQURLSPC-CQSZACIVSA-N 1 0 303.381 2.244 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)C1 ZINC000626844831 366344818 /nfs/dbraw/zinc/34/48/18/366344818.db2.gz UCOAANLQLGWQCV-CQSZACIVSA-N 1 0 315.417 2.159 10 30 DEEERO C=CCC(C)(C)C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000579583144 356997007 /nfs/dbraw/zinc/99/70/07/356997007.db2.gz FGEQSMLBEFYTIH-ZDUSSCGKSA-N 1 0 307.390 2.347 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000580952688 357107167 /nfs/dbraw/zinc/10/71/67/357107167.db2.gz PSVUQEFTZNPYAQ-JKSUJKDBSA-N 1 0 301.386 2.106 10 30 DEEERO C=CC[C@@]1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000595927567 358582743 /nfs/dbraw/zinc/58/27/43/358582743.db2.gz PDCFNQNQLUZMCQ-WBMJQRKESA-N 1 0 303.362 2.470 10 30 DEEERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602185756 360303781 /nfs/dbraw/zinc/30/37/81/360303781.db2.gz JXSVPGLJAYTBSW-QGZVFWFLSA-N 1 0 312.417 2.055 10 30 DEEERO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000602767798 360542276 /nfs/dbraw/zinc/54/22/76/360542276.db2.gz GLFREKJSUXDWJS-OALUTQOASA-N 1 0 314.429 2.458 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@H]2CCCC[C@@H]2CC)CC1 ZINC000628125486 366729682 /nfs/dbraw/zinc/72/96/82/366729682.db2.gz BOLBNTBKCZGFKU-DLBZAZTESA-N 1 0 307.482 2.123 10 30 DEEERO C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)C1CC[NH+](C)CC1 ZINC000610025409 361354400 /nfs/dbraw/zinc/35/44/00/361354400.db2.gz ORRIXELSMMDYAZ-GFCCVEGCSA-N 1 0 318.396 2.227 10 30 DEEERO C=CC(C)(C)CCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000623404239 365017385 /nfs/dbraw/zinc/01/73/85/365017385.db2.gz VKJTZZGAPABOLJ-GASCZTMLSA-N 1 0 311.470 2.387 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000623634207 365110211 /nfs/dbraw/zinc/11/02/11/365110211.db2.gz XHGZQXGNRAHDMJ-MRXNPFEDSA-N 1 0 321.465 2.239 10 30 DEEERO C=CCC[C@H](CCC)[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624115211 365294533 /nfs/dbraw/zinc/29/45/33/365294533.db2.gz QGRRYFOXWPBGAN-LSDHHAIUSA-N 1 0 314.437 2.428 10 30 DEEERO CC1CCN(C(=O)N(C)Cc2csc(C#CC[NH3+])c2)CC1 ZINC000091992513 193138890 /nfs/dbraw/zinc/13/88/90/193138890.db2.gz CPKMEZOGMXCUKE-UHFFFAOYSA-N 1 0 305.447 2.342 10 30 DEEERO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CCOCC1 ZINC000628966205 367030840 /nfs/dbraw/zinc/03/08/40/367030840.db2.gz KOTVROLFNJVCBJ-MRXNPFEDSA-N 1 0 306.450 2.492 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)c1cncnc1)C(C)C ZINC000629947942 367389852 /nfs/dbraw/zinc/38/98/52/367389852.db2.gz YXIHTCZOVPNZRI-NVXWUHKLSA-N 1 0 316.449 2.395 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(C[C@@H](c2ccccc2)[NH+](C)C)C1=O ZINC000630965038 367939241 /nfs/dbraw/zinc/93/92/41/367939241.db2.gz NHWFNJAVNRLECJ-GJZGRUSLSA-N 1 0 301.390 2.176 10 30 DEEERO [NH3+]CC#Cc1cnc(NC(=O)[C@H]2CSc3ccccc32)s1 ZINC000092239872 193179146 /nfs/dbraw/zinc/17/91/46/193179146.db2.gz CWPJWBHRWZHKNZ-LBPRGKRZSA-N 1 0 315.423 2.281 10 30 DEEERO C=CCN1C(=[NH2+])NC[C@@H]1c1cc2c(c(Br)c1)OCO2 ZINC000093375495 193241056 /nfs/dbraw/zinc/24/10/56/193241056.db2.gz QLUPMSXMIXKWTM-SNVBAGLBSA-N 1 0 324.178 2.035 10 30 DEEERO Cc1csc([C@@H](C)NC(=O)c2csc(C#CC[NH3+])c2)n1 ZINC000093976583 193332817 /nfs/dbraw/zinc/33/28/17/193332817.db2.gz IULOQLBDBZITGE-SNVBAGLBSA-N 1 0 305.428 2.314 10 30 DEEERO Cc1cc(C(=O)NCc2scnc2C)sc1C#CC[NH3+] ZINC000094536796 193378491 /nfs/dbraw/zinc/37/84/91/193378491.db2.gz QLDCGILMEUROAD-UHFFFAOYSA-N 1 0 305.428 2.062 10 30 DEEERO CC(C)C[C@H](C)N(C)S(=O)(=O)c1ccccc1C#CC[NH3+] ZINC000042598227 183289810 /nfs/dbraw/zinc/28/98/10/183289810.db2.gz IZDHCOMETZQJQE-AWEZNQCLSA-N 1 0 308.447 2.052 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1nncs1)C(C)C ZINC000043128395 183339729 /nfs/dbraw/zinc/33/97/29/183339729.db2.gz XJDBNYRYYAYSKW-LBPRGKRZSA-N 1 0 309.439 2.358 10 30 DEEERO COc1cc(Cl)ccc1C(=O)Nc1ncc(C#CC[NH3+])s1 ZINC000043565918 183371927 /nfs/dbraw/zinc/37/19/27/183371927.db2.gz JMVZMABQWNOVFF-UHFFFAOYSA-N 1 0 321.789 2.368 10 30 DEEERO C[C@@H](NC(=O)c1cc(C#N)ccn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000288581194 220258627 /nfs/dbraw/zinc/25/86/27/220258627.db2.gz NZWNPDUQTGTHBX-HIFRSBDPSA-N 1 0 312.417 2.336 10 30 DEEERO CN(c1cccnn1)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000105806280 194133157 /nfs/dbraw/zinc/13/31/57/194133157.db2.gz SDKOYYSPGJPJKT-UHFFFAOYSA-N 1 0 307.401 2.449 10 30 DEEERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1cccc(C#N)c1 ZINC000106457180 194216773 /nfs/dbraw/zinc/21/67/73/194216773.db2.gz CYZASRANFRTROV-SFHVURJKSA-N 1 0 307.397 2.347 10 30 DEEERO CC(C)(C)C1=C2OCC[NH2+]CCOC2=C(C(C)(C)C)C(=O)C1=O ZINC000058981400 184132758 /nfs/dbraw/zinc/13/27/58/184132758.db2.gz DZFLVPMVNLRTFK-UHFFFAOYSA-N 1 0 321.417 2.375 10 30 DEEERO CC(C)c1csc(NC(=O)c2ccc(C#CC[NH3+])cn2)n1 ZINC000061872406 184190590 /nfs/dbraw/zinc/19/05/90/184190590.db2.gz JFKPTNNRECIXML-UHFFFAOYSA-N 1 0 300.387 2.224 10 30 DEEERO C=C(Cl)COc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC ZINC000062732124 184251412 /nfs/dbraw/zinc/25/14/12/184251412.db2.gz RGJWINOILGBSNI-UHFFFAOYSA-N 1 0 300.742 2.462 10 30 DEEERO CC1(C)C[N@H+](CCOc2cccc(C#CCO)c2)CCS1 ZINC000159055790 197322911 /nfs/dbraw/zinc/32/29/11/197322911.db2.gz YBGFHTJNWCWZHY-UHFFFAOYSA-N 1 0 305.443 2.237 10 30 DEEERO [NH3+]CC#Cc1ccc(F)c(CNC(=O)[C@H]2CCCCS2)c1 ZINC000156280552 197101446 /nfs/dbraw/zinc/10/14/46/197101446.db2.gz WKQCDCXUVUERCQ-OAHLLOKOSA-N 1 0 306.406 2.038 10 30 DEEERO C[C@H](NC(=O)[C@@H]1CCCCS1)c1ccc(C#CC[NH3+])cc1 ZINC000156279395 197101460 /nfs/dbraw/zinc/10/14/60/197101460.db2.gz MOTVREKMYQCMNT-BBRMVZONSA-N 1 0 302.443 2.460 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000121130070 195297301 /nfs/dbraw/zinc/29/73/01/195297301.db2.gz QAZMOTBDTZNHOD-UHFFFAOYSA-N 1 0 321.333 2.160 10 30 DEEERO N#Cc1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)s1 ZINC000128206373 195945351 /nfs/dbraw/zinc/94/53/51/195945351.db2.gz GMXSQWKHWKBROO-UHFFFAOYSA-N 1 0 316.430 2.188 10 30 DEEERO COc1cccc(NC(=[NH2+])NCc2c3c(nn2C)CCCC3)c1 ZINC000262665936 533575351 /nfs/dbraw/zinc/57/53/51/533575351.db2.gz NKPYDUJZXLLUEF-UHFFFAOYSA-N 1 0 313.405 2.234 10 30 DEEERO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000187669072 145002343 /nfs/dbraw/zinc/00/23/43/145002343.db2.gz OVKMQDSKGWSXII-INIZCTEOSA-N 1 0 311.429 2.390 10 30 DEEERO Cn1nccc1C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000127360072 401731117 /nfs/dbraw/zinc/73/11/17/401731117.db2.gz BLMAQLHMPBDKRD-GOSISDBHSA-N 1 0 310.401 2.205 10 30 DEEERO CC[NH+](CC)CCCNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000075693368 401766925 /nfs/dbraw/zinc/76/69/25/401766925.db2.gz ZEWGCEHYUIMZJD-CQSZACIVSA-N 1 0 303.406 2.174 10 30 DEEERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000117767715 401883700 /nfs/dbraw/zinc/88/37/00/401883700.db2.gz RMKDAPAVXWILPM-PBHICJAKSA-N 1 0 315.417 2.245 10 30 DEEERO C[C@H]1CCCC[N@@H+]1CC#CCON1C(=O)c2ccccc2C1=O ZINC000033868584 401891868 /nfs/dbraw/zinc/89/18/68/401891868.db2.gz CJCZZSQPDRODAT-AWEZNQCLSA-N 1 0 312.369 2.092 10 30 DEEERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1cccc(C#N)c1 ZINC000046279496 401968374 /nfs/dbraw/zinc/96/83/74/401968374.db2.gz QTVDDRXALXZZEJ-CQSZACIVSA-N 1 0 302.422 2.430 10 30 DEEERO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000092795427 402009317 /nfs/dbraw/zinc/00/93/17/402009317.db2.gz DDJHLPLYWIWXCK-ZDUSSCGKSA-N 1 0 306.435 2.085 10 30 DEEERO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC000123444612 402128097 /nfs/dbraw/zinc/12/80/97/402128097.db2.gz ADFWTGSEFLOFFS-GDBMZVCRSA-N 1 0 315.417 2.073 10 30 DEEERO CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000153855326 402175567 /nfs/dbraw/zinc/17/55/67/402175567.db2.gz CKLHEXXIMXMFOJ-KRWDZBQOSA-N 1 0 315.417 2.470 10 30 DEEERO CCO[C@H]1C[C@@H](NC(=[NH2+])N2CCC(C)CC2)C12CCOCC2 ZINC000184595398 402281881 /nfs/dbraw/zinc/28/18/81/402281881.db2.gz XNHSMMAFTVDTRE-CABCVRRESA-N 1 0 309.454 2.007 10 30 DEEERO CC[C@@H]1CN(Cc2ccc(C#N)cc2C)CC[N@@H+]1CCOC ZINC000186207922 402410679 /nfs/dbraw/zinc/41/06/79/402410679.db2.gz DGMUWCKXRKPUGC-GOSISDBHSA-N 1 0 301.434 2.409 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000186365673 402425835 /nfs/dbraw/zinc/42/58/35/402425835.db2.gz SKRCROSHJGWCCB-OAHLLOKOSA-N 1 0 309.454 2.020 10 30 DEEERO N#Cc1ccc(-c2nnc(CN3CC[N@@H+]4CCCC[C@@H]4C3)o2)cc1 ZINC000177778602 402435510 /nfs/dbraw/zinc/43/55/10/402435510.db2.gz XLEXEFMOVPYHGY-MRXNPFEDSA-N 1 0 323.400 2.278 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000185963423 402393471 /nfs/dbraw/zinc/39/34/71/402393471.db2.gz WMNODJGNOOAECU-AWEZNQCLSA-N 1 0 305.422 2.241 10 30 DEEERO C#CCOc1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000172114253 402640950 /nfs/dbraw/zinc/64/09/50/402640950.db2.gz WTKKPDJEJPWPFA-KRWDZBQOSA-N 1 0 322.412 2.247 10 30 DEEERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCOc1cccc(C#N)c1 ZINC000191208597 402650904 /nfs/dbraw/zinc/65/09/04/402650904.db2.gz SSPZVIHMBDDBQI-PVAVHDDUSA-N 1 0 314.385 2.211 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000182832744 402720224 /nfs/dbraw/zinc/72/02/24/402720224.db2.gz QPEOYFAHFWDSHW-IRXDYDNUSA-N 1 0 319.449 2.306 10 30 DEEERO C[C@@H]1CCC[C@](CNC(=O)c2ccnc(C#N)c2)([NH+](C)C)C1 ZINC000192837041 402753144 /nfs/dbraw/zinc/75/31/44/402753144.db2.gz TXIRUAUDZPURJZ-DYVFJYSZSA-N 1 0 300.406 2.194 10 30 DEEERO CN1CC[NH+]([C@@H]2CCCCN(Cc3ccccc3C#N)C2)CC1 ZINC000174876682 402760755 /nfs/dbraw/zinc/76/07/55/402760755.db2.gz WMDBHYKAGHICHB-LJQANCHMSA-N 1 0 312.461 2.160 10 30 DEEERO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000278965811 402891601 /nfs/dbraw/zinc/89/16/01/402891601.db2.gz XATYIALFCQPLSK-HKUYNNGSSA-N 1 0 316.445 2.484 10 30 DEEERO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000283681837 403214534 /nfs/dbraw/zinc/21/45/34/403214534.db2.gz SDSNWHRRCFNVPH-UHFFFAOYSA-N 1 0 324.432 2.201 10 30 DEEERO C#CCNC(=O)CC[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000293811521 403569946 /nfs/dbraw/zinc/56/99/46/403569946.db2.gz OFDZTQLGBADJRZ-INIZCTEOSA-N 1 0 316.376 2.002 10 30 DEEERO C=CCOCCCC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000346926191 403607260 /nfs/dbraw/zinc/60/72/60/403607260.db2.gz YJLRVGLDVMLXOD-QGZVFWFLSA-N 1 0 324.465 2.073 10 30 DEEERO Cn1cc([C@@H](CNc2c(F)cc(C#N)cc2F)[NH+](C)C)cn1 ZINC000301298167 403612562 /nfs/dbraw/zinc/61/25/62/403612562.db2.gz STIBDRSURUFVLG-CQSZACIVSA-N 1 0 305.332 2.285 10 30 DEEERO CC(C)(C)OC(=O)CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000304764646 403801663 /nfs/dbraw/zinc/80/16/63/403801663.db2.gz YHVIXJITXNMAKD-CYBMUJFWSA-N 1 0 319.405 2.146 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@H]2CCOC[C@@H]2OCCOC)cc1 ZINC000362529825 403962537 /nfs/dbraw/zinc/96/25/37/403962537.db2.gz UEHTYOWRYNJXGC-ROUUACIJSA-N 1 0 321.417 2.162 10 30 DEEERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C(=O)NC)C12CCOCC2 ZINC000329944994 286398156 /nfs/dbraw/zinc/39/81/56/286398156.db2.gz ITQOHLBIQBSQSM-APIJFGDWSA-N 1 0 310.438 2.305 10 30 DEEERO C=CCOc1ccc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000347953006 403973946 /nfs/dbraw/zinc/97/39/46/403973946.db2.gz RDERSYNPJWWUCK-KRWDZBQOSA-N 1 0 300.402 2.418 10 30 DEEERO C[C@](C#N)(NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C1CC1 ZINC000328930339 404176105 /nfs/dbraw/zinc/17/61/05/404176105.db2.gz YZQNUNXHLLSPKA-UHOFOFEASA-N 1 0 304.394 2.122 10 30 DEEERO C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000290494130 404193790 /nfs/dbraw/zinc/19/37/90/404193790.db2.gz VHHWXRRZXKAQGQ-KGLIPLIRSA-N 1 0 312.421 2.132 10 30 DEEERO C=CCOc1cccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 ZINC000344514308 404195982 /nfs/dbraw/zinc/19/59/82/404195982.db2.gz MKLKGGHAFQMQER-FRFSOERESA-N 1 0 300.402 2.350 10 30 DEEERO C=CCC[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)C(=O)OCC ZINC000412401246 404284908 /nfs/dbraw/zinc/28/49/08/404284908.db2.gz XJJSDEFMIASBDL-GJZGRUSLSA-N 1 0 310.438 2.265 10 30 DEEERO C=CCNC(=O)C[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000364044505 404296306 /nfs/dbraw/zinc/29/63/06/404296306.db2.gz XMONIGFVHZUFGV-UHFFFAOYSA-N 1 0 302.418 2.252 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1COCCN1CC1CCC1 ZINC000329534007 404368667 /nfs/dbraw/zinc/36/86/67/404368667.db2.gz YKRMRNWKXJHHTH-ZACQAIPSSA-N 1 0 322.449 2.425 10 30 DEEERO Cn1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(C2CC2)n1 ZINC000329634758 404402720 /nfs/dbraw/zinc/40/27/20/404402720.db2.gz UALAELZLAGGUKM-CQSZACIVSA-N 1 0 317.437 2.403 10 30 DEEERO C=CCn1c(CC(C)C)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000350729208 404452616 /nfs/dbraw/zinc/45/26/16/404452616.db2.gz IWIDVNCDDCXILJ-HNNXBMFYSA-N 1 0 303.454 2.336 10 30 DEEERO C=CCOc1cccnc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000342446388 404582454 /nfs/dbraw/zinc/58/24/54/404582454.db2.gz RRSLVZWECRQZSS-AWEZNQCLSA-N 1 0 305.422 2.353 10 30 DEEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000374063521 404683430 /nfs/dbraw/zinc/68/34/30/404683430.db2.gz BVYKYGWMUKTIMB-BVPBIZIASA-N 1 0 300.402 2.481 10 30 DEEERO C=CCNC(=O)CN(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000360178236 404820531 /nfs/dbraw/zinc/82/05/31/404820531.db2.gz HFULQLYGCPDSKC-SJLPKXTDSA-N 1 0 315.461 2.446 10 30 DEEERO C=C(C)[C@H]([NH2+]CCCS(=O)(=O)NC)c1ccc(F)c(F)c1 ZINC000360622596 404832673 /nfs/dbraw/zinc/83/26/73/404832673.db2.gz XZZLSLGZUVEORH-AWEZNQCLSA-N 1 0 318.389 2.111 10 30 DEEERO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CC12COC2 ZINC000451145819 404878914 /nfs/dbraw/zinc/87/89/14/404878914.db2.gz ZIKIXZIWURCVKY-CZUORRHYSA-N 1 0 314.385 2.131 10 30 DEEERO C=CCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000378600000 405010974 /nfs/dbraw/zinc/01/09/74/405010974.db2.gz XXCRLPGHKGKDNO-CVEARBPZSA-N 1 0 321.396 2.073 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000424179102 405030718 /nfs/dbraw/zinc/03/07/18/405030718.db2.gz XQPBHNDSHUDGGW-KBPBESRZSA-N 1 0 305.374 2.147 10 30 DEEERO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000452126114 405185367 /nfs/dbraw/zinc/18/53/67/405185367.db2.gz QJYPQQYGDBRVGG-RHSMWYFYSA-N 1 0 322.412 2.290 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000425450515 405292611 /nfs/dbraw/zinc/29/26/11/405292611.db2.gz KRKABLPSBOXPLA-XHSDSOJGSA-N 1 0 309.454 2.141 10 30 DEEERO Cn1c(C#N)ccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000448604420 405426433 /nfs/dbraw/zinc/42/64/33/405426433.db2.gz HZAKBGGFAXRIIU-SFHVURJKSA-N 1 0 322.412 2.464 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000448809311 405450782 /nfs/dbraw/zinc/45/07/82/405450782.db2.gz ILAPDGXWXWVNCY-UHFFFAOYSA-N 1 0 314.433 2.235 10 30 DEEERO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000448976231 405481147 /nfs/dbraw/zinc/48/11/47/405481147.db2.gz SJQMJNVAUKNHQN-UHFFFAOYSA-N 1 0 316.449 2.481 10 30 DEEERO C=CC[C@@]1(C(=O)NCC(C)(C)c2ccc(C)cn2)CCC[NH2+]1 ZINC000638533076 405531379 /nfs/dbraw/zinc/53/13/79/405531379.db2.gz IHABIVLAMFESSJ-SFHVURJKSA-N 1 0 301.434 2.482 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](CO)c1sccc1C ZINC000494629450 405732156 /nfs/dbraw/zinc/73/21/56/405732156.db2.gz GYNASALJBOEFAH-ZIAGYGMSSA-N 1 0 310.463 2.493 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N([C@H](C)C[N@H+](C)Cc2ccccc2)C1=O ZINC000630979596 405950408 /nfs/dbraw/zinc/95/04/08/405950408.db2.gz RESYIZNZMDWHDF-ZBFHGGJFSA-N 1 0 315.417 2.394 10 30 DEEERO C=CCn1c(-c2cccnc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000562030133 405958464 /nfs/dbraw/zinc/95/84/64/405958464.db2.gz XBVVLCDRKDFUCI-INIZCTEOSA-N 1 0 324.432 2.199 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000637090727 406174322 /nfs/dbraw/zinc/17/43/22/406174322.db2.gz VRNMTSOWILCIRQ-JKSUJKDBSA-N 1 0 309.454 2.095 10 30 DEEERO C=CC(C)(C)CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000637322031 406257593 /nfs/dbraw/zinc/25/75/93/406257593.db2.gz OEGARDBBAAKBRI-OAHLLOKOSA-N 1 0 311.470 2.341 10 30 DEEERO C=CCC[C@@H](CO)NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000637367119 406279221 /nfs/dbraw/zinc/27/92/21/406279221.db2.gz IOJCDFUEVCFRKB-GOEBONIOSA-N 1 0 309.454 2.020 10 30 DEEERO C=CCOc1cccc(NC(=O)[C@@]2(COC)CCCC[NH2+]2)c1 ZINC000637948793 406490984 /nfs/dbraw/zinc/49/09/84/406490984.db2.gz RLFDPJNOPPTJBI-KRWDZBQOSA-N 1 0 304.390 2.349 10 30 DEEERO C=CCn1c(C)cc(C(=O)CN(CCOC)[C@@H]2CCOC2)c1C ZINC000490072327 406449724 /nfs/dbraw/zinc/44/97/24/406449724.db2.gz MMOUXJISMLUVJS-MRXNPFEDSA-N 1 0 320.433 2.211 10 30 DEEERO C=CCC(CC=C)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000131706718 196193070 /nfs/dbraw/zinc/19/30/70/196193070.db2.gz PEGYOSOAXXUKFJ-GOSISDBHSA-N 1 0 319.493 2.383 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000132448626 196257315 /nfs/dbraw/zinc/25/73/15/196257315.db2.gz VKMZYEPOJURDGE-QWRGUYRKSA-N 1 0 308.179 2.387 10 30 DEEERO N#Cc1cc(Br)ccc1N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000133028307 196305922 /nfs/dbraw/zinc/30/59/22/196305922.db2.gz BCTSXASZJULBOZ-GFCCVEGCSA-N 1 0 320.190 2.178 10 30 DEEERO [NH2+]=C(NCCc1c[nH]c2ccc(F)cc12)N1CCSCC1 ZINC000262305264 225267592 /nfs/dbraw/zinc/26/75/92/225267592.db2.gz AGKPSRNJSUOSMX-UHFFFAOYSA-N 1 0 306.410 2.213 10 30 DEEERO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248565586 225238972 /nfs/dbraw/zinc/23/89/72/225238972.db2.gz NGAZYMVKLDYXOR-KBPBESRZSA-N 1 0 314.389 2.289 10 30 DEEERO [NH2+]=C(NCc1csc(Br)c1)NC[C@@H]1CCCO1 ZINC000261778756 225255073 /nfs/dbraw/zinc/25/50/73/225255073.db2.gz NQFPPKXIHKTKJA-VIFPVBQESA-N 1 0 318.240 2.094 10 30 DEEERO COc1ccc2c(c1)CCC[C@H]2CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000164309844 277435147 /nfs/dbraw/zinc/43/51/47/277435147.db2.gz ZBWULGQPAUSHFC-GOEBONIOSA-N 1 0 317.433 2.198 10 30 DEEERO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000408203260 280102543 /nfs/dbraw/zinc/10/25/43/280102543.db2.gz KUTJMFGHDRNXAW-BFYDXBDKSA-N 1 0 321.465 2.320 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000584227245 331870469 /nfs/dbraw/zinc/87/04/69/331870469.db2.gz LDVDVUYUVSJYQA-BBWFWOEESA-N 1 0 305.418 2.224 10 30 DEEERO C=CCCCCCNC(=O)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000563415315 333602019 /nfs/dbraw/zinc/60/20/19/333602019.db2.gz BZMHZOVSNSZYOE-UHFFFAOYSA-N 1 0 323.481 2.182 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@H]2CCCC(C)(C)C2)CC1 ZINC000535782368 335768516 /nfs/dbraw/zinc/76/85/16/335768516.db2.gz XPYDPNDIRRRJBQ-INIZCTEOSA-N 1 0 307.482 2.123 10 30 DEEERO C=C(C)CC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000352097201 336194754 /nfs/dbraw/zinc/19/47/54/336194754.db2.gz OXHYWOWQAXBVAV-UHFFFAOYSA-N 1 0 314.476 2.457 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC[NH2+]C1CC1 ZINC000575329625 341793188 /nfs/dbraw/zinc/79/31/88/341793188.db2.gz MZAOYVFPAGZFGG-UHFFFAOYSA-N 1 0 303.362 2.252 10 30 DEEERO C#CCOC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)CC(C)C ZINC000036100117 518306255 /nfs/dbraw/zinc/30/62/55/518306255.db2.gz QIOBRPOADKMPNI-KRWDZBQOSA-N 1 0 305.418 2.164 10 30 DEEERO C=CCn1c(N2CC[NH+](CCC)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453437260 534443214 /nfs/dbraw/zinc/44/32/14/534443214.db2.gz JDNFROHSSYCASY-QGZVFWFLSA-N 1 0 319.453 2.022 10 30 DEEERO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418590713 526338541 /nfs/dbraw/zinc/33/85/41/526338541.db2.gz JSYNZCZLYFWESL-PBHICJAKSA-N 1 0 317.433 2.391 10 30 DEEERO C[NH+]=C(NCC(=O)OC(C)(C)C)N[C@@H]1CCc2ccccc2C1 ZINC000262420389 526348882 /nfs/dbraw/zinc/34/88/82/526348882.db2.gz FHQARDFNKOSNBX-OAHLLOKOSA-N 1 0 317.433 2.051 10 30 DEEERO C[NH+]=C(NCC1CCCC1)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000261724123 526351854 /nfs/dbraw/zinc/35/18/54/526351854.db2.gz LASXWGCIEMNWOF-CQSZACIVSA-N 1 0 309.454 2.416 10 30 DEEERO C[NH+]=C(NCCC1CC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261782634 526355185 /nfs/dbraw/zinc/35/51/85/526355185.db2.gz PMDRXKKEVRUWJU-CYBMUJFWSA-N 1 0 321.856 2.279 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246710207 526537894 /nfs/dbraw/zinc/53/78/94/526537894.db2.gz NSLOGSLONDZAIC-NVXWUHKLSA-N 1 0 317.433 2.348 10 30 DEEERO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000342033883 526708568 /nfs/dbraw/zinc/70/85/68/526708568.db2.gz BUHSRAMXSSSAJM-BBWFWOEESA-N 1 0 307.482 2.073 10 30 DEEERO C=CCOCC[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000339137182 526769472 /nfs/dbraw/zinc/76/94/72/526769472.db2.gz AABAMQBECLKROC-WMZOPIPTSA-N 1 0 305.418 2.231 10 30 DEEERO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1CC[NH+](CCC)CC1 ZINC000438076812 526831438 /nfs/dbraw/zinc/83/14/38/526831438.db2.gz UQYZRCRGZKPIDQ-IAGOWNOFSA-N 1 0 323.481 2.389 10 30 DEEERO C=CCOc1cccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c1 ZINC000364168635 526911078 /nfs/dbraw/zinc/91/10/78/526911078.db2.gz NLGJUXUWBZMUNZ-AGUYFDCRSA-N 1 0 314.385 2.005 10 30 DEEERO C=CCn1c(C)cc(C(=O)CN2CCC3(CC[NH2+]3)CC2)c1C ZINC000422631442 527293861 /nfs/dbraw/zinc/29/38/61/527293861.db2.gz FNJFVDPGNGGITD-UHFFFAOYSA-N 1 0 301.434 2.302 10 30 DEEERO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1CCCCO1 ZINC000246318800 527893789 /nfs/dbraw/zinc/89/37/89/527893789.db2.gz HRDYITHFKUSUSL-DOTOQJQBSA-N 1 0 309.454 2.322 10 30 DEEERO CC[NH+]=C(NCC1CC1)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261955239 528803451 /nfs/dbraw/zinc/80/34/51/528803451.db2.gz IOKJCFBUXDLBHG-OAHLLOKOSA-N 1 0 303.454 2.286 10 30 DEEERO CC[NH+]=C(NCCc1noc(CC)n1)N1C[C@H](C)C[C@H](C)C1 ZINC000262790548 528808398 /nfs/dbraw/zinc/80/83/98/528808398.db2.gz RQLRXBZGRSNJPM-BETUJISGSA-N 1 0 307.442 2.118 10 30 DEEERO CC(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000261817747 528842527 /nfs/dbraw/zinc/84/25/27/528842527.db2.gz KAQIFFZOHDRDBG-QRTARXTBSA-N 1 0 317.433 2.476 10 30 DEEERO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192355193 528850087 /nfs/dbraw/zinc/85/00/87/528850087.db2.gz CHZKAECEJFOYSB-CRAIPNDOSA-N 1 0 315.417 2.414 10 30 DEEERO C[N@H+](CCCCNC(=O)NCC1CCC(C#N)CC1)C1CC1 ZINC000454922044 536336918 /nfs/dbraw/zinc/33/69/18/536336918.db2.gz VJXKERUKZSEDBL-UHFFFAOYSA-N 1 0 306.454 2.490 10 30 DEEERO CSc1nnc(CCCNC(=[NH2+])NC2CC2)n1C1CCCC1 ZINC000103338556 624774170 /nfs/dbraw/zinc/77/41/70/624774170.db2.gz DWZYSRPIJMXPQI-UHFFFAOYSA-N 1 0 322.482 2.114 10 30 DEEERO CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)Oc1ccccc1C ZINC000178562147 625130581 /nfs/dbraw/zinc/13/05/81/625130581.db2.gz RFMNAMZHOFDOPS-GJZGRUSLSA-N 1 0 305.422 2.236 10 30 DEEERO C#CC[N@@H+](CC(=O)NC(=O)NC1CCCCC1)C1CCCC1 ZINC000155782163 625142326 /nfs/dbraw/zinc/14/23/26/625142326.db2.gz GTJFPACHIFZHQJ-UHFFFAOYSA-N 1 0 305.422 2.023 10 30 DEEERO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735310886 633501182 /nfs/dbraw/zinc/50/11/82/633501182.db2.gz FQUPNCVNBSMWPD-LLVKDONJSA-N 1 0 310.781 2.483 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)Cc1ccc2c(c1)OCO2 ZINC000121476329 650146755 /nfs/dbraw/zinc/14/67/55/650146755.db2.gz VGYBCFXKKGMRDQ-AWEZNQCLSA-N 1 0 317.385 2.235 10 30 DEEERO Cc1ccc2c(CCNC(=[NH2+])NC[C@@H]3CCCO3)cn(C)c2c1 ZINC000187121032 637040557 /nfs/dbraw/zinc/04/05/57/637040557.db2.gz MJFPAPKFMJAUGA-HNNXBMFYSA-N 1 0 314.433 2.113 10 30 DEEERO C=CC[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccncc1 ZINC000745828832 638293144 /nfs/dbraw/zinc/29/31/44/638293144.db2.gz WEIBVYQTFZQRTL-IRXDYDNUSA-N 1 0 312.417 2.355 10 30 DEEERO COc1ccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)cc1C#N ZINC000746743471 638374398 /nfs/dbraw/zinc/37/43/98/638374398.db2.gz YNIXGWMVMBPPBC-UHFFFAOYSA-N 1 0 323.400 2.247 10 30 DEEERO COc1ccc(C[NH2+]Cc2ccccc2-n2cncn2)cc1C#N ZINC000746740920 638374484 /nfs/dbraw/zinc/37/44/84/638374484.db2.gz JDTXSUDWJASVJL-UHFFFAOYSA-N 1 0 319.368 2.437 10 30 DEEERO CC(C)CCN(CCC#N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000750604338 639006707 /nfs/dbraw/zinc/00/67/07/639006707.db2.gz OGLZLIHCPFFNMF-UHFFFAOYSA-N 1 0 320.441 2.238 10 30 DEEERO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccc(N2CCCC2=O)cc1 ZINC000801937157 645464911 /nfs/dbraw/zinc/46/49/11/645464911.db2.gz FQLJVGJWFSHOGB-UONOGXRCSA-N 1 0 301.390 2.393 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000803857423 645706740 /nfs/dbraw/zinc/70/67/40/645706740.db2.gz FNCKSLKRVORORW-HZPDHXFCSA-N 1 0 322.449 2.383 10 30 DEEERO Cc1cc([C@](C)(O)C[NH2+]Cc2cnc3ccc(C#N)cn23)c(C)o1 ZINC000174440330 646811131 /nfs/dbraw/zinc/81/11/31/646811131.db2.gz NWWHYRYAFJXPLA-GOSISDBHSA-N 1 0 324.384 2.413 10 30 DEEERO C=CCn1c(C)nn(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1=S ZINC000732189222 647548564 /nfs/dbraw/zinc/54/85/64/647548564.db2.gz QEANXANCQJLPDS-CQSZACIVSA-N 1 0 307.467 2.035 10 30 DEEERO CC[C@@H](C#N)OC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000180078646 648454861 /nfs/dbraw/zinc/45/48/61/648454861.db2.gz XPJIRVUUWFSOMN-INIZCTEOSA-N 1 0 301.390 2.287 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NCC1CCC(C(F)(F)F)CC1 ZINC000072914345 649542872 /nfs/dbraw/zinc/54/28/72/649542872.db2.gz GKKZFGAFRXYJKW-MCIGGMRASA-N 1 0 307.360 2.438 10 30 DEEERO C#CCOc1ccc(C[NH2+]CCNC(=O)c2ccccc2)cc1 ZINC000113329620 651699547 /nfs/dbraw/zinc/69/95/47/651699547.db2.gz DVAGEAMYGWEHPY-UHFFFAOYSA-N 1 0 308.381 2.218 10 30 DEEERO CCc1cccc(CC)c1NC(=[NH2+])NC[C@]1(CCO)CCOC1 ZINC000126135763 684151582 /nfs/dbraw/zinc/15/15/82/684151582.db2.gz VXBGURLWRNQDIT-SFHVURJKSA-N 1 0 319.449 2.327 10 30 DEEERO N#Cc1ccc(CCC(=O)OCCN2CCSCC2)cc1 ZINC000127932905 684167678 /nfs/dbraw/zinc/16/76/78/684167678.db2.gz SKZBLIHDYQBGIL-UHFFFAOYSA-N 1 0 304.415 2.083 10 30 DEEERO Cc1cccc(NC(=[NH2+])NCCN2C(=O)c3ccccc3C2=O)c1 ZINC000303889611 685237590 /nfs/dbraw/zinc/23/75/90/685237590.db2.gz POKDQWGQUYJPSN-UHFFFAOYSA-N 1 0 322.368 2.018 10 30 DEEERO O=C(C[N+]12CCN(CC1)CC2)Nc1ccccc1-c1ccccc1 ZINC000007612928 717105364 /nfs/dbraw/zinc/10/53/64/717105364.db2.gz YQVAAFASQQGZRU-UHFFFAOYSA-O 1 0 322.432 2.438 10 30 DEEERO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N+](C)(C)C1CCCC1 ZINC000015457972 717112447 /nfs/dbraw/zinc/11/24/47/717112447.db2.gz YTFJYLPYMXKTFD-CQSZACIVSA-O 1 0 318.441 2.420 10 30 DEEERO C[C@H](NC(=O)C[N+]12CCN(CC1)CC2)c1cccc2ccccc21 ZINC000029224779 717117556 /nfs/dbraw/zinc/11/75/56/717117556.db2.gz JDZLMBJHVNUDPF-INIZCTEOSA-O 1 0 324.448 2.163 10 30 DEEERO CCNC(=O)C[N@+]1(CC)c2ccc(C(=O)OCC)cc2N=C1C ZINC000249701454 717164748 /nfs/dbraw/zinc/16/47/48/717164748.db2.gz IFCMXHFMZAEFNR-FQEVSTJZSA-O 1 0 318.397 2.390 10 30 DEEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713843008 792261183 /nfs/dbraw/zinc/26/11/83/792261183.db2.gz ANXLDTCPHXEUFD-QWRGUYRKSA-N 1 0 314.838 2.280 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000716826998 793008168 /nfs/dbraw/zinc/00/81/68/793008168.db2.gz CIHVXMSVFDXOAT-RBSFLKMASA-N 1 0 310.438 2.402 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000709290842 1086681976 /nfs/dbraw/zinc/68/19/76/1086681976.db2.gz YJCUVFQBVWHMIQ-XGUBFFRZSA-N 1 0 310.438 2.301 10 30 DEEERO C=CC[C@@H]([NH3+])C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000162193904 197551364 /nfs/dbraw/zinc/55/13/64/197551364.db2.gz RGBWROJAVLVGBA-ZWNOBZJWSA-N 1 0 311.223 2.400 10 30 DEEERO C=CCN(C)S(=O)(=O)c1ccc(CCC[NH2+]C(C)C)cc1 ZINC000162568548 197574800 /nfs/dbraw/zinc/57/48/00/197574800.db2.gz XCOOCCMVTIAEOT-UHFFFAOYSA-N 1 0 310.463 2.424 10 30 DEEERO C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C ZINC000163099830 197611232 /nfs/dbraw/zinc/61/12/32/197611232.db2.gz NJJUWNZVAWZMIA-IOASZLSFSA-N 1 0 306.431 2.356 10 30 DEEERO CCCc1nnsc1C(=O)Nc1ccc(C#CC[NH3+])cc1 ZINC000087456365 185225630 /nfs/dbraw/zinc/22/56/30/185225630.db2.gz MDTRSQDMYDAJBA-UHFFFAOYSA-N 1 0 300.387 2.053 10 30 DEEERO Cc1c(C#CC[NH3+])cccc1C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000088444060 185250953 /nfs/dbraw/zinc/25/09/53/185250953.db2.gz LYEQNZODNLFGRF-CHWSQXEVSA-N 1 0 302.443 2.271 10 30 DEEERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000090539744 185301712 /nfs/dbraw/zinc/30/17/12/185301712.db2.gz VYYNAJHEWJAGJO-OCCSQVGLSA-N 1 0 307.781 2.165 10 30 DEEERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cccc(C#N)c1F ZINC000615634060 362665115 /nfs/dbraw/zinc/66/51/15/362665115.db2.gz VAFLUBUNODIUFX-XPKDYRNWSA-N 1 0 302.349 2.471 10 30 DEEERO C=C(C)CCN1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000625662052 365863702 /nfs/dbraw/zinc/86/37/02/365863702.db2.gz DOZRYPHNMBPXKX-MRXNPFEDSA-N 1 0 309.431 2.430 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000625705628 365876759 /nfs/dbraw/zinc/87/67/59/365876759.db2.gz WIODBIKBVIQYNM-CYBMUJFWSA-N 1 0 301.390 2.012 10 30 DEEERO C=CC[C@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000625702895 365877515 /nfs/dbraw/zinc/87/75/15/365877515.db2.gz JQQPDQUHMVSQEI-AWEZNQCLSA-N 1 0 324.446 2.462 10 30 DEEERO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800516 365908222 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C=CC[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000320987914 356447986 /nfs/dbraw/zinc/44/79/86/356447986.db2.gz IRJURJVHIIFXMN-RYUDHWBXSA-N 1 0 320.216 2.260 10 30 DEEERO C=C[C@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000379617801 356668431 /nfs/dbraw/zinc/66/84/31/356668431.db2.gz NOYFYMWMESRLOL-IRXDYDNUSA-N 1 0 302.418 2.358 10 30 DEEERO N#Cc1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)ccn1 ZINC000588003207 357387280 /nfs/dbraw/zinc/38/72/80/357387280.db2.gz YURQYWFMLDJZFW-QGZVFWFLSA-N 1 0 300.406 2.034 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000591671317 357749511 /nfs/dbraw/zinc/74/95/11/357749511.db2.gz JLTGDIISILWJQX-INIZCTEOSA-N 1 0 303.362 2.109 10 30 DEEERO C=CCCn1cc(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)OC)nn1 ZINC000593968832 358180542 /nfs/dbraw/zinc/18/05/42/358180542.db2.gz RNDGHHORQDNJAO-ZBFHGGJFSA-N 1 0 306.410 2.066 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000627072322 366429970 /nfs/dbraw/zinc/42/99/70/366429970.db2.gz UXDUZFPISKOWOG-OAHLLOKOSA-N 1 0 302.422 2.169 10 30 DEEERO C=CC[C@H]1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000627072321 366429465 /nfs/dbraw/zinc/42/94/65/366429465.db2.gz UXDUZFPISKOWOG-HNNXBMFYSA-N 1 0 302.422 2.169 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000599526711 359516536 /nfs/dbraw/zinc/51/65/36/359516536.db2.gz PWJRVTXOTFXHSA-GOEBONIOSA-N 1 0 319.401 2.111 10 30 DEEERO C=CC[C@@H]1CC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000599526682 359516544 /nfs/dbraw/zinc/51/65/44/359516544.db2.gz PIQWCZQBNJBVTO-MRXNPFEDSA-N 1 0 315.417 2.301 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000599526882 359517206 /nfs/dbraw/zinc/51/72/06/359517206.db2.gz VVZKBKWRKJJISF-DLBZAZTESA-N 1 0 300.402 2.390 10 30 DEEERO C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@@H]1C[NH3+] ZINC000600884846 359850880 /nfs/dbraw/zinc/85/08/80/359850880.db2.gz GBMPBUONMFDNME-SCZZXKLOSA-N 1 0 312.186 2.491 10 30 DEEERO C=C(C)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)OC ZINC000601781936 360145698 /nfs/dbraw/zinc/14/56/98/360145698.db2.gz MNXJTYZIGZNMIS-GDBMZVCRSA-N 1 0 322.449 2.265 10 30 DEEERO C=C(C)C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000602735362 360527124 /nfs/dbraw/zinc/52/71/24/360527124.db2.gz VWUNJSNGUCBHNY-INIZCTEOSA-N 1 0 303.406 2.148 10 30 DEEERO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCc2ncnn21 ZINC000602770094 360543082 /nfs/dbraw/zinc/54/30/82/360543082.db2.gz VOJNUAHMUIKTAY-HNNXBMFYSA-N 1 0 313.361 2.362 10 30 DEEERO C=CCN1CC[C@@H]([NH+]2CCC(Nc3ccccc3C#N)CC2)C1=O ZINC000602894239 360613781 /nfs/dbraw/zinc/61/37/81/360613781.db2.gz JAMMAXOCFQYBLZ-GOSISDBHSA-N 1 0 324.428 2.221 10 30 DEEERO N#Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000609240612 361291923 /nfs/dbraw/zinc/29/19/23/361291923.db2.gz WQRLPQQNVCDVFW-CVEARBPZSA-N 1 0 316.380 2.123 10 30 DEEERO C[NH+](C)CCn1cc(Nc2c(C#N)nnc3ccccc32)cn1 ZINC000610130733 361362189 /nfs/dbraw/zinc/36/21/89/361362189.db2.gz BHYXQVAZYSEHOK-UHFFFAOYSA-N 1 0 307.361 2.003 10 30 DEEERO C=CC(C)(C)CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000628316275 366807992 /nfs/dbraw/zinc/80/79/92/366807992.db2.gz PLAIPIACQGJGNN-IBGZPJMESA-N 1 0 316.445 2.342 10 30 DEEERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611394738 361591221 /nfs/dbraw/zinc/59/12/21/361591221.db2.gz ZGHKAUXQIQJCGK-NVXWUHKLSA-N 1 0 312.417 2.329 10 30 DEEERO C=CC[C@@H]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000628488165 366865131 /nfs/dbraw/zinc/86/51/31/366865131.db2.gz SWSPEUYWCFFRKM-MRXNPFEDSA-N 1 0 306.450 2.446 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000449392887 240455163 /nfs/dbraw/zinc/45/51/63/240455163.db2.gz AACRPLFGAWUQQI-QGZVFWFLSA-N 1 0 304.434 2.188 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000624464405 365429656 /nfs/dbraw/zinc/42/96/56/365429656.db2.gz YKFMTKDPEHGBSA-OAHLLOKOSA-N 1 0 323.481 2.483 10 30 DEEERO C=C[C@H](O)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968689 367030302 /nfs/dbraw/zinc/03/03/02/367030302.db2.gz JBWSWKSAYNXKEL-OLZOCXBDSA-N 1 0 317.216 2.259 10 30 DEEERO C=C1CC(C)(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000630871809 367890499 /nfs/dbraw/zinc/89/04/99/367890499.db2.gz RJRMJCQFTUZTEC-CALCHBBNSA-N 1 0 319.493 2.360 10 30 DEEERO C=CCCC(C)(C)C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000631219998 368085640 /nfs/dbraw/zinc/08/56/40/368085640.db2.gz OEHOZBONTFOHIU-UHFFFAOYSA-N 1 0 317.481 2.310 10 30 DEEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(C#CCO)cs1 ZINC000094441013 193369362 /nfs/dbraw/zinc/36/93/62/193369362.db2.gz PVYFUMJLNADQHP-GOEBONIOSA-N 1 0 304.459 2.151 10 30 DEEERO C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(C#N)cc1F ZINC000453265752 245026773 /nfs/dbraw/zinc/02/67/73/245026773.db2.gz NVZIZZPSKTZRDP-ZFWWWQNUSA-N 1 0 305.397 2.195 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCCCC2CCOCC2)CC1 ZINC000454539111 245904007 /nfs/dbraw/zinc/90/40/07/245904007.db2.gz IYQRUDAKHIEECB-UHFFFAOYSA-N 1 0 309.454 2.143 10 30 DEEERO C#CC[C@@H]([NH3+])C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000160192294 197391938 /nfs/dbraw/zinc/39/19/38/197391938.db2.gz QFYVIMHDZLQRME-UKRRQHHQSA-N 1 0 302.374 2.443 10 30 DEEERO C=CCNC(=O)C[NH+]1CCC(Cn2cnc3ccccc32)CC1 ZINC000038535540 183001602 /nfs/dbraw/zinc/00/16/02/183001602.db2.gz YVGGVEVSHOJYCC-UHFFFAOYSA-N 1 0 312.417 2.051 10 30 DEEERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(CC)CCC#N)c1 ZINC000042451310 183272003 /nfs/dbraw/zinc/27/20/03/183272003.db2.gz RSSODTGDCKHYDL-CYBMUJFWSA-N 1 0 309.435 2.281 10 30 DEEERO CC(C)CN(CCC#N)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000043419878 183361124 /nfs/dbraw/zinc/36/11/24/183361124.db2.gz VYOQQVRADOVPMJ-CYBMUJFWSA-N 1 0 309.435 2.267 10 30 DEEERO C[C@H](NS(=O)(=O)c1cccs1)c1cccc(C#CC[NH3+])c1 ZINC000049587592 183744756 /nfs/dbraw/zinc/74/47/56/183744756.db2.gz GPUUZKZANFEMOK-LBPRGKRZSA-N 1 0 320.439 2.098 10 30 DEEERO CCC[NH2+]Cc1ccc(Br)cc1-n1cnc(C#N)n1 ZINC000061842383 184189592 /nfs/dbraw/zinc/18/95/92/184189592.db2.gz FSCYXXCNEPLMKQ-UHFFFAOYSA-N 1 0 320.194 2.401 10 30 DEEERO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000156742171 197137792 /nfs/dbraw/zinc/13/77/92/197137792.db2.gz UZXHTMKGDWRGGS-HNNXBMFYSA-N 1 0 311.389 2.071 10 30 DEEERO COC(=O)C(C)(C)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444676546 533154753 /nfs/dbraw/zinc/15/47/53/533154753.db2.gz QWKLUMKECWBCMI-UHFFFAOYSA-N 1 0 309.454 2.276 10 30 DEEERO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000120350512 195149632 /nfs/dbraw/zinc/14/96/32/195149632.db2.gz LQQUFRAYUSTHDD-GFCCVEGCSA-N 1 0 315.398 2.056 10 30 DEEERO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000120976874 195275190 /nfs/dbraw/zinc/27/51/90/195275190.db2.gz FKCOQQPFHYCCCQ-HNNXBMFYSA-N 1 0 311.389 2.071 10 30 DEEERO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc(C#N)s3)CC2)CCO1 ZINC000121775949 195345214 /nfs/dbraw/zinc/34/52/14/195345214.db2.gz RMYIURULGAUFGO-CYBMUJFWSA-N 1 0 305.447 2.305 10 30 DEEERO N#Cc1ccc(OC2CCC([NH2+]Cc3cncnc3)CC2)nc1 ZINC000125404269 195745465 /nfs/dbraw/zinc/74/54/65/195745465.db2.gz QAPPYYGAVNQSEZ-UHFFFAOYSA-N 1 0 309.373 2.223 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(C#N)cc2)C1 ZINC000252663424 145200138 /nfs/dbraw/zinc/20/01/38/145200138.db2.gz FTITXTWMLREQPB-CZUORRHYSA-N 1 0 300.406 2.086 10 30 DEEERO Cc1ccc(S(=O)(=O)OC2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1 ZINC000004321934 401726293 /nfs/dbraw/zinc/72/62/93/401726293.db2.gz KZGWPLYZDLVJOJ-MZBDJJRSSA-N 1 0 309.431 2.431 10 30 DEEERO N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000127363868 401731177 /nfs/dbraw/zinc/73/11/77/401731177.db2.gz QXOADBLEAQMWOT-WMZOPIPTSA-N 1 0 322.412 2.421 10 30 DEEERO Cn1ccnc1CC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000127468042 401736504 /nfs/dbraw/zinc/73/65/04/401736504.db2.gz OXOOPDQAEDXYCH-GOSISDBHSA-N 1 0 324.428 2.280 10 30 DEEERO C=CCC[C@H](C[NH+](C)C)Oc1ccc(C(=O)N2CCOCC2)o1 ZINC000072475974 401710053 /nfs/dbraw/zinc/71/00/53/401710053.db2.gz QSBFRTMWMSKHKR-CQSZACIVSA-N 1 0 322.405 2.027 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000113267778 401773629 /nfs/dbraw/zinc/77/36/29/401773629.db2.gz HJULUWFPVMEMQM-WMLDXEAASA-N 1 0 312.417 2.055 10 30 DEEERO Cn1cc([C@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)cn1 ZINC000116311374 401849616 /nfs/dbraw/zinc/84/96/16/401849616.db2.gz MNAJUHUGHDLGMV-HNNXBMFYSA-N 1 0 323.400 2.110 10 30 DEEERO C=C[C@@](C)(CC)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000135029766 401924406 /nfs/dbraw/zinc/92/44/06/401924406.db2.gz AVBNCVUSJVUJSI-AEFFLSMTSA-N 1 0 307.482 2.217 10 30 DEEERO C[C@H]1C[C@H](N(C)C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1C ZINC000089815120 401965990 /nfs/dbraw/zinc/96/59/90/401965990.db2.gz BKYIVCJIKQWSKE-GOEBONIOSA-N 1 0 315.417 2.073 10 30 DEEERO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000152940155 402118130 /nfs/dbraw/zinc/11/81/30/402118130.db2.gz HNEJQLJCLLMSKL-FUHWJXTLSA-N 1 0 321.465 2.464 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(F)cc(C#N)cc1F ZINC000154787736 402231656 /nfs/dbraw/zinc/23/16/56/402231656.db2.gz BKIRVYGJOKKXNX-CMPLNLGQSA-N 1 0 305.328 2.145 10 30 DEEERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1F ZINC000070787902 402264802 /nfs/dbraw/zinc/26/48/02/402264802.db2.gz UCTAHEWFCDQNCH-NEPJUHHUSA-N 1 0 307.369 2.245 10 30 DEEERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000160708382 402357739 /nfs/dbraw/zinc/35/77/39/402357739.db2.gz UBLAGVBSSQUNHE-HOTGVXAUSA-N 1 0 300.406 2.377 10 30 DEEERO CCc1cccc(CC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000161324587 402382604 /nfs/dbraw/zinc/38/26/04/402382604.db2.gz LKXCHVKIYVFTLG-UHFFFAOYSA-N 1 0 301.434 2.485 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000186365653 402425837 /nfs/dbraw/zinc/42/58/37/402425837.db2.gz SKRCROSHJGWCCB-HNNXBMFYSA-N 1 0 309.454 2.020 10 30 DEEERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000178334041 402486509 /nfs/dbraw/zinc/48/65/09/402486509.db2.gz LTEMJTMTCHJHFN-HOTGVXAUSA-N 1 0 316.401 2.255 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C#N)cc1 ZINC000179064205 402569258 /nfs/dbraw/zinc/56/92/58/402569258.db2.gz OCPWPIMNMUVMIN-QGZVFWFLSA-N 1 0 314.433 2.478 10 30 DEEERO C[N@H+](Cc1cccc(C#N)c1)C1CCN(CCn2cccn2)CC1 ZINC000171589770 402598351 /nfs/dbraw/zinc/59/83/51/402598351.db2.gz UEAFECLGAOGMOX-UHFFFAOYSA-N 1 0 323.444 2.351 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCCOC1)C(C)C ZINC000171597204 402599584 /nfs/dbraw/zinc/59/95/84/402599584.db2.gz FEGQWPSUCQXTTM-HZPDHXFCSA-N 1 0 309.454 2.163 10 30 DEEERO Cn1cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1C#N ZINC000191620355 402682597 /nfs/dbraw/zinc/68/25/97/402682597.db2.gz MDXAFCBQRZZNES-GXTWGEPZSA-N 1 0 315.339 2.470 10 30 DEEERO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccnc(C#N)c2)o1 ZINC000192972159 402759048 /nfs/dbraw/zinc/75/90/48/402759048.db2.gz CIRIKVBHUYMNQL-UHFFFAOYSA-N 1 0 312.373 2.059 10 30 DEEERO N#Cc1c[nH]c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000175132789 402781937 /nfs/dbraw/zinc/78/19/37/402781937.db2.gz QPHBIUZZWBBSNP-UHFFFAOYSA-N 1 0 308.385 2.412 10 30 DEEERO C=C(C)CS(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000280590370 403016318 /nfs/dbraw/zinc/01/63/18/403016318.db2.gz NUIYBPYGKHTRPD-UHFFFAOYSA-N 1 0 308.447 2.278 10 30 DEEERO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000282234820 403135170 /nfs/dbraw/zinc/13/51/70/403135170.db2.gz JOVVCDCQOUCBCX-CQSZACIVSA-N 1 0 312.421 2.134 10 30 DEEERO C=CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000292572421 403369950 /nfs/dbraw/zinc/36/99/50/403369950.db2.gz LHAAVAJBKWWDQP-HOTGVXAUSA-N 1 0 308.447 2.317 10 30 DEEERO C=CCOCC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000294031586 403629972 /nfs/dbraw/zinc/62/99/72/403629972.db2.gz ICFJKQDUFKKPPX-HOCLYGCPSA-N 1 0 308.809 2.404 10 30 DEEERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC3CCC(C#N)CC3)CC[C@@H]21 ZINC000369116040 403972242 /nfs/dbraw/zinc/97/22/42/403972242.db2.gz KTCCJVTZWAAFJV-BACDZXNISA-N 1 0 318.465 2.442 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(OC)cc1Br ZINC000321035973 404073536 /nfs/dbraw/zinc/07/35/36/404073536.db2.gz RMLZWFLZGRKPEA-NSHDSACASA-N 1 0 300.196 2.484 10 30 DEEERO CCn1nccc1CN1CC[C@@H](n2ccc(NC(C)=O)n2)C1 ZINC000328618343 404115074 /nfs/dbraw/zinc/11/50/74/404115074.db2.gz DQLXXFHPJFDEOR-CQSZACIVSA-N 1 0 302.382 2.154 10 30 DEEERO CN(C[C@@H](C#N)CCC#N)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328622012 404117339 /nfs/dbraw/zinc/11/73/39/404117339.db2.gz AWMZIMKMWJBGNN-NJAFHUGGSA-N 1 0 311.433 2.450 10 30 DEEERO C=CCN(Cc1cccs1)S(=O)(=O)CC[NH+](CC)CC ZINC000352332408 404295162 /nfs/dbraw/zinc/29/51/62/404295162.db2.gz CCWUBEBPZHMZEL-UHFFFAOYSA-N 1 0 316.492 2.408 10 30 DEEERO C=CCCS(=O)(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000344806777 404380804 /nfs/dbraw/zinc/38/08/04/404380804.db2.gz IKNMIUZAPPWXET-UHFFFAOYSA-N 1 0 302.484 2.479 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cn(C)nc1C1CC1 ZINC000329616636 404394535 /nfs/dbraw/zinc/39/45/35/404394535.db2.gz LMBICGPWAHSWBD-ZIAGYGMSSA-N 1 0 317.437 2.402 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cn(C)nc1C1CC1 ZINC000329616621 404394614 /nfs/dbraw/zinc/39/46/14/404394614.db2.gz LMBICGPWAHSWBD-KBPBESRZSA-N 1 0 317.437 2.402 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000342192653 404433142 /nfs/dbraw/zinc/43/31/42/404433142.db2.gz BFDFRYCQWHUSKA-HNNXBMFYSA-N 1 0 309.431 2.166 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnnc(C)c1)C(C)C ZINC000342344755 404523390 /nfs/dbraw/zinc/52/33/90/404523390.db2.gz JBRZYFGZKYWTKF-MRXNPFEDSA-N 1 0 302.422 2.213 10 30 DEEERO C#Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000297780392 404621050 /nfs/dbraw/zinc/62/10/50/404621050.db2.gz WVDZOJMUCCAVEI-YJBOKZPZSA-N 1 0 311.429 2.436 10 30 DEEERO C=CCOc1cccc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1 ZINC000353048002 404731545 /nfs/dbraw/zinc/73/15/45/404731545.db2.gz OPJCGVLMOVHVOE-CYBMUJFWSA-N 1 0 309.431 2.307 10 30 DEEERO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CC12COC2 ZINC000451145820 404879763 /nfs/dbraw/zinc/87/97/63/404879763.db2.gz ZIKIXZIWURCVKY-XJKSGUPXSA-N 1 0 314.385 2.131 10 30 DEEERO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000434739130 404931696 /nfs/dbraw/zinc/93/16/96/404931696.db2.gz TXNOLRVZBAFMNG-GJZGRUSLSA-N 1 0 300.468 2.231 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000425354135 405278672 /nfs/dbraw/zinc/27/86/72/405278672.db2.gz MLEUOMBLHLHDCW-KMFMINBZSA-N 1 0 319.401 2.308 10 30 DEEERO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419156940 405225335 /nfs/dbraw/zinc/22/53/35/405225335.db2.gz UFUKKRVQMIEWQZ-KGLIPLIRSA-N 1 0 317.433 2.184 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@H](CC)C2)CC1 ZINC000420781284 405382849 /nfs/dbraw/zinc/38/28/49/405382849.db2.gz AWZQFLYQLMEFGD-JKSUJKDBSA-N 1 0 309.454 2.284 10 30 DEEERO C=CCc1cc(C[N@@H+](CCOC)[C@H]2CCOC2)cc(OC)c1O ZINC000426527577 405366857 /nfs/dbraw/zinc/36/68/57/405366857.db2.gz YEEQYTJEBIBWDH-INIZCTEOSA-N 1 0 321.417 2.367 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000446138719 405374305 /nfs/dbraw/zinc/37/43/05/405374305.db2.gz PEGZBUAYOGROGN-RRFJBIMHSA-N 1 0 309.454 2.234 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638512794 405519666 /nfs/dbraw/zinc/51/96/66/405519666.db2.gz WZMWXCUTTYBLJW-MRXNPFEDSA-N 1 0 316.401 2.274 10 30 DEEERO C=CC[C@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633606044 405741424 /nfs/dbraw/zinc/74/14/24/405741424.db2.gz YXMIZBLIUCMXQJ-GOEBONIOSA-N 1 0 304.438 2.309 10 30 DEEERO CN1C(=O)C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1c1cccnc1 ZINC000583620145 405775745 /nfs/dbraw/zinc/77/57/45/405775745.db2.gz HBHYHXPOWJZZHQ-AEFFLSMTSA-N 1 0 324.359 2.154 10 30 DEEERO C=CCC(CC=C)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529913349 405770078 /nfs/dbraw/zinc/77/00/78/405770078.db2.gz GNOXTGWIUBCNJN-UHFFFAOYSA-N 1 0 306.450 2.468 10 30 DEEERO C=C(C)C[C@H]1NC(=O)N(CC[N@@H+](CC)CCC(F)(F)F)C1=O ZINC000630980316 405950294 /nfs/dbraw/zinc/95/02/94/405950294.db2.gz YKWKHBSOBGBSEA-LLVKDONJSA-N 1 0 321.343 2.147 10 30 DEEERO N#Cc1ccc(CN2CCNC(=O)C[C@H]2c2ccccc2)nc1 ZINC000562371946 405995832 /nfs/dbraw/zinc/99/58/32/405995832.db2.gz JUZGRPITNBMBBY-KRWDZBQOSA-N 1 0 306.369 2.016 10 30 DEEERO C=CCN1CC[C@@H]([N@@H+](C)CC/C=C/c2cncc(OC)c2)C1=O ZINC000565477898 406072280 /nfs/dbraw/zinc/07/22/80/406072280.db2.gz UVBIAJVTFXQKLN-QQOXCAACSA-N 1 0 315.417 2.212 10 30 DEEERO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634718009 406243822 /nfs/dbraw/zinc/24/38/22/406243822.db2.gz VCOOMIBZFCYJOL-MSOLQXFVSA-N 1 0 319.445 2.056 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000633017949 406354319 /nfs/dbraw/zinc/35/43/19/406354319.db2.gz ZRNACUADUODLNB-UHFFFAOYSA-N 1 0 317.433 2.453 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000571076906 406475788 /nfs/dbraw/zinc/47/57/88/406475788.db2.gz SSRJZJPRDWXBFD-ALYAQQCSSA-N 1 0 323.481 2.243 10 30 DEEERO C[NH2+][C@@H](C)c1ccc(Br)cc1-n1cnc(C#N)n1 ZINC000129209069 196029917 /nfs/dbraw/zinc/02/99/17/196029917.db2.gz QFEWMXOXIAOVOZ-QMMMGPOBSA-N 1 0 306.167 2.182 10 30 DEEERO C=CCNc1ncc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000129214038 196029944 /nfs/dbraw/zinc/02/99/44/196029944.db2.gz VMGKYCHMFHUQAG-VXGBXAGGSA-N 1 0 308.451 2.296 10 30 DEEERO C=CCN(Cc1ccc(Cl)s1)C(=O)C1([NH3+])CCOCC1 ZINC000132158779 196231480 /nfs/dbraw/zinc/23/14/80/196231480.db2.gz KIZZJCQLGPLIDR-UHFFFAOYSA-N 1 0 314.838 2.424 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000132461872 196257798 /nfs/dbraw/zinc/25/77/98/196257798.db2.gz LSTZETHJDYWSQH-NSHDSACASA-N 1 0 308.179 2.401 10 30 DEEERO [NH2+]=C(NCC[C@H]1CCOC1)Nc1ccc2c(c1)OCCCO2 ZINC000262268154 225267279 /nfs/dbraw/zinc/26/72/79/225267279.db2.gz SJUKWVTZOUAHDA-LBPRGKRZSA-N 1 0 305.378 2.001 10 30 DEEERO [NH2+]=C(NC[C@H]1CCC[C@@H](CO)C1)N[C@@H]1CCOc2ccccc21 ZINC000262292496 225267476 /nfs/dbraw/zinc/26/74/76/225267476.db2.gz HTKDOMHSRYBJNS-SQWLQELKSA-N 1 0 317.433 2.213 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NCc1noc2c1CCCC2 ZINC000262309468 225267954 /nfs/dbraw/zinc/26/79/54/225267954.db2.gz NIGPWYPYNCAZPN-UHFFFAOYSA-N 1 0 304.419 2.262 10 30 DEEERO C[C@H]1CN(C(C)(C)CNC(=[NH2+])NC2CCCCC2)C[C@H](C)O1 ZINC000263107216 225290580 /nfs/dbraw/zinc/29/05/80/225290580.db2.gz DBOYFUDGFZJXDA-KBPBESRZSA-N 1 0 310.486 2.111 10 30 DEEERO C[C@@H]1C[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC[NH2+]1 ZINC000333811904 226110839 /nfs/dbraw/zinc/11/08/39/226110839.db2.gz JMGCJFTVLHEYAR-DZUCGIPZSA-N 1 0 312.417 2.076 10 30 DEEERO C=CCOc1ccccc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000048284377 424831884 /nfs/dbraw/zinc/83/18/84/424831884.db2.gz FQZWLSTXTXUWIA-UHFFFAOYSA-N 1 0 318.417 2.094 10 30 DEEERO C=C(C)COc1cc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)ccc1OC ZINC000527759290 424834981 /nfs/dbraw/zinc/83/49/81/424834981.db2.gz SHUXPKLBSBOLTJ-HZPDHXFCSA-N 1 0 321.417 2.280 10 30 DEEERO N#Cc1cc2c(nc1NC[C@H](O)C[NH+]1CCCCC1)CCCC2 ZINC000160585713 274921544 /nfs/dbraw/zinc/92/15/44/274921544.db2.gz CZSJZMIZTOYRNF-INIZCTEOSA-N 1 0 314.433 2.091 10 30 DEEERO C[NH+]=C(N[C@H]1CC1(C)C)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000261963589 275409360 /nfs/dbraw/zinc/40/93/60/275409360.db2.gz KXDHREHXKGSAPD-CABCVRRESA-N 1 0 320.481 2.131 10 30 DEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000261650028 276096253 /nfs/dbraw/zinc/09/62/53/276096253.db2.gz FALFHLKEOFKVMY-USXIJHARSA-N 1 0 323.481 2.410 10 30 DEEERO CC1(C)C[N@H+](CCCC2(C#N)CCOCC2)C[C@@]2(CCOC2)O1 ZINC000374068059 278331111 /nfs/dbraw/zinc/33/11/11/278331111.db2.gz LEVPPOXKFXUPGD-GOSISDBHSA-N 1 0 322.449 2.357 10 30 DEEERO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[NH+]1CCC(C)CC1 ZINC000329545623 289395063 /nfs/dbraw/zinc/39/50/63/289395063.db2.gz ZOOCJVGRQXWOAH-FXUDXRNXSA-N 1 0 310.438 2.115 10 30 DEEERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC2CCC(C#N)CC2)C1 ZINC000367017159 290178339 /nfs/dbraw/zinc/17/83/39/290178339.db2.gz ODPHFAJFAZIOIW-BHUNQDJPSA-N 1 0 318.465 2.442 10 30 DEEERO COc1cc(CNC2=[NH+]C[C@@H](C)N2)ccc1OC1CCCC1 ZINC000262200924 533710890 /nfs/dbraw/zinc/71/08/90/533710890.db2.gz AUEZCAWVJKSPHL-GFCCVEGCSA-N 1 0 303.406 2.454 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)NCCCc2ccccn2)CC1 ZINC000179213490 337168293 /nfs/dbraw/zinc/16/82/93/337168293.db2.gz MLHZJZSCZJLRLH-UHFFFAOYSA-N 1 0 316.449 2.354 10 30 DEEERO C#CCC(C)(C)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000185419123 337205235 /nfs/dbraw/zinc/20/52/35/337205235.db2.gz HXKXZRILIUKUNN-HOTGVXAUSA-N 1 0 320.477 2.384 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000546630379 341176152 /nfs/dbraw/zinc/17/61/52/341176152.db2.gz VPRUPXANURNQGD-CQSZACIVSA-N 1 0 302.422 2.374 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000566673968 341564862 /nfs/dbraw/zinc/56/48/62/341564862.db2.gz JUNNVVQSRLPWDQ-YDHLFZDLSA-N 1 0 311.809 2.260 10 30 DEEERO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(C#N)cc1F ZINC000447598371 533834941 /nfs/dbraw/zinc/83/49/41/533834941.db2.gz HWKYWVQRWYYWKO-ZDUSSCGKSA-N 1 0 303.381 2.213 10 30 DEEERO CC(C)C(=O)N[C@H]1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000328710583 517403508 /nfs/dbraw/zinc/40/35/08/517403508.db2.gz BTJIILGPTHFERD-HNNXBMFYSA-N 1 0 321.465 2.464 10 30 DEEERO C=CCC[C@@H](O)C[N@@H+](CCOC)Cc1ccc(OC)c(OC)c1 ZINC000036095704 518716609 /nfs/dbraw/zinc/71/66/09/518716609.db2.gz PIMIJDCBHIUZDC-MRXNPFEDSA-N 1 0 323.433 2.479 10 30 DEEERO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418583232 526311289 /nfs/dbraw/zinc/31/12/89/526311289.db2.gz AUIRYOAYKMFJDK-DOTOQJQBSA-N 1 0 301.434 2.425 10 30 DEEERO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418581807 526337921 /nfs/dbraw/zinc/33/79/21/526337921.db2.gz VAUJJHZQIUIEIX-RHSMWYFYSA-N 1 0 317.433 2.391 10 30 DEEERO C[NH+]=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1C[C@H]1C ZINC000263248134 526377619 /nfs/dbraw/zinc/37/76/19/526377619.db2.gz NSGWWZGYTHWODS-MGPQQGTHSA-N 1 0 306.479 2.458 10 30 DEEERO C[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)N(C)Cc1csc(C)n1 ZINC000261846145 526378082 /nfs/dbraw/zinc/37/80/82/526378082.db2.gz WUZAFLAGXHZGQZ-ZBFHGGJFSA-N 1 0 324.494 2.400 10 30 DEEERO C[NH+]=C(NCc1ccsc1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261913356 526388087 /nfs/dbraw/zinc/38/80/87/526388087.db2.gz JOURQQDPSTYHSX-UHFFFAOYSA-N 1 0 322.478 2.155 10 30 DEEERO C[NH+]=C(NCc1nnc(C)n1C)N[C@H](C)c1ccccc1Cl ZINC000261946019 526392495 /nfs/dbraw/zinc/39/24/95/526392495.db2.gz FXNQLNGKRGINJR-SNVBAGLBSA-N 1 0 320.828 2.203 10 30 DEEERO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262625351 526618389 /nfs/dbraw/zinc/61/83/89/526618389.db2.gz PZAPINDKJPJBNK-RYUDHWBXSA-N 1 0 302.378 2.060 10 30 DEEERO C=CCNC(=O)[C@H](C)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000370006579 526634381 /nfs/dbraw/zinc/63/43/81/526634381.db2.gz CZFNTTZOSMUOQU-IRXDYDNUSA-N 1 0 315.461 2.274 10 30 DEEERO C=CCNc1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000245999354 526681044 /nfs/dbraw/zinc/68/10/44/526681044.db2.gz OHYUPWPJJTUNGZ-QWHCGFSZSA-N 1 0 320.462 2.297 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373883315 526796527 /nfs/dbraw/zinc/79/65/27/526796527.db2.gz WOBDRUGYZLSINI-OTBWCIGPSA-N 1 0 321.465 2.284 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000363772865 527088419 /nfs/dbraw/zinc/08/84/19/527088419.db2.gz AFJCVSVUHONBDY-KRWDZBQOSA-N 1 0 323.481 2.267 10 30 DEEERO C=CCCC[C@H](C)[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000340873076 527275464 /nfs/dbraw/zinc/27/54/64/527275464.db2.gz DCFYVFAISQFTMH-GJZGRUSLSA-N 1 0 314.437 2.380 10 30 DEEERO C#Cc1ccc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000296587834 527435975 /nfs/dbraw/zinc/43/59/75/527435975.db2.gz GGMGIBGSYRPFPT-YJBOKZPZSA-N 1 0 311.429 2.436 10 30 DEEERO CC(C)[NH2+]C1CCN(C(=O)Nc2cn(C)nc2C2CC2)CC1 ZINC000329639665 527733744 /nfs/dbraw/zinc/73/37/44/527733744.db2.gz WRPRLMYVMXDDHY-UHFFFAOYSA-N 1 0 305.426 2.305 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=[NH2+])N2CCC(C)CC2)C12CCOCC2 ZINC000184595342 527893323 /nfs/dbraw/zinc/89/33/23/527893323.db2.gz XNHSMMAFTVDTRE-LSDHHAIUSA-N 1 0 309.454 2.007 10 30 DEEERO CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=[NH2+])NC1CC1)O[C@@H](C)C2 ZINC000263107360 528349296 /nfs/dbraw/zinc/34/92/96/528349296.db2.gz AEWDIUMYOFZNLL-VZJVUDMVSA-N 1 0 315.417 2.331 10 30 DEEERO CCNC(=[NH2+])N[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000262530000 528941886 /nfs/dbraw/zinc/94/18/86/528941886.db2.gz NBIOISOYIRJJEH-ZKYQVNSYSA-N 1 0 303.406 2.189 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000245438044 535588480 /nfs/dbraw/zinc/58/84/80/535588480.db2.gz XGGZPQRNDMRMLO-HOCLYGCPSA-N 1 0 315.417 2.268 10 30 DEEERO C#CCOc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000161775490 625176795 /nfs/dbraw/zinc/17/67/95/625176795.db2.gz JLCITHIPKLHHPO-INIZCTEOSA-N 1 0 302.418 2.405 10 30 DEEERO C#CCOc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000734133668 633339552 /nfs/dbraw/zinc/33/95/52/633339552.db2.gz HLVXPZBFPWTZGH-MRXNPFEDSA-N 1 0 300.402 2.189 10 30 DEEERO C[NH+]=C(NCCNc1ncc(Cl)cc1Cl)N[C@@H]1C[C@H]1C ZINC000083908281 633799443 /nfs/dbraw/zinc/79/94/43/633799443.db2.gz MAPVXWFBHPWJFJ-LDYMZIIASA-N 1 0 316.236 2.374 10 30 DEEERO CCN(C[C@@H](C)C#N)Cn1cnc2c1ncnc2NC(C)C ZINC000170902814 646674172 /nfs/dbraw/zinc/67/41/72/646674172.db2.gz NPTAISNCASGIQO-LBPRGKRZSA-N 1 0 301.398 2.086 10 30 DEEERO CC[NH+]=C(NC[C@@H]1CCCO1)NC[C@H]1CCc2ccccc21 ZINC000174056575 646789686 /nfs/dbraw/zinc/78/96/86/646789686.db2.gz LQWAGPXSEOTBGJ-CVEARBPZSA-N 1 0 301.434 2.451 10 30 DEEERO C#CCOCCC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183172308 649045011 /nfs/dbraw/zinc/04/50/11/649045011.db2.gz GEESHAHGBQKXKF-QGZVFWFLSA-N 1 0 301.386 2.234 10 30 DEEERO CNC(=O)c1cccc(CCNC(=[NH2+])Nc2cccc(C)c2)c1 ZINC000304744680 685258951 /nfs/dbraw/zinc/25/89/51/685258951.db2.gz DSSOFZUDVVYMPC-UHFFFAOYSA-N 1 0 310.401 2.324 10 30 DEEERO CC(C)[C@H](C)CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120935 684019721 /nfs/dbraw/zinc/01/97/21/684019721.db2.gz JEANGJREVBHPRK-ZIAGYGMSSA-N 1 0 324.469 2.159 10 30 DEEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1 ZINC000245543866 685114113 /nfs/dbraw/zinc/11/41/13/685114113.db2.gz RMDBXCSFUSUTLD-NFAWXSAZSA-N 1 0 301.390 2.063 10 30 DEEERO CN(CCNC(=[NH2+])NCCc1cccs1)c1ccccc1 ZINC000303772904 685233701 /nfs/dbraw/zinc/23/37/01/685233701.db2.gz DVKRGPSPLBBPTF-UHFFFAOYSA-N 1 0 302.447 2.331 10 30 DEEERO C[C@H](C(=O)Nc1ccccc1C(C)(C)C)[N+]12CCN(CC1)CC2 ZINC000029226478 717117264 /nfs/dbraw/zinc/11/72/64/717117264.db2.gz WZLRUZFMCYSGJX-OAHLLOKOSA-O 1 0 316.469 2.457 10 30 DEEERO Cc1ccc(NC(=O)[C@@H](C)[N+]23CCN(CC2)CC3)cc1Cl ZINC000029225730 717117354 /nfs/dbraw/zinc/11/73/54/717117354.db2.gz QPVCHPXUWXOUPZ-CYBMUJFWSA-O 1 0 308.833 2.121 10 30 DEEERO CCc1cccc(C)c1NC(=O)[C@@H](C)[N+]12CCN(CC1)CC2 ZINC000029226275 717117369 /nfs/dbraw/zinc/11/73/69/717117369.db2.gz QIFOTXDSTRJOJT-OAHLLOKOSA-O 1 0 302.442 2.030 10 30 DEEERO COC(=O)c1cccc(NC(=O)C[N+](C)(C)C2CCCC2)c1 ZINC000029414220 717118515 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COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cccc(C#N)c1F ZINC000615634057 362665512 /nfs/dbraw/zinc/66/55/12/362665512.db2.gz VAFLUBUNODIUFX-INWMFGNUSA-N 1 0 302.349 2.471 10 30 DEEERO C=CCNC(=O)[C@H](C)Oc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398324 190966241 /nfs/dbraw/zinc/96/62/41/190966241.db2.gz QRDFHJDZQFHPKB-VIFPVBQESA-N 1 0 302.296 2.234 10 30 DEEERO C[C@H]1SCCN(C(=O)c2cc(F)ccc2C#CC[NH3+])[C@H]1C ZINC000133670997 186005210 /nfs/dbraw/zinc/00/52/10/186005210.db2.gz FCMOMANYTQOKEQ-NWDGAFQWSA-N 1 0 306.406 2.102 10 30 DEEERO CC[NH+]1CCN(c2ccc(C(=O)N(C)[C@H](C)CC#N)cc2)CC1 ZINC000155807141 186114829 /nfs/dbraw/zinc/11/48/29/186114829.db2.gz BOTPWXRIXPRKBH-OAHLLOKOSA-N 1 0 314.433 2.203 10 30 DEEERO COc1ccc(C#N)cc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000264264919 186333164 /nfs/dbraw/zinc/33/31/64/186333164.db2.gz SMLOVAYLZSTAKY-AWEZNQCLSA-N 1 0 314.389 2.269 10 30 DEEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626124406 366063338 /nfs/dbraw/zinc/06/33/38/366063338.db2.gz MQVXWDOJYDPZCL-TZMCWYRMSA-N 1 0 306.381 2.314 10 30 DEEERO COc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1C#N ZINC000172688631 198137367 /nfs/dbraw/zinc/13/73/67/198137367.db2.gz KHZQOALYMXWWET-MRXNPFEDSA-N 1 0 323.400 2.115 10 30 DEEERO C=CCOc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](C)C2)cc1OC ZINC000617559159 363187376 /nfs/dbraw/zinc/18/73/76/363187376.db2.gz UTZXMNYHLAEMGU-OAHLLOKOSA-N 1 0 318.417 2.426 10 30 DEEERO C[C@H](NC(=O)C1CCCC1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000329385474 539919591 /nfs/dbraw/zinc/91/95/91/539919591.db2.gz PZTFRBHCYMIBGQ-YDHLFZDLSA-N 1 0 307.438 2.217 10 30 DEEERO C[C@H]1C[C@H](N(C)C(=O)NCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000173791531 198252049 /nfs/dbraw/zinc/25/20/49/198252049.db2.gz BWFSASCXVBUGQY-XJKSGUPXSA-N 1 0 300.406 2.182 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617703113 363228588 /nfs/dbraw/zinc/22/85/88/363228588.db2.gz BOPYJAUDUQUYFU-QAPCUYQASA-N 1 0 316.445 2.472 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCC[C@@H]1O)C(C)C ZINC000073710682 354976639 /nfs/dbraw/zinc/97/66/39/354976639.db2.gz MTCHYGGQJZJPGB-ZACQAIPSSA-N 1 0 323.481 2.145 10 30 DEEERO C=CCCC[C@@H](C)[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000091591084 355601219 /nfs/dbraw/zinc/60/12/19/355601219.db2.gz GGAXXHRWSGFXAL-IAGOWNOFSA-N 1 0 307.482 2.360 10 30 DEEERO C=CCCC[C@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000182147692 356111767 /nfs/dbraw/zinc/11/17/67/356111767.db2.gz LYSZYYVQJBTHKO-ARFHVFGLSA-N 1 0 311.470 2.218 10 30 DEEERO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182279673 356119016 /nfs/dbraw/zinc/11/90/16/356119016.db2.gz VCIWXRCLDYXCIV-STQMWFEESA-N 1 0 317.389 2.074 10 30 DEEERO C[N+](C)(C)CC(=O)N1CCC(C#N)(CCc2ccccc2)CC1 ZINC000219250403 356273474 /nfs/dbraw/zinc/27/34/74/356273474.db2.gz SAFCQRWBJDVRDR-UHFFFAOYSA-N 1 0 314.453 2.458 10 30 DEEERO C=C(C)CN(CC)S(=O)(=O)c1ccc(C[NH2+]C(C)C)cn1 ZINC000088929566 192660339 /nfs/dbraw/zinc/66/03/39/192660339.db2.gz YOXAICCHKUHVGX-UHFFFAOYSA-N 1 0 311.451 2.166 10 30 DEEERO C=CCC(C)(C)CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627044075 366420494 /nfs/dbraw/zinc/42/04/94/366420494.db2.gz YIKFOPHJNFPKCN-MRXNPFEDSA-N 1 0 323.481 2.389 10 30 DEEERO C=CC[C@H]1CCC[N@@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595659893 358515286 /nfs/dbraw/zinc/51/52/86/358515286.db2.gz QTUJRHWDVLILGS-GJZGRUSLSA-N 1 0 322.449 2.217 10 30 DEEERO C=CC[C@@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000595925987 358582602 /nfs/dbraw/zinc/58/26/02/358582602.db2.gz ATMYWYGLYTWMGF-INIZCTEOSA-N 1 0 303.362 2.252 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)OC)c(C)c2)CCC[NH2+]1 ZINC000595934440 358583372 /nfs/dbraw/zinc/58/33/72/358583372.db2.gz CQJXHXVLLIVIHA-KRWDZBQOSA-N 1 0 302.374 2.418 10 30 DEEERO C=CC[C@@]1(C(=O)Nc2ccc(C)c(C(=O)OC)c2)CCC[NH2+]1 ZINC000595937925 358584223 /nfs/dbraw/zinc/58/42/23/358584223.db2.gz KWUFRMMVUKPZHE-KRWDZBQOSA-N 1 0 302.374 2.418 10 30 DEEERO C=CC[C@@]1(C(=O)N2CCC[C@@H](CCC(=O)OCC)C2)CCC[NH2+]1 ZINC000595955623 358586294 /nfs/dbraw/zinc/58/62/94/358586294.db2.gz BZQCCQPKQJYYSV-YJBOKZPZSA-N 1 0 322.449 2.267 10 30 DEEERO C=CC[C@@]1(C(=O)N2CCC[C@H](CCC(=O)OCC)C2)CCC[NH2+]1 ZINC000595955622 358586531 /nfs/dbraw/zinc/58/65/31/358586531.db2.gz BZQCCQPKQJYYSV-QAPCUYQASA-N 1 0 322.449 2.267 10 30 DEEERO C=CC[C@@]1(C(=O)N2CC[C@](C(=O)OCC)(C(C)C)C2)CCC[NH2+]1 ZINC000595961267 358586692 /nfs/dbraw/zinc/58/66/92/358586692.db2.gz GMDPMAGSJRLNRE-MSOLQXFVSA-N 1 0 322.449 2.123 10 30 DEEERO C[N@H+](Cc1ccc(Br)cc1C#N)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599651935 359557173 /nfs/dbraw/zinc/55/71/73/359557173.db2.gz ISEKRUHDOMZLQQ-GSJFWJNXSA-N 1 0 322.206 2.016 10 30 DEEERO C=CCC(CC=C)C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627740209 366606856 /nfs/dbraw/zinc/60/68/56/366606856.db2.gz GFVOQKNDKKKROI-UHFFFAOYSA-N 1 0 306.450 2.468 10 30 DEEERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1C ZINC000189271036 200373021 /nfs/dbraw/zinc/37/30/21/200373021.db2.gz GKWFUWFJKRESQU-CJNGLKHVSA-N 1 0 301.390 2.244 10 30 DEEERO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609252748 361291675 /nfs/dbraw/zinc/29/16/75/361291675.db2.gz JOSCEJCCHUVXOQ-CQSZACIVSA-N 1 0 318.396 2.228 10 30 DEEERO C=CCCN[C@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1 ZINC000611796749 361684321 /nfs/dbraw/zinc/68/43/21/361684321.db2.gz SSXVIMFLQUJNSK-GOSISDBHSA-N 1 0 302.418 2.360 10 30 DEEERO C=C[C@H](C(=O)OC)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000619718560 363865012 /nfs/dbraw/zinc/86/50/12/363865012.db2.gz PNEOOJREKQPXBW-NVXWUHKLSA-N 1 0 302.418 2.310 10 30 DEEERO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000449308500 240344427 /nfs/dbraw/zinc/34/44/27/240344427.db2.gz XRSYIMNLCLMMHP-RRFJBIMHSA-N 1 0 302.484 2.429 10 30 DEEERO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC(=O)N2)cc1OC ZINC000623570674 365083258 /nfs/dbraw/zinc/08/32/58/365083258.db2.gz AJTHGSLSGMHAMF-LBPRGKRZSA-N 1 0 324.808 2.282 10 30 DEEERO C=CC[C@H]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000623634206 365111267 /nfs/dbraw/zinc/11/12/67/365111267.db2.gz XHGZQXGNRAHDMJ-INIZCTEOSA-N 1 0 321.465 2.239 10 30 DEEERO C=CCCCCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623898506 365213430 /nfs/dbraw/zinc/21/34/30/365213430.db2.gz LUNUZDZGQNJEOB-UHFFFAOYSA-N 1 0 309.454 2.239 10 30 DEEERO C=CCC[C@@H](CC)[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624115307 365294516 /nfs/dbraw/zinc/29/45/16/365294516.db2.gz SACBKMNLQOYXJK-ZIAGYGMSSA-N 1 0 300.410 2.037 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000624464492 365430098 /nfs/dbraw/zinc/43/00/98/365430098.db2.gz BAQMZITWFBISOF-HZPDHXFCSA-N 1 0 323.481 2.266 10 30 DEEERO C=CCCO[C@@H](C)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000629417588 367194256 /nfs/dbraw/zinc/19/42/56/367194256.db2.gz HCAYAKNJSJUFIM-INIZCTEOSA-N 1 0 324.465 2.071 10 30 DEEERO N#CCc1ccc(S(=O)(=O)Nc2ccccc2C[NH3+])cc1 ZINC000092132171 193166900 /nfs/dbraw/zinc/16/69/00/193166900.db2.gz FLDXNPKZZXQRLK-UHFFFAOYSA-N 1 0 301.371 2.012 10 30 DEEERO CSc1ccc(C(=O)Nc2ncc(C#CC[NH3+])s2)cc1 ZINC000092232654 193177624 /nfs/dbraw/zinc/17/76/24/193177624.db2.gz YWTSIAVBAKQVGY-UHFFFAOYSA-N 1 0 303.412 2.428 10 30 DEEERO COc1ccc(N(C)C(=O)c2csc(C#CC[NH3+])c2)cc1 ZINC000093976315 193332551 /nfs/dbraw/zinc/33/25/51/193332551.db2.gz AMKOYUDCXXEKSZ-UHFFFAOYSA-N 1 0 300.383 2.344 10 30 DEEERO [NH3+]CC#Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)cs1 ZINC000093975753 193333372 /nfs/dbraw/zinc/33/33/72/193333372.db2.gz PUBRMWOEXTZXCZ-UHFFFAOYSA-N 1 0 300.339 2.039 10 30 DEEERO [NH3+]CC#Cc1ccccc1O[C@H]1CCO[C@]2(CCSC2)C1 ZINC000094408507 193367460 /nfs/dbraw/zinc/36/74/60/193367460.db2.gz OWRSELYKKXEDHH-DOTOQJQBSA-N 1 0 303.427 2.430 10 30 DEEERO Cc1cc(C(=O)N2C[C@@H](C)S[C@@H](C)C2)sc1C#CC[NH3+] ZINC000094536876 193378617 /nfs/dbraw/zinc/37/86/17/193378617.db2.gz BBKHSOYSSOUGSB-TXEJJXNPSA-N 1 0 308.472 2.333 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCc3ccccc3C2)CC1 ZINC000264455992 203937548 /nfs/dbraw/zinc/93/75/48/203937548.db2.gz ZWEMHVATZUOQFX-SFHVURJKSA-N 1 0 313.445 2.494 10 30 DEEERO COC(=O)[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1cccc(C#N)c1 ZINC000246294920 284287853 /nfs/dbraw/zinc/28/78/53/284287853.db2.gz UUTMQXUBRYXNMK-IAOVAPTHSA-N 1 0 315.417 2.091 10 30 DEEERO C=CCN(C1CC1)S(=O)(=O)c1c(C)oc(C)c1C[NH2+]CC ZINC000159888850 197370953 /nfs/dbraw/zinc/37/09/53/197370953.db2.gz PITPAAJPCHNDAY-UHFFFAOYSA-N 1 0 312.435 2.345 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1CC ZINC000106120159 194187724 /nfs/dbraw/zinc/18/77/24/194187724.db2.gz XJVBRJVPTPVSIS-SFHVURJKSA-N 1 0 301.434 2.491 10 30 DEEERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)n1cnc(C#N)n1 ZINC000061841946 184189754 /nfs/dbraw/zinc/18/97/54/184189754.db2.gz WOUOFSZCDXHLTM-DGCLKSJQSA-N 1 0 320.194 2.239 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000066224409 184397870 /nfs/dbraw/zinc/39/78/70/184397870.db2.gz GFEHXIZOGVVYHS-UHFFFAOYSA-N 1 0 315.417 2.417 10 30 DEEERO C=C[C@](C)(C[NH2+]CC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000158967349 197314862 /nfs/dbraw/zinc/31/48/62/197314862.db2.gz NEDBUKHXOJZUEK-HOTGVXAUSA-N 1 0 316.511 2.486 10 30 DEEERO CC[C@H]1CN(C(=O)c2ccc(C#CC[NH3+])c(C)c2)CCS1 ZINC000157979390 197232292 /nfs/dbraw/zinc/23/22/92/197232292.db2.gz TYMGRNFSYJTEAJ-INIZCTEOSA-N 1 0 302.443 2.273 10 30 DEEERO [NH3+]CC#Cc1cc(F)ccc1C(=O)NC[C@H]1CCCCS1 ZINC000156568386 197124201 /nfs/dbraw/zinc/12/42/01/197124201.db2.gz UALGCMMTAZWYHN-CQSZACIVSA-N 1 0 306.406 2.151 10 30 DEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)NC[C@@H]1CCCCS1 ZINC000156568537 197123579 /nfs/dbraw/zinc/12/35/79/197123579.db2.gz OPSGGKOUTPJKCB-HNNXBMFYSA-N 1 0 302.443 2.321 10 30 DEEERO C=CCN(CC=C)S(=O)(=O)c1cc(F)c(Cl)c(C[NH3+])c1 ZINC000122088381 195398990 /nfs/dbraw/zinc/39/89/90/195398990.db2.gz LIRGVTPAVHVWHG-UHFFFAOYSA-N 1 0 318.801 2.301 10 30 DEEERO Cn1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1C#N ZINC000191285651 145055361 /nfs/dbraw/zinc/05/53/61/145055361.db2.gz XCQRPYOLSFNSQT-QGZVFWFLSA-N 1 0 303.406 2.057 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193807933 145090423 /nfs/dbraw/zinc/09/04/23/145090423.db2.gz OBBWJRWJVDIIOG-MRXNPFEDSA-N 1 0 322.412 2.149 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)cc1C#N ZINC000246133468 145093847 /nfs/dbraw/zinc/09/38/47/145093847.db2.gz RCMNWMPCBNNBHL-FZMZJTMJSA-N 1 0 302.353 2.398 10 30 DEEERO N#Cc1cccnc1-n1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000248390912 145152324 /nfs/dbraw/zinc/15/23/24/145152324.db2.gz COMNPYCEOQNEHB-HOCLYGCPSA-N 1 0 308.389 2.178 10 30 DEEERO C[C@@H]([NH2+]CCN1CCOCC1(C)C)c1ccc(C#N)cc1F ZINC000358564884 147157660 /nfs/dbraw/zinc/15/76/60/147157660.db2.gz XXEAVAHSZXFVNG-CYBMUJFWSA-N 1 0 305.397 2.459 10 30 DEEERO C[NH+](C)C[C@@H](NC(=O)COc1ccccc1C#N)c1ccccc1 ZINC000007816889 401744590 /nfs/dbraw/zinc/74/45/90/401744590.db2.gz JIWHZGHMHAABKG-QGZVFWFLSA-N 1 0 323.396 2.356 10 30 DEEERO C=CCOc1ccc(CN2CCO[C@H](C[NH+](C)C)C2)cc1OC ZINC000128094978 401762920 /nfs/dbraw/zinc/76/29/20/401762920.db2.gz NIWVJDRCZHHUPD-MRXNPFEDSA-N 1 0 320.433 2.022 10 30 DEEERO CC(C)[N@H+](CC(=O)Nc1sccc1C#N)C1CCOCC1 ZINC000077323453 401810189 /nfs/dbraw/zinc/81/01/89/401810189.db2.gz KYTPVJWPHSCKEL-UHFFFAOYSA-N 1 0 307.419 2.448 10 30 DEEERO C[C@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1 ZINC000132370213 401866164 /nfs/dbraw/zinc/86/61/64/401866164.db2.gz HTXQHSOXUGJFGN-WMLDXEAASA-N 1 0 315.417 2.016 10 30 DEEERO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1nccs1 ZINC000134236091 401900650 /nfs/dbraw/zinc/90/06/50/401900650.db2.gz YITKOBVANQMDSZ-UKRRQHHQSA-N 1 0 317.414 2.495 10 30 DEEERO C=C[C@@H](CC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000135016411 401923891 /nfs/dbraw/zinc/92/38/91/401923891.db2.gz FOPNPBILRMPFEM-DOTOQJQBSA-N 1 0 302.418 2.135 10 30 DEEERO C#CCCCCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000119590635 401960672 /nfs/dbraw/zinc/96/06/72/401960672.db2.gz RBRWCSZFZUBYML-QGZVFWFLSA-N 1 0 301.434 2.262 10 30 DEEERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000046279536 401968465 /nfs/dbraw/zinc/96/84/65/401968465.db2.gz NJDOWBCUVMXDAS-CQSZACIVSA-N 1 0 302.422 2.430 10 30 DEEERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000052594124 402044531 /nfs/dbraw/zinc/04/45/31/402044531.db2.gz FFCXWQQSMUSZAM-MRXNPFEDSA-N 1 0 300.406 2.184 10 30 DEEERO C=CCc1cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc(OC)c1O ZINC000092588571 402006685 /nfs/dbraw/zinc/00/66/85/402006685.db2.gz SGUBJGOIEICHOM-HNNXBMFYSA-N 1 0 318.417 2.359 10 30 DEEERO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)CCN1C ZINC000123071306 402108756 /nfs/dbraw/zinc/10/87/56/402108756.db2.gz FYPCRUCEUBDDAT-OCCSQVGLSA-N 1 0 320.462 2.363 10 30 DEEERO C#CCOCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000123634138 402139274 /nfs/dbraw/zinc/13/92/74/402139274.db2.gz WVSNLGSWYKIXQQ-SFHVURJKSA-N 1 0 314.429 2.197 10 30 DEEERO C=CCN(CC=C)C(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153051789 402124319 /nfs/dbraw/zinc/12/43/19/402124319.db2.gz ZLVIMSYQUKUPRA-UHFFFAOYSA-N 1 0 315.373 2.154 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000123791923 402146193 /nfs/dbraw/zinc/14/61/93/402146193.db2.gz PPCNCDRNTOGRFN-HOCLYGCPSA-N 1 0 317.433 2.360 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H](CO)CC(C)C ZINC000185323899 402343362 /nfs/dbraw/zinc/34/33/62/402343362.db2.gz KTUVLTZMHOTTEE-OAHLLOKOSA-N 1 0 306.406 2.284 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176899453 402348218 /nfs/dbraw/zinc/34/82/18/402348218.db2.gz DOSPIQIUCHXVLV-ZDUSSCGKSA-N 1 0 324.384 2.421 10 30 DEEERO Clc1ccc(C#CC[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000177310635 402389936 /nfs/dbraw/zinc/38/99/36/402389936.db2.gz YIPQFJHEORBTDN-QGZVFWFLSA-N 1 0 304.821 2.098 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCCOC1)C(C)C ZINC000171597220 402599844 /nfs/dbraw/zinc/59/98/44/402599844.db2.gz FEGQWPSUCQXTTM-HOTGVXAUSA-N 1 0 309.454 2.163 10 30 DEEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ncccc2C#N)C1 ZINC000190446657 402601891 /nfs/dbraw/zinc/60/18/91/402601891.db2.gz MQDVTSICTNFIIA-MRXNPFEDSA-N 1 0 307.401 2.307 10 30 DEEERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccnc(C#N)c1 ZINC000248828355 402609948 /nfs/dbraw/zinc/60/99/48/402609948.db2.gz DNAGKANNJGHLOT-MCIONIFRSA-N 1 0 300.406 2.049 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCC(OCC(C)C)CC2)CC1 ZINC000171739881 402616804 /nfs/dbraw/zinc/61/68/04/402616804.db2.gz MLEZGVUKGYEGMH-UHFFFAOYSA-N 1 0 323.481 2.483 10 30 DEEERO CO[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[C@@H]1C ZINC000251917403 402651325 /nfs/dbraw/zinc/65/13/25/402651325.db2.gz SDFZATZMVOPDJU-IAOVAPTHSA-N 1 0 313.401 2.020 10 30 DEEERO CO[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@@H]1C ZINC000252012474 402652253 /nfs/dbraw/zinc/65/22/53/402652253.db2.gz XTYCYLLUAFFIKE-LSDHHAIUSA-N 1 0 307.438 2.028 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000175197615 402786777 /nfs/dbraw/zinc/78/67/77/402786777.db2.gz GMFWJGXHZRDHNM-UHFFFAOYSA-N 1 0 302.422 2.281 10 30 DEEERO N#CCSc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000176048451 402850207 /nfs/dbraw/zinc/85/02/07/402850207.db2.gz XFRIRDRAXBWVBL-AWEZNQCLSA-N 1 0 301.415 2.222 10 30 DEEERO N#CCSc1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000176048433 402850282 /nfs/dbraw/zinc/85/02/82/402850282.db2.gz XFRIRDRAXBWVBL-CQSZACIVSA-N 1 0 301.415 2.222 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000278850176 402878136 /nfs/dbraw/zinc/87/81/36/402878136.db2.gz LFIJIESXMNHMPA-MRXNPFEDSA-N 1 0 308.425 2.212 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)c1cn[nH]c1)C(C)C ZINC000270348170 403182656 /nfs/dbraw/zinc/18/26/56/403182656.db2.gz VTJLERFNENIETK-ZBFHGGJFSA-N 1 0 319.453 2.469 10 30 DEEERO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000283342336 403190852 /nfs/dbraw/zinc/19/08/52/403190852.db2.gz RNZBSHNISXSRKI-UHFFFAOYSA-N 1 0 324.432 2.201 10 30 DEEERO C=CCC[N@@H+](C)CC(=O)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000342729641 403325058 /nfs/dbraw/zinc/32/50/58/403325058.db2.gz XOAMCBCISWEKMJ-QGZVFWFLSA-N 1 0 315.461 2.400 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C#N)ccn1)C(C)C ZINC000287453217 403602026 /nfs/dbraw/zinc/60/20/26/403602026.db2.gz GROOJIJXRVEGNR-KRWDZBQOSA-N 1 0 312.417 2.382 10 30 DEEERO C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000347295365 403653904 /nfs/dbraw/zinc/65/39/04/403653904.db2.gz XWCSXROQSBOASZ-JLJPHGGASA-N 1 0 300.402 2.337 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](O)C1(C)C)C(C)C ZINC000361879195 403907899 /nfs/dbraw/zinc/90/78/99/403907899.db2.gz HSRBKGSOUVYZHD-HOTGVXAUSA-N 1 0 323.481 2.240 10 30 DEEERO CN(C(=O)c1ccc(C#N)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310193064 403965765 /nfs/dbraw/zinc/96/57/65/403965765.db2.gz ZDKAUELXWICRKK-KRWDZBQOSA-N 1 0 320.396 2.300 10 30 DEEERO CCn1nccc1CN1CC[C@H](n2ccc(NC(C)=O)n2)C1 ZINC000328618342 404115592 /nfs/dbraw/zinc/11/55/92/404115592.db2.gz DQLXXFHPJFDEOR-AWEZNQCLSA-N 1 0 302.382 2.154 10 30 DEEERO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCOC2)[C@@H]1c1cccnc1 ZINC000328625069 404117160 /nfs/dbraw/zinc/11/71/60/404117160.db2.gz KJPLCYGJKBXNTF-JYJNAYRXSA-N 1 0 303.406 2.458 10 30 DEEERO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCOC2)[C@@H]1c1cccnc1 ZINC000328625070 404117466 /nfs/dbraw/zinc/11/74/66/404117466.db2.gz KJPLCYGJKBXNTF-XHSDSOJGSA-N 1 0 303.406 2.458 10 30 DEEERO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccncc2C#N)CC1 ZINC000369559240 404142533 /nfs/dbraw/zinc/14/25/33/404142533.db2.gz GFVAMAXJRURVAI-AWEZNQCLSA-N 1 0 307.401 2.408 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000342219971 404449433 /nfs/dbraw/zinc/44/94/33/404449433.db2.gz SJZUYEKPYGTTBV-AWEZNQCLSA-N 1 0 309.431 2.166 10 30 DEEERO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330155395 404568513 /nfs/dbraw/zinc/56/85/13/404568513.db2.gz YGSKDGSFLLOHAK-IXYNUQLISA-N 1 0 318.421 2.081 10 30 DEEERO C=C(C)CN(CC)C(=O)CN1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000373966503 404658747 /nfs/dbraw/zinc/65/87/47/404658747.db2.gz BMSUBFKJPIOHJD-XYJFISCASA-N 1 0 324.465 2.069 10 30 DEEERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CC12COC2 ZINC000451136733 404876176 /nfs/dbraw/zinc/87/61/76/404876176.db2.gz NVNJBCPJRAINAE-BBRMVZONSA-N 1 0 314.385 2.131 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH2+]C1(CC(=O)OCC)CCCC1 ZINC000434612099 404914638 /nfs/dbraw/zinc/91/46/38/404914638.db2.gz ODWFOSBHOFSROC-UHFFFAOYSA-N 1 0 310.438 2.267 10 30 DEEERO Cc1nsc(N2CC[NH+](C[C@H]3CCO[C@H](C)C3)CC2)c1C#N ZINC000408212412 405140925 /nfs/dbraw/zinc/14/09/25/405140925.db2.gz WLWLFRFNVRFFMC-OCCSQVGLSA-N 1 0 320.462 2.260 10 30 DEEERO C=CCSCCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000354418897 405205257 /nfs/dbraw/zinc/20/52/57/405205257.db2.gz SXPXSDWQLJIEHD-UHFFFAOYSA-N 1 0 304.459 2.470 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000424934544 405215309 /nfs/dbraw/zinc/21/53/09/405215309.db2.gz VRKUBSGMGYAHKF-UXLLHSPISA-N 1 0 306.450 2.348 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000425855639 405324719 /nfs/dbraw/zinc/32/47/19/405324719.db2.gz MOKPXLCGXFJRLX-ULQDDVLXSA-N 1 0 321.465 2.237 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000425860611 405324840 /nfs/dbraw/zinc/32/48/40/405324840.db2.gz UJNDUHAUAWQWLP-BBWFWOEESA-N 1 0 321.465 2.237 10 30 DEEERO Cn1c(C#N)ccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000448700446 405438465 /nfs/dbraw/zinc/43/84/65/405438465.db2.gz LRRRAOBXHIODOY-INIZCTEOSA-N 1 0 322.412 2.291 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@H]2CCCN2CCCO)cc1 ZINC000449385974 405535052 /nfs/dbraw/zinc/53/50/52/405535052.db2.gz GXVKVSCNLZGRHV-QGZVFWFLSA-N 1 0 304.434 2.188 10 30 DEEERO C=CCOc1ccc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)cc1OC ZINC000449676319 405685871 /nfs/dbraw/zinc/68/58/71/405685871.db2.gz GIPDRKZFZPIJMJ-GOEBONIOSA-N 1 0 321.417 2.232 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000459041119 405709849 /nfs/dbraw/zinc/70/98/49/405709849.db2.gz MABUKLPZNQXELP-JJXSEGSLSA-N 1 0 309.454 2.092 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000636524992 405998946 /nfs/dbraw/zinc/99/89/46/405998946.db2.gz ZECFUILGMYGAQU-INIZCTEOSA-N 1 0 324.513 2.160 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000562660458 406054052 /nfs/dbraw/zinc/05/40/52/406054052.db2.gz CVBLYKXSWQAFFU-CVEARBPZSA-N 1 0 309.454 2.284 10 30 DEEERO C=CCCCCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000568193607 406209770 /nfs/dbraw/zinc/20/97/70/406209770.db2.gz OEUPEWSFORNQCV-DLBZAZTESA-N 1 0 323.481 2.410 10 30 DEEERO C=CC[C@H](CO)[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634721084 406246015 /nfs/dbraw/zinc/24/60/15/406246015.db2.gz UDPLZGLSKHCKNP-OLZOCXBDSA-N 1 0 320.216 2.260 10 30 DEEERO C=C[C@H](C)NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638002671 406518160 /nfs/dbraw/zinc/51/81/60/406518160.db2.gz KLABKJDFBVBYGU-HNNXBMFYSA-N 1 0 301.434 2.061 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571462259 406524866 /nfs/dbraw/zinc/52/48/66/406524866.db2.gz YVVMZYNQYJRQPD-KSZLIROESA-N 1 0 314.429 2.216 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000575754367 406826698 /nfs/dbraw/zinc/82/66/98/406826698.db2.gz UXAYMQHRCRZLGG-AWEZNQCLSA-N 1 0 300.402 2.352 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000576935362 406834062 /nfs/dbraw/zinc/83/40/62/406834062.db2.gz IVMDOUJNFDAFDA-HRCADAONSA-N 1 0 302.418 2.420 10 30 DEEERO C#CC[C@@H](CC)NS(=O)(=O)c1ccc(C[NH2+]C2CC2)cc1 ZINC000131275915 196156132 /nfs/dbraw/zinc/15/61/32/196156132.db2.gz ZXWHKFTVWWQTFC-CQSZACIVSA-N 1 0 306.431 2.019 10 30 DEEERO CCC[NH2+][C@@H](C)c1ccc(OCC(=O)NCC#N)c(Cl)c1 ZINC000132507671 196261346 /nfs/dbraw/zinc/26/13/46/196261346.db2.gz HOLPQLZOAAIGFS-NSHDSACASA-N 1 0 309.797 2.419 10 30 DEEERO C=CCCCN(C)S(=O)(=O)c1ccc(CC[NH2+]C)s1 ZINC000136058584 196518500 /nfs/dbraw/zinc/51/85/00/196518500.db2.gz IODYPNKQOATRAZ-UHFFFAOYSA-N 1 0 302.465 2.097 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NCc1ccc2c(c1)OCO2 ZINC000262234574 225266908 /nfs/dbraw/zinc/26/69/08/225266908.db2.gz HDWCUPQWIWNNMW-UHFFFAOYSA-N 1 0 303.387 2.124 10 30 DEEERO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NCC1=CCOCC1 ZINC000263168795 225291850 /nfs/dbraw/zinc/29/18/50/225291850.db2.gz RRGRKZVUKSWCKW-UHFFFAOYSA-N 1 0 313.323 2.456 10 30 DEEERO N#CC1CCC(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000374246605 227129636 /nfs/dbraw/zinc/12/96/36/227129636.db2.gz ZIXNOHHMUFOAML-UYSNPLJNSA-N 1 0 304.438 2.196 10 30 DEEERO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccoc2C2CC2)c1C#N ZINC000619619739 422530372 /nfs/dbraw/zinc/53/03/72/422530372.db2.gz NDLIEJWTBFNDEB-UHFFFAOYSA-N 1 0 313.361 2.156 10 30 DEEERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(NCC3CC3)nc2)C1 ZINC000328731590 424901645 /nfs/dbraw/zinc/90/16/45/424901645.db2.gz WZHZRPJCZLHTQU-OAHLLOKOSA-N 1 0 302.422 2.692 10 30 DEEERO C[N@@H+]1CCC[C@@H](CNc2cc(C#N)ncn2)[C@@H]1c1cccs1 ZINC000584328950 424989416 /nfs/dbraw/zinc/98/94/16/424989416.db2.gz YVBPLSLQLOFKKP-BLLLJJGKSA-N 1 0 313.430 2.905 10 30 DEEERO C[N@@H+]1CCC[C@H](CNc2cc(C#N)ncn2)[C@@H]1c1cccs1 ZINC000584328952 424989650 /nfs/dbraw/zinc/98/96/50/424989650.db2.gz YVBPLSLQLOFKKP-MLGOLLRUSA-N 1 0 313.430 2.905 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096318 267378896 /nfs/dbraw/zinc/37/88/96/267378896.db2.gz GVNPVVKNSYWIOP-RHSMWYFYSA-N 1 0 314.433 2.159 10 30 DEEERO Cc1ccc(C[C@H](CO)[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000188989240 267686631 /nfs/dbraw/zinc/68/66/31/267686631.db2.gz NHYSZUCDAFJCEC-QGZVFWFLSA-N 1 0 320.396 2.208 10 30 DEEERO N#Cc1cccc(OCCC[N@H+]2CCSC[C@@H]2CCO)c1 ZINC000357317899 268273402 /nfs/dbraw/zinc/27/34/02/268273402.db2.gz QYDFAUBCYMFSTM-HNNXBMFYSA-N 1 0 306.431 2.127 10 30 DEEERO C[NH+]=C(NCc1cccc(N(C)C)n1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000156070785 275408483 /nfs/dbraw/zinc/40/84/83/275408483.db2.gz QIRUVOWRVNCZHA-GJZGRUSLSA-N 1 0 315.465 2.345 10 30 DEEERO CC(C)(CNC(=O)N1CCC(C)(C#N)CC1)C[NH+]1CCCC1 ZINC000358750017 277300366 /nfs/dbraw/zinc/30/03/66/277300366.db2.gz LKQKEVHFEWONPZ-UHFFFAOYSA-N 1 0 306.454 2.444 10 30 DEEERO C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262241045 277749265 /nfs/dbraw/zinc/74/92/65/277749265.db2.gz NZZVHYZTSWJVKI-RRFJBIMHSA-N 1 0 322.497 2.425 10 30 DEEERO C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000117767717 278547510 /nfs/dbraw/zinc/54/75/10/278547510.db2.gz RMKDAPAVXWILPM-YOEHRIQHSA-N 1 0 315.417 2.245 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000175336814 279327078 /nfs/dbraw/zinc/32/70/78/279327078.db2.gz RDUUMNWSYCTBOU-INIZCTEOSA-N 1 0 320.481 2.087 10 30 DEEERO C[C@H](Cn1cccn1)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000329396291 279385638 /nfs/dbraw/zinc/38/56/38/279385638.db2.gz UKGYFSRQKVCMOS-HZPDHXFCSA-N 1 0 319.453 2.136 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH2+]CC ZINC000570940641 332907976 /nfs/dbraw/zinc/90/79/76/332907976.db2.gz DJSVXNAPOXTWSH-UHFFFAOYSA-N 1 0 320.393 2.292 10 30 DEEERO C=CCN1CC[C@@H]([N@@H+]2CCCN(c3ccc(C)cc3)CC2)C1=O ZINC000366895394 335317666 /nfs/dbraw/zinc/31/76/66/335317666.db2.gz XBFJWSSQGLRFHL-GOSISDBHSA-N 1 0 313.445 2.294 10 30 DEEERO C=CCCCCCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000565177474 341047134 /nfs/dbraw/zinc/04/71/34/341047134.db2.gz CWGMVCOAHPJMQR-INIZCTEOSA-N 1 0 310.486 2.058 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](OC(F)F)C2)CC1 ZINC000549470380 341295316 /nfs/dbraw/zinc/29/53/16/341295316.db2.gz FYTZGJIKDVERIT-ZDUSSCGKSA-N 1 0 317.380 2.050 10 30 DEEERO C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)Oc1cccc(Cl)c1 ZINC000262428487 534299097 /nfs/dbraw/zinc/29/90/97/534299097.db2.gz DFXKZWHNDPRZSY-VXGBXAGGSA-N 1 0 311.813 2.143 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]([NH3+])CC ZINC000418736349 526348509 /nfs/dbraw/zinc/34/85/09/526348509.db2.gz UNGJSGUGVDERKH-ZDUSSCGKSA-N 1 0 306.366 2.030 10 30 DEEERO C[NH+]=C(NCC(C)(C)CC(C)C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261825699 526349119 /nfs/dbraw/zinc/34/91/19/526349119.db2.gz UYPHTXLECLWNQT-GOSISDBHSA-N 1 0 322.497 2.236 10 30 DEEERO C[NH+]=C(NCc1nc(C)no1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000261851397 526390579 /nfs/dbraw/zinc/39/05/79/526390579.db2.gz YBVGDCQPRUMMHN-QGZVFWFLSA-N 1 0 313.405 2.117 10 30 DEEERO C[NH+]=C(NCc1nccn1C)N1CC[C@](C)(c2ccccc2)C1 ZINC000261672687 526391498 /nfs/dbraw/zinc/39/14/98/526391498.db2.gz CGSFGYGWYYTUDO-SFHVURJKSA-N 1 0 311.433 2.159 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC000429304417 526607137 /nfs/dbraw/zinc/60/71/37/526607137.db2.gz FTMGZNXLHPXNHU-AWEZNQCLSA-N 1 0 303.406 2.136 10 30 DEEERO C=C(C)Cn1c(COCC)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000338806740 526730996 /nfs/dbraw/zinc/73/09/96/526730996.db2.gz HXSVBYKMBWMMSF-OAHLLOKOSA-N 1 0 319.453 2.065 10 30 DEEERO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC=C)C2=O)cc1 ZINC000337125231 526863987 /nfs/dbraw/zinc/86/39/87/526863987.db2.gz DULHCMDLVFEUHU-KRWDZBQOSA-N 1 0 300.402 2.470 10 30 DEEERO C=CCOc1ccccc1C[NH2+]Cc1cnn(CCOC)c1 ZINC000337248867 526950625 /nfs/dbraw/zinc/95/06/25/526950625.db2.gz JAWLFNOJSBECPK-UHFFFAOYSA-N 1 0 301.390 2.384 10 30 DEEERO C=CC[C@@H](CC)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000341388845 527040737 /nfs/dbraw/zinc/04/07/37/527040737.db2.gz WUUJLZHQGHFPAL-IAGOWNOFSA-N 1 0 322.497 2.153 10 30 DEEERO C=CCC1(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCC1 ZINC000191455671 527045183 /nfs/dbraw/zinc/04/51/83/527045183.db2.gz GGHASMTZLHUIPN-KRWDZBQOSA-N 1 0 319.493 2.361 10 30 DEEERO C=CC[C@@H](CO)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000189092239 527085637 /nfs/dbraw/zinc/08/56/37/527085637.db2.gz BWDSWDVWTQILCB-KRWDZBQOSA-N 1 0 316.445 2.342 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(Br)cc1OC ZINC000184288166 527101493 /nfs/dbraw/zinc/10/14/93/527101493.db2.gz XBGQKADSUGJJQI-LBPRGKRZSA-N 1 0 300.196 2.484 10 30 DEEERO CC(=O)[C@](C)(O)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000331349045 527152211 /nfs/dbraw/zinc/15/22/11/527152211.db2.gz XNDNCFKVZAFXKV-GOSISDBHSA-N 1 0 318.417 2.104 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418363062 527195996 /nfs/dbraw/zinc/19/59/96/527195996.db2.gz VQCLLIRLBIPVSP-CVEARBPZSA-N 1 0 305.422 2.046 10 30 DEEERO C=CCCc1ccccc1NC(=O)CN1CC[NH+](CC)CC1 ZINC000337529009 527504922 /nfs/dbraw/zinc/50/49/22/527504922.db2.gz ZHFCDDVYBWPMON-UHFFFAOYSA-N 1 0 301.434 2.381 10 30 DEEERO CC[NH+]=C(NCC1CCCCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261832868 528803255 /nfs/dbraw/zinc/80/32/55/528803255.db2.gz VROMGEAUGOTVOC-SFHVURJKSA-N 1 0 320.481 2.134 10 30 DEEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCC[C@@H]1C#N ZINC000262455497 528820322 /nfs/dbraw/zinc/82/03/22/528820322.db2.gz WSHVRVBPKQMVJI-KHMAMNHCSA-N 1 0 304.438 2.047 10 30 DEEERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C#Cc1ccccc1 ZINC000176082464 624619432 /nfs/dbraw/zinc/61/94/32/624619432.db2.gz DVFOBOXLXKJOSM-LJQANCHMSA-N 1 0 306.409 2.327 10 30 DEEERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C#Cc1ccccc1 ZINC000176082481 624619492 /nfs/dbraw/zinc/61/94/92/624619492.db2.gz DVFOBOXLXKJOSM-IBGZPJMESA-N 1 0 306.409 2.327 10 30 DEEERO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2noc(C)n2)c1 ZINC000178577757 635943551 /nfs/dbraw/zinc/94/35/51/635943551.db2.gz LXUNTCGLRMPJFV-UHFFFAOYSA-N 1 0 319.365 2.102 10 30 DEEERO C=CC[C@@H](CO)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000321043348 636298753 /nfs/dbraw/zinc/29/87/53/636298753.db2.gz TXSFRSFLBDIVBC-QWHCGFSZSA-N 1 0 300.196 2.009 10 30 DEEERO C[NH+]=C(NCc1cccc(OC)n1)N(C)Cc1ccc(F)cc1 ZINC000073782843 636473846 /nfs/dbraw/zinc/47/38/46/636473846.db2.gz LWZQLPRBSWCDGL-UHFFFAOYSA-N 1 0 316.380 2.437 10 30 DEEERO C[NH+]=C(NCc1noc(C)n1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262439734 639160071 /nfs/dbraw/zinc/16/00/71/639160071.db2.gz ANNBKGHBDPQCCC-BFHYXJOUSA-N 1 0 305.426 2.402 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000805183227 640086930 /nfs/dbraw/zinc/08/69/30/640086930.db2.gz CJCURSRYFKUGGY-ZWKOTPCHSA-N 1 0 313.445 2.262 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccc(C#N)cc1F ZINC000729821765 640845944 /nfs/dbraw/zinc/84/59/44/640845944.db2.gz VBQSROCWAIYXKX-AWEZNQCLSA-N 1 0 320.437 2.146 10 30 DEEERO C=C(Br)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000069245496 648566452 /nfs/dbraw/zinc/56/64/52/648566452.db2.gz LDEYFUQKXOEFKJ-LLVKDONJSA-N 1 0 306.248 2.171 10 30 DEEERO Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000131196162 684197506 /nfs/dbraw/zinc/19/75/06/684197506.db2.gz VSXRVCXXFMMQBE-QGZVFWFLSA-N 1 0 324.432 2.109 10 30 DEEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)C[C@H]1CCCO1 ZINC000131186612 684197537 /nfs/dbraw/zinc/19/75/37/684197537.db2.gz JVILKJTYAJBGIG-MRXNPFEDSA-N 1 0 311.389 2.194 10 30 DEEERO [NH2+]=C(NCc1ccccc1OC(F)(F)F)NC[C@@H]1CCCO1 ZINC000303261662 685231069 /nfs/dbraw/zinc/23/10/69/685231069.db2.gz ORRLXDSSTDUILU-NSHDSACASA-N 1 0 317.311 2.169 10 30 DEEERO [NH2+]=C(NCCOc1cccc(F)c1)NCCc1cccs1 ZINC000303882704 685237429 /nfs/dbraw/zinc/23/74/29/685237429.db2.gz IICCEURJYBMNAN-UHFFFAOYSA-N 1 0 307.394 2.413 10 30 DEEERO Cc1cccc2[nH]cc(CCNC(=[NH2+])NC[C@H]3CCCO3)c21 ZINC000303987831 685241951 /nfs/dbraw/zinc/24/19/51/685241951.db2.gz VWZXEWMEHSNPPZ-CQSZACIVSA-N 1 0 300.406 2.102 10 30 DEEERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NCc2cccc(C#N)c2F)C1 ZINC000886082542 692000319 /nfs/dbraw/zinc/00/03/19/692000319.db2.gz MTMVLOWHZUVUNE-ZACQAIPSSA-N 1 0 317.408 2.429 10 30 DEEERO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N+]12CCN(CC1)CC2 ZINC000022308273 717113657 /nfs/dbraw/zinc/11/36/57/717113657.db2.gz WZKPXNILCHPHMZ-OAHLLOKOSA-O 1 0 310.421 2.313 10 30 DEEERO C[C@@H](NC(=O)[C@H](C)[N+]12CCN(CC1)CC2)c1ccc(Cl)cc1 ZINC000029227873 717117825 /nfs/dbraw/zinc/11/78/25/717117825.db2.gz CCRKVFYYQCUVDL-KGLIPLIRSA-O 1 0 322.860 2.052 10 30 DEEERO C[C@H](NC(=O)[C@H](C)[N+]12CCN(CC1)CC2)c1ccc(Cl)cc1 ZINC000029227879 717117828 /nfs/dbraw/zinc/11/78/28/717117828.db2.gz CCRKVFYYQCUVDL-KBPBESRZSA-O 1 0 322.860 2.052 10 30 DEEERO Cc1cc(C(=O)C[N+]23CCN(CC2)CC3)c(C)n1CCC(C)C ZINC000057938671 717130467 /nfs/dbraw/zinc/13/04/67/717130467.db2.gz AXNHXNUJQQWHFF-UHFFFAOYSA-N 1 0 318.485 2.480 10 30 DEEERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746927405 786550067 /nfs/dbraw/zinc/55/00/67/786550067.db2.gz VKHKVTGVIILOET-OAHLLOKOSA-N 1 0 301.390 2.057 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000716858339 793005297 /nfs/dbraw/zinc/00/52/97/793005297.db2.gz XVQRHDHJDFWJJW-RBSFLKMASA-N 1 0 310.438 2.450 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000716830285 793007943 /nfs/dbraw/zinc/00/79/43/793007943.db2.gz VGPSPTNSSXCWCW-FZKCQIBNSA-N 1 0 322.449 2.402 10 30 DEEERO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CO1 ZINC000703346830 1086493355 /nfs/dbraw/zinc/49/33/55/1086493355.db2.gz RPWUEVNWGFXPIF-AWEZNQCLSA-N 1 0 303.362 2.199 10 30 DEEERO C=CCN(C)S(=O)(=O)c1ccc(Cl)c(C[NH2+]C2CC2)c1 ZINC000162566344 197575496 /nfs/dbraw/zinc/57/54/96/197575496.db2.gz BPLIFKGKXBHEHL-UHFFFAOYSA-N 1 0 314.838 2.399 10 30 DEEERO C=C(C)COCC[NH2+]CCOCCOCCOCCCC ZINC000163774741 197648990 /nfs/dbraw/zinc/64/89/90/197648990.db2.gz OVKZAGLVFHLTKV-UHFFFAOYSA-N 1 0 303.443 2.019 10 30 DEEERO Cc1nc(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)cs1 ZINC000087428876 185224572 /nfs/dbraw/zinc/22/45/72/185224572.db2.gz GCHLWMMHTDFMPB-UHFFFAOYSA-N 1 0 304.400 2.283 10 30 DEEERO CC(C)C[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)[NH+](C)C ZINC000103339825 185447290 /nfs/dbraw/zinc/44/72/90/185447290.db2.gz CZYXYEZZRVUMQW-ZBFHGGJFSA-N 1 0 317.433 2.418 10 30 DEEERO C=CCCOCCCCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000615269432 362572501 /nfs/dbraw/zinc/57/25/01/362572501.db2.gz LEVQNAIVSZRDOI-IAGOWNOFSA-N 1 0 324.465 2.071 10 30 DEEERO C=CC[C@H]1CCN(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000625896290 365947178 /nfs/dbraw/zinc/94/71/78/365947178.db2.gz AKGUGJITPPSVLS-GXTWGEPZSA-N 1 0 300.406 2.328 10 30 DEEERO CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H](C)C#N)CC1 ZINC000084059702 192398108 /nfs/dbraw/zinc/39/81/08/192398108.db2.gz HGFUBXYVFSQADD-AWEZNQCLSA-N 1 0 315.421 2.110 10 30 DEEERO Cc1c(C#CC[NH3+])cccc1C(=O)N1CCS[C@@H](C)[C@H]1C ZINC000133669395 186005564 /nfs/dbraw/zinc/00/55/64/186005564.db2.gz WTQJNFZPSBJUKO-KGLIPLIRSA-N 1 0 302.443 2.271 10 30 DEEERO C[C@H]1C[NH2+]C[C@H](COc2ccc(C(F)(F)F)c(C#N)c2)O1 ZINC000133839663 186013606 /nfs/dbraw/zinc/01/36/06/186013606.db2.gz KMLLVDOOVUFTGQ-JOYOIKCWSA-N 1 0 300.280 2.333 10 30 DEEERO C=CCN(CC)S(=O)(=O)c1cc(C[NH2+]CC)cc(F)c1F ZINC000139257773 186020959 /nfs/dbraw/zinc/02/09/59/186020959.db2.gz YQAOHGDSVAICKS-UHFFFAOYSA-N 1 0 318.389 2.271 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000186032252 186233226 /nfs/dbraw/zinc/23/32/26/186233226.db2.gz AGOPHDHIVUBKHR-QAPCUYQASA-N 1 0 316.445 2.472 10 30 DEEERO C=C[C@H](CC(=O)N1CC[NH+]([C@H](CC)CO)CC1)c1ccccc1 ZINC000270468421 186399603 /nfs/dbraw/zinc/39/96/03/186399603.db2.gz HDFBSQPVBUBLOP-SJLPKXTDSA-N 1 0 316.445 2.261 10 30 DEEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000333468084 539960340 /nfs/dbraw/zinc/96/03/40/539960340.db2.gz DAFUUQACDIQXOL-DYVFJYSZSA-N 1 0 323.444 3.036 10 30 DEEERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000027768720 354095465 /nfs/dbraw/zinc/09/54/65/354095465.db2.gz BKXKTAPGLVSZRO-HUUCEWRRSA-N 1 0 315.417 2.316 10 30 DEEERO C=CCCC[C@H](C)[NH+]1CCC(C(=O)NCC(=O)OCC)CC1 ZINC000091631852 355603744 /nfs/dbraw/zinc/60/37/44/355603744.db2.gz KWOCZIBXKBNVFK-AWEZNQCLSA-N 1 0 310.438 2.123 10 30 DEEERO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182276940 356118373 /nfs/dbraw/zinc/11/83/73/356118373.db2.gz LOEOSCPGJWGUSF-SJKOYZFVSA-N 1 0 317.389 2.120 10 30 DEEERO N#Cc1cc(Br)cnc1N[C@H](CC[NH3+])C(F)F ZINC000383357841 356679366 /nfs/dbraw/zinc/67/93/66/356679366.db2.gz CPMKVLSXQWVMSM-MRVPVSSYSA-N 1 0 305.126 2.110 10 30 DEEERO C=C[C@@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000379617797 356668380 /nfs/dbraw/zinc/66/83/80/356668380.db2.gz NOYFYMWMESRLOL-DLBZAZTESA-N 1 0 302.418 2.358 10 30 DEEERO C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)C1 ZINC000626844828 366344701 /nfs/dbraw/zinc/34/47/01/366344701.db2.gz UCOAANLQLGWQCV-AWEZNQCLSA-N 1 0 315.417 2.159 10 30 DEEERO CCO[C@@H]1CN(c2ccc(C#N)cc2Br)C[C@H]1C[NH3+] ZINC000405386709 356734857 /nfs/dbraw/zinc/73/48/57/356734857.db2.gz PVHIDLHFYPDASL-BXUZGUMPSA-N 1 0 324.222 2.121 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CC)c1ccccc1F ZINC000594019624 358190965 /nfs/dbraw/zinc/19/09/65/358190965.db2.gz PTTBCCGDVPSMAD-SMDDNHRTSA-N 1 0 307.369 2.267 10 30 DEEERO C=CCCC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000594718268 358324747 /nfs/dbraw/zinc/32/47/47/358324747.db2.gz MQOCIQAVIAYLGB-HNNXBMFYSA-N 1 0 322.409 2.268 10 30 DEEERO C=CC[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599530421 359517794 /nfs/dbraw/zinc/51/77/94/359517794.db2.gz WZTLNWZEPNIBEH-KBPBESRZSA-N 1 0 306.362 2.233 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000187899367 200172935 /nfs/dbraw/zinc/17/29/35/200172935.db2.gz RGQRZMUJNNWVAU-RDTXWAMCSA-N 1 0 318.417 2.429 10 30 DEEERO C=C(C)C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)OC ZINC000601781941 360146690 /nfs/dbraw/zinc/14/66/90/360146690.db2.gz MNXJTYZIGZNMIS-HOCLYGCPSA-N 1 0 322.449 2.265 10 30 DEEERO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1C ZINC000611225527 361554051 /nfs/dbraw/zinc/55/40/51/361554051.db2.gz UZYPGBOVEDQNBL-STQMWFEESA-N 1 0 318.396 2.321 10 30 DEEERO C[C@H](NC(=O)NCc1ccc(C#N)cc1F)C1=CC[N@H+](C)CC1 ZINC000611581488 361639876 /nfs/dbraw/zinc/63/98/76/361639876.db2.gz JYZUKQPHPDGNPA-LBPRGKRZSA-N 1 0 316.380 2.147 10 30 DEEERO C=CCCC(C)(C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000620857903 364181250 /nfs/dbraw/zinc/18/12/50/364181250.db2.gz NSQNVFNRLOCAPS-UHFFFAOYSA-N 1 0 316.449 2.308 10 30 DEEERO C=CCCCC[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621382126 364384776 /nfs/dbraw/zinc/38/47/76/364384776.db2.gz KHKJNOCFIAMFLV-UHFFFAOYSA-N 1 0 305.397 2.403 10 30 DEEERO C=CC[C@@]1(C(=O)N(C)Cc2c(C)cc(C)nc2OC)CCC[NH2+]1 ZINC000621683534 364505026 /nfs/dbraw/zinc/50/50/26/364505026.db2.gz XGYYTGWRGUHMJM-SFHVURJKSA-N 1 0 317.433 2.364 10 30 DEEERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000275402642 212311916 /nfs/dbraw/zinc/31/19/16/212311916.db2.gz COZHHMULTBJOFT-BLLLJJGKSA-N 1 0 300.362 2.235 10 30 DEEERO N#CC1(S(=O)(=O)c2cc(Cl)ccc2Cl)CC[NH2+]CC1 ZINC000091472122 193061760 /nfs/dbraw/zinc/06/17/60/193061760.db2.gz QFFBWPMMMGRHGB-UHFFFAOYSA-N 1 0 319.213 2.413 10 30 DEEERO C=CC(C)(C)CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624382525 365403609 /nfs/dbraw/zinc/40/36/09/365403609.db2.gz FLQARKFGPZLPSC-HNNXBMFYSA-N 1 0 309.454 2.141 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000624465444 365431468 /nfs/dbraw/zinc/43/14/68/365431468.db2.gz QIDUWKLKOMYAER-UHFFFAOYSA-N 1 0 309.454 2.095 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(CC[N@@H+](C)Cc2ccccc2)C1=O ZINC000630967674 367941755 /nfs/dbraw/zinc/94/17/55/367941755.db2.gz NGNCQKDYISUIGQ-HNNXBMFYSA-N 1 0 301.390 2.005 10 30 DEEERO CN(C)c1nnc(SCc2cc(F)cc(C#CC[NH3+])c2)s1 ZINC000093994288 193336757 /nfs/dbraw/zinc/33/67/57/193336757.db2.gz CFDAVTHYYXRWFT-UHFFFAOYSA-N 1 0 322.434 2.346 10 30 DEEERO [NH3+]CC#Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000093975885 193333362 /nfs/dbraw/zinc/33/33/62/193333362.db2.gz QQBUSURPGHJPOS-UHFFFAOYSA-N 1 0 301.327 2.219 10 30 DEEERO CCCCS(=O)(=O)Nc1ccc(Cl)c(C#CC[NH3+])c1 ZINC000094671785 193391645 /nfs/dbraw/zinc/39/16/45/193391645.db2.gz IMRYLZCLPWTOMQ-UHFFFAOYSA-N 1 0 300.811 2.192 10 30 DEEERO Cc1nnsc1C(=O)Nc1ccc(Cl)c(C#CC[NH3+])c1 ZINC000094671601 193391871 /nfs/dbraw/zinc/39/18/71/193391871.db2.gz UDPSTUIMPNLXOL-UHFFFAOYSA-N 1 0 306.778 2.062 10 30 DEEERO [NH3+]CC#Cc1ccc(O[C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000094408519 193367755 /nfs/dbraw/zinc/36/77/55/193367755.db2.gz DZLWFNUNJNZLIH-DLBZAZTESA-N 1 0 303.427 2.430 10 30 DEEERO Cc1cc(C(=O)NCc2ccc(F)cc2)sc1C#CC[NH3+] ZINC000094536120 193377427 /nfs/dbraw/zinc/37/74/27/193377427.db2.gz KSDMDIZVVHMFIT-UHFFFAOYSA-N 1 0 302.374 2.436 10 30 DEEERO C#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000266358885 205290720 /nfs/dbraw/zinc/29/07/20/205290720.db2.gz DBJLPLOBZCQCRK-ZDUSSCGKSA-N 1 0 305.353 2.053 10 30 DEEERO CC[C@H]1CN(Cc2cc(C#N)ccc2OC)CC[N@@H+]1CCOC ZINC000159928020 197374069 /nfs/dbraw/zinc/37/40/69/197374069.db2.gz XIVMDNNTIOHZOH-KRWDZBQOSA-N 1 0 317.433 2.109 10 30 DEEERO N#C[C@H](c1ccc(Br)cc1F)N1CCC[NH2+]CC1 ZINC000037940597 182940412 /nfs/dbraw/zinc/94/04/12/182940412.db2.gz NLSKOUZDCOIVTI-CYBMUJFWSA-N 1 0 312.186 2.448 10 30 DEEERO N#C[C@@H](c1cc(Br)cs1)N1CCC[NH2+]CC1 ZINC000041677611 183215219 /nfs/dbraw/zinc/21/52/19/183215219.db2.gz CLTOWILVSIOUDP-JTQLQIEISA-N 1 0 300.225 2.371 10 30 DEEERO CN(Cc1cc(C#CC[NH3+])cs1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000042400610 183264623 /nfs/dbraw/zinc/26/46/23/183264623.db2.gz JSKSIFJBXRITJW-JGGQBBKZSA-N 1 0 302.443 2.453 10 30 DEEERO CCCO[C@@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])s2)C1 ZINC000042426649 183269317 /nfs/dbraw/zinc/26/93/17/183269317.db2.gz HWFBASJRKPNRMA-CYBMUJFWSA-N 1 0 306.431 2.090 10 30 DEEERO CCN(C[C@H](C)C#N)S(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000042448370 183272118 /nfs/dbraw/zinc/27/21/18/183272118.db2.gz UPHMZQHYSSJJCS-CHWSQXEVSA-N 1 0 309.435 2.137 10 30 DEEERO CC(C)CN(C(C)C)S(=O)(=O)c1cccc(C#CC[NH3+])c1 ZINC000042598235 183289867 /nfs/dbraw/zinc/28/98/67/183289867.db2.gz CYSLQNGBVABTEH-UHFFFAOYSA-N 1 0 308.447 2.052 10 30 DEEERO CC[C@@H]1CN(Cc2cc(C#N)ccc2F)CC[N@@H+]1CCOC ZINC000106114737 194186802 /nfs/dbraw/zinc/18/68/02/194186802.db2.gz CMYRMKXMMBARNT-MRXNPFEDSA-N 1 0 305.397 2.240 10 30 DEEERO N#Cc1cnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cn1 ZINC000106463515 194217949 /nfs/dbraw/zinc/21/79/49/194217949.db2.gz MTGSMQIRXUAUJB-UHFFFAOYSA-N 1 0 311.364 2.200 10 30 DEEERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(C#N)s2)CC1 ZINC000120056000 195088969 /nfs/dbraw/zinc/08/89/69/195088969.db2.gz HZNQMUICJFQAKY-HNNXBMFYSA-N 1 0 318.490 2.222 10 30 DEEERO C=C(C)CN1CCC([NH2+]Cc2cnc3nc(C)cc(C)n23)CC1 ZINC000156598294 197126090 /nfs/dbraw/zinc/12/60/90/197126090.db2.gz ZEBXVMUXGSVKCY-UHFFFAOYSA-N 1 0 313.449 2.476 10 30 DEEERO COc1ccc(C#CC[NH3+])cc1NC(=O)[C@@H]1CCCCS1 ZINC000156281140 197101085 /nfs/dbraw/zinc/10/10/85/197101085.db2.gz FJBAGELDKXOTPH-HNNXBMFYSA-N 1 0 304.415 2.230 10 30 DEEERO C=C[C@H](CC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000155311983 197042487 /nfs/dbraw/zinc/04/24/87/197042487.db2.gz NCVOBHLAPWUUMV-MRXNPFEDSA-N 1 0 316.445 2.261 10 30 DEEERO COc1cc(Br)ccc1CNC1=[NH+]CCCN1C ZINC000263213948 533489788 /nfs/dbraw/zinc/48/97/88/533489788.db2.gz ZNFUAUOQTLYBLN-UHFFFAOYSA-N 1 0 312.211 2.239 10 30 DEEERO Cn1ccnc1[C@H]1CCCN(C(=O)c2sccc2C#N)C1 ZINC000373070908 133376597 /nfs/dbraw/zinc/37/65/97/133376597.db2.gz PVWHIXHGTFLANT-LBPRGKRZSA-N 1 0 300.387 2.373 10 30 DEEERO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc(C#N)c(F)c3)CC2)CCO1 ZINC000191957700 145067867 /nfs/dbraw/zinc/06/78/67/145067867.db2.gz XPJKLSMKBIFENN-CQSZACIVSA-N 1 0 317.408 2.382 10 30 DEEERO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246898946 145118374 /nfs/dbraw/zinc/11/83/74/145118374.db2.gz VNQRTSQOCBADSN-UKPHBRMFSA-N 1 0 313.401 2.386 10 30 DEEERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1C ZINC000251899682 145196741 /nfs/dbraw/zinc/19/67/41/145196741.db2.gz QWMVERKQGMWDRJ-XJKSGUPXSA-N 1 0 301.390 2.244 10 30 DEEERO COc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358465972 147139546 /nfs/dbraw/zinc/13/95/46/147139546.db2.gz WWEMPQOAHBMNRT-UHFFFAOYSA-N 1 0 314.389 2.340 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000073990890 401727535 /nfs/dbraw/zinc/72/75/35/401727535.db2.gz SAYHJFHGBFDYOM-BMFZPTHFSA-N 1 0 313.401 2.021 10 30 DEEERO C=CCCC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000076733859 401799603 /nfs/dbraw/zinc/79/96/03/401799603.db2.gz WUZBISBMCFZVDY-UHFFFAOYSA-N 1 0 303.362 2.382 10 30 DEEERO COc1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)cc1C#N ZINC000135047846 401924893 /nfs/dbraw/zinc/92/48/93/401924893.db2.gz GTAINNKIAWAGIN-UHFFFAOYSA-N 1 0 323.400 2.433 10 30 DEEERO C#CCOc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151278301 402027437 /nfs/dbraw/zinc/02/74/37/402027437.db2.gz UJWWFEIZLGKCLA-WMZOPIPTSA-N 1 0 316.445 2.196 10 30 DEEERO C[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)N1CCC[C@@H](C)C1 ZINC000123298232 402120228 /nfs/dbraw/zinc/12/02/28/402120228.db2.gz MWROTCXDSONHJC-CABCVRRESA-N 1 0 311.433 2.416 10 30 DEEERO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)CCN1C ZINC000123071547 402109122 /nfs/dbraw/zinc/10/91/22/402109122.db2.gz FYPCRUCEUBDDAT-JSGCOSHPSA-N 1 0 320.462 2.363 10 30 DEEERO CC(C)N(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000151904061 402064772 /nfs/dbraw/zinc/06/47/72/402064772.db2.gz UPBYMMCFWLXEAO-AWEZNQCLSA-N 1 0 303.406 2.124 10 30 DEEERO C[N@@H+]1CCO[C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]21 ZINC000153182208 402131585 /nfs/dbraw/zinc/13/15/85/402131585.db2.gz DDGBRGHAZBRTQY-KBPBESRZSA-N 1 0 311.307 2.096 10 30 DEEERO CC[C@H](O)C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000153988068 402185521 /nfs/dbraw/zinc/18/55/21/402185521.db2.gz FWDUHNAPHLUDST-KRWDZBQOSA-N 1 0 306.837 2.080 10 30 DEEERO N#Cc1cc(F)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000154828604 402234900 /nfs/dbraw/zinc/23/49/00/402234900.db2.gz YJHMZZHUBFOXED-AWEZNQCLSA-N 1 0 302.353 2.399 10 30 DEEERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1F ZINC000070787896 402264812 /nfs/dbraw/zinc/26/48/12/402264812.db2.gz UCTAHEWFCDQNCH-RYUDHWBXSA-N 1 0 307.369 2.245 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(C)n2)CC1 ZINC000106264227 402212529 /nfs/dbraw/zinc/21/25/29/402212529.db2.gz AEQBBPZUCGPDPS-UHFFFAOYSA-N 1 0 302.422 2.230 10 30 DEEERO C=CCCCN(C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000156390514 402281973 /nfs/dbraw/zinc/28/19/73/402281973.db2.gz DBOQFLJVTBTSSS-IAGOWNOFSA-N 1 0 323.481 2.362 10 30 DEEERO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000185669570 402368384 /nfs/dbraw/zinc/36/83/84/402368384.db2.gz POVQWWWNEOGJFJ-XJKSGUPXSA-N 1 0 306.431 2.452 10 30 DEEERO CC[N@@H+]1CC[C@H](Nc2cnn(-c3ncccc3C#N)c2)[C@H](C)C1 ZINC000186023756 402397018 /nfs/dbraw/zinc/39/70/18/402397018.db2.gz ZYNFGLCFQZDDCX-CJNGLKHVSA-N 1 0 310.405 2.281 10 30 DEEERO C=CC[C@H](CO)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000186199585 402409675 /nfs/dbraw/zinc/40/96/75/402409675.db2.gz PPQAREVXKGRIAF-GOEBONIOSA-N 1 0 319.449 2.352 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179014098 402564458 /nfs/dbraw/zinc/56/44/58/402564458.db2.gz YDDSNHBMNDILRR-DOTOQJQBSA-N 1 0 308.385 2.072 10 30 DEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000180840827 402627560 /nfs/dbraw/zinc/62/75/60/402627560.db2.gz PIYTYVPLEJPKEW-IAGOWNOFSA-N 1 0 312.417 2.055 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000171716836 402613962 /nfs/dbraw/zinc/61/39/62/402613962.db2.gz LQXGXQOJAQEKSC-UHFFFAOYSA-N 1 0 303.362 2.283 10 30 DEEERO CC[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000181560296 402649891 /nfs/dbraw/zinc/64/98/91/402649891.db2.gz ZVZZBBPIPLLVLH-HNNXBMFYSA-N 1 0 318.377 2.398 10 30 DEEERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000191272437 402656457 /nfs/dbraw/zinc/65/64/57/402656457.db2.gz WFTVYKPLVFYKND-CHWSQXEVSA-N 1 0 301.390 2.121 10 30 DEEERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccnc(C#N)c2)C1 ZINC000192718670 402746012 /nfs/dbraw/zinc/74/60/12/402746012.db2.gz RLFDFYSMVFMLIY-OKILXGFUSA-N 1 0 300.406 2.051 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOc1ccc(C#N)cc1OC ZINC000175359296 402800135 /nfs/dbraw/zinc/80/01/35/402800135.db2.gz IFPDLKDLWHPJRG-MRXNPFEDSA-N 1 0 317.433 2.362 10 30 DEEERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175724862 402826547 /nfs/dbraw/zinc/82/65/47/402826547.db2.gz JMAGDBZRUOZNPI-TZMCWYRMSA-N 1 0 320.462 2.220 10 30 DEEERO C=CCNC(=O)NC(=O)CN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000175155174 402783756 /nfs/dbraw/zinc/78/37/56/402783756.db2.gz HYVWHAJASDTKSP-LRDDRELGSA-N 1 0 319.380 2.220 10 30 DEEERO C#CCC(CC#C)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000278472339 402866404 /nfs/dbraw/zinc/86/64/04/402866404.db2.gz WVZWYRGAIFDQDN-UHFFFAOYSA-N 1 0 302.443 2.301 10 30 DEEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000273479455 403008412 /nfs/dbraw/zinc/00/84/12/403008412.db2.gz UARIUEWHVQFUGX-ZFWWWQNUSA-N 1 0 300.406 2.472 10 30 DEEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282048646 403117288 /nfs/dbraw/zinc/11/72/88/403117288.db2.gz LYYCJGUAEMTIFZ-CABCVRRESA-N 1 0 316.449 2.090 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000284430488 403267757 /nfs/dbraw/zinc/26/77/57/403267757.db2.gz YNQVBZJYNVHXEN-MJGOQNOKSA-N 1 0 313.445 2.222 10 30 DEEERO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000284581281 403269822 /nfs/dbraw/zinc/26/98/22/403269822.db2.gz IJYQXULLNUOCRF-KURKYZTESA-N 1 0 300.402 2.310 10 30 DEEERO C=CCOCCCC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000346926190 403607326 /nfs/dbraw/zinc/60/73/26/403607326.db2.gz YJLRVGLDVMLXOD-KRWDZBQOSA-N 1 0 324.465 2.073 10 30 DEEERO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000347255962 403639104 /nfs/dbraw/zinc/63/91/04/403639104.db2.gz IBTGXKDSXMEPIT-XIRDDKMYSA-N 1 0 300.402 2.337 10 30 DEEERO C=CCOc1ccc(C[NH2+]C2(CC(N)=O)CCC2)cc1OC ZINC000361801806 403875333 /nfs/dbraw/zinc/87/53/33/403875333.db2.gz XNGATGMYCIHJRP-UHFFFAOYSA-N 1 0 304.390 2.148 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1cc[nH]n1)C(C)C ZINC000351725707 403881524 /nfs/dbraw/zinc/88/15/24/403881524.db2.gz UITTXQYSPSVUQG-INIZCTEOSA-N 1 0 319.453 2.250 10 30 DEEERO C=CCn1c(-c2ccccn2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000289854543 404003654 /nfs/dbraw/zinc/00/36/54/404003654.db2.gz YCWHEHGXBFLFIZ-GJZGRUSLSA-N 1 0 324.432 2.199 10 30 DEEERO C#Cc1ccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000296166862 404124335 /nfs/dbraw/zinc/12/43/35/404124335.db2.gz FNTMUAVSVKJEIW-UHFFFAOYSA-N 1 0 311.429 2.342 10 30 DEEERO C=CCN(Cc1ccccc1)S(=O)(=O)CC[NH+](CC)CC ZINC000352322611 404288332 /nfs/dbraw/zinc/28/83/32/404288332.db2.gz PVSHHPPPNIIWSI-UHFFFAOYSA-N 1 0 310.463 2.346 10 30 DEEERO O=C(N[C@@H]1CCCCC[C@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000329333582 404306180 /nfs/dbraw/zinc/30/61/80/404306180.db2.gz NOMLWGZADROXIK-BZUAXINKSA-N 1 0 310.438 2.280 10 30 DEEERO CCC[C@@]1(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCOC1 ZINC000329536075 404368660 /nfs/dbraw/zinc/36/86/60/404368660.db2.gz LTVJOTVUHYZMPW-UCMJJCQDSA-N 1 0 309.454 2.465 10 30 DEEERO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1 ZINC000351029574 404504806 /nfs/dbraw/zinc/50/48/06/404504806.db2.gz XOCDSXAFFUPHQN-QGZVFWFLSA-N 1 0 300.402 2.494 10 30 DEEERO C=CCn1c(C2CCC2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000351164419 404523431 /nfs/dbraw/zinc/52/34/31/404523431.db2.gz JZZQEJNAQPEJBQ-OAHLLOKOSA-N 1 0 301.438 2.405 10 30 DEEERO C=CCOc1ccccc1C[NH2+]CCN1CCOC(C)(C)C1 ZINC000356890210 404718052 /nfs/dbraw/zinc/71/80/52/404718052.db2.gz FVQHADWWGBAOIZ-UHFFFAOYSA-N 1 0 304.434 2.452 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCCCC[C@H]1C(=O)OC ZINC000451235971 404913854 /nfs/dbraw/zinc/91/38/54/404913854.db2.gz QOORGOVSRFVROV-CABCVRRESA-N 1 0 310.438 2.123 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415812821 404948901 /nfs/dbraw/zinc/94/89/01/404948901.db2.gz TUWWJUYGQPLFSO-STQMWFEESA-N 1 0 317.433 2.329 10 30 DEEERO Cc1cc(C#N)nc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000367464725 405058578 /nfs/dbraw/zinc/05/85/78/405058578.db2.gz IZOYGBDBRUHVHA-QGZVFWFLSA-N 1 0 307.401 2.367 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000424295203 405061404 /nfs/dbraw/zinc/06/14/04/405061404.db2.gz MKNXSRHQHJWBLO-DKKFBQAASA-N 1 0 315.461 2.473 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[N@H+]1C ZINC000354286782 405141092 /nfs/dbraw/zinc/14/10/92/405141092.db2.gz FJRLMDUJSOCVKZ-OAHLLOKOSA-N 1 0 303.362 2.204 10 30 DEEERO C=CCOCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000367852762 405173354 /nfs/dbraw/zinc/17/33/54/405173354.db2.gz GGISKSZZURCLQE-KRWDZBQOSA-N 1 0 302.418 2.217 10 30 DEEERO C=CC[C@]1(C(=O)N[C@H](C)c2ccc3[nH]c(=O)oc3c2)CCC[NH2+]1 ZINC000638992387 405804607 /nfs/dbraw/zinc/80/46/07/405804607.db2.gz ATDZMMQOWLOCQR-PIGZYNQJSA-N 1 0 315.373 2.409 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000594044804 405886025 /nfs/dbraw/zinc/88/60/25/405886025.db2.gz RSCPEWGSIZVWOO-MNOVXSKESA-N 1 0 317.380 2.190 10 30 DEEERO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(c3ccccc3)C2)C1=O ZINC000639132455 405911276 /nfs/dbraw/zinc/91/12/76/405911276.db2.gz OPTLKJSSISYXPN-AEFFLSMTSA-N 1 0 313.445 2.232 10 30 DEEERO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000565758225 406083419 /nfs/dbraw/zinc/08/34/19/406083419.db2.gz GQVCYWVSMLKFJE-QZWWFDLISA-N 1 0 315.417 2.075 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634704041 406234597 /nfs/dbraw/zinc/23/45/97/406234597.db2.gz FFZDHQGYQXSWAH-SJLPKXTDSA-N 1 0 305.418 2.253 10 30 DEEERO C=CCCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000569329741 406237730 /nfs/dbraw/zinc/23/77/30/406237730.db2.gz MVDYNEFTZGATNA-HOTGVXAUSA-N 1 0 309.454 2.020 10 30 DEEERO C=CCc1cc(CNC(=O)C2=CC[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000637966574 406499928 /nfs/dbraw/zinc/49/99/28/406499928.db2.gz AGTYKPTZVPBFHQ-OAHLLOKOSA-N 1 0 316.401 2.096 10 30 DEEERO N#Cc1csc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000548989103 406571531 /nfs/dbraw/zinc/57/15/31/406571531.db2.gz KILCTYHELNYYEQ-DZGCQCFKSA-N 1 0 306.431 2.277 10 30 DEEERO C=CCCCCCNC(=O)C(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000575331289 406807284 /nfs/dbraw/zinc/80/72/84/406807284.db2.gz PXDOUHDNMLNNKR-UHFFFAOYSA-N 1 0 321.465 2.006 10 30 DEEERO CN(C(=O)c1ccc(C#CC[NH3+])c(Cl)c1)[C@H]1CCSC1 ZINC000129022131 196011919 /nfs/dbraw/zinc/01/19/19/196011919.db2.gz LFJJHYJXPWZQHP-ZDUSSCGKSA-N 1 0 308.834 2.228 10 30 DEEERO C[C@@H]([NH3+])c1ccc(Br)cc1N1CCO[C@H](C#N)C1 ZINC000129023927 196013009 /nfs/dbraw/zinc/01/30/09/196013009.db2.gz AYHYKGLZTIFZNY-MWLCHTKSSA-N 1 0 310.195 2.198 10 30 DEEERO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)s1 ZINC000130991541 196129733 /nfs/dbraw/zinc/12/97/33/196129733.db2.gz JCFWLBYZCKACKZ-AWEZNQCLSA-N 1 0 305.447 2.306 10 30 DEEERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccc(C#N)cc1 ZINC000131615466 196184820 /nfs/dbraw/zinc/18/48/20/196184820.db2.gz MMLNSWOKUVXZRI-AWEZNQCLSA-N 1 0 318.380 2.446 10 30 DEEERO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000193290023 225157198 /nfs/dbraw/zinc/15/71/98/225157198.db2.gz MBUYBDTURCQJJJ-UKRRQHHQSA-N 1 0 318.396 2.229 10 30 DEEERO Cc1nn(-c2ccccc2)cc1CNC(=[NH2+])N1CCSCC1 ZINC000262164772 225265466 /nfs/dbraw/zinc/26/54/66/225265466.db2.gz CKKOGRXNRQAJBL-UHFFFAOYSA-N 1 0 315.446 2.044 10 30 DEEERO C[C@@H]1C[NH+]=C(NCc2cc(Oc3ccc(F)cc3)ccn2)N1 ZINC000262676718 225282219 /nfs/dbraw/zinc/28/22/19/225282219.db2.gz UHGKXQXDOAZANW-LLVKDONJSA-N 1 0 300.337 2.450 10 30 DEEERO C[C@H]1C[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC[NH2+]1 ZINC000333811913 226110780 /nfs/dbraw/zinc/11/07/80/226110780.db2.gz JMGCJFTVLHEYAR-SVGFKBNWSA-N 1 0 312.417 2.076 10 30 DEEERO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000407470394 424932992 /nfs/dbraw/zinc/93/29/92/424932992.db2.gz YRPBNUSZQQXPDY-HOTGVXAUSA-N 1 0 313.401 2.072 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000174533952 276169519 /nfs/dbraw/zinc/16/95/19/276169519.db2.gz BSDFVENJMAUECW-QGZVFWFLSA-N 1 0 314.433 2.303 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCCOC1)C(C)C ZINC000171597217 276891581 /nfs/dbraw/zinc/89/15/81/276891581.db2.gz FEGQWPSUCQXTTM-JKSUJKDBSA-N 1 0 309.454 2.163 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1COCC1(C)C)C(C)C ZINC000455480815 276891673 /nfs/dbraw/zinc/89/16/73/276891673.db2.gz CCDCJDOBKPLCSY-HZPDHXFCSA-N 1 0 323.481 2.409 10 30 DEEERO CC[NH+]=C(NC[C@]1(O)CCSC1)NC1CCC(CC)CC1 ZINC000262341875 278168612 /nfs/dbraw/zinc/16/86/12/278168612.db2.gz CSQQAGXGPQFEIE-ZBCRRDGASA-N 1 0 313.511 2.378 10 30 DEEERO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185203037 278259850 /nfs/dbraw/zinc/25/98/50/278259850.db2.gz OUMQIEDYNMBTKP-SFHVURJKSA-N 1 0 300.402 2.479 10 30 DEEERO CC1(C)C[N@H+](CCCC2(C#N)CCOCC2)C[C@]2(CCOC2)O1 ZINC000374068063 278331154 /nfs/dbraw/zinc/33/11/54/278331154.db2.gz LEVPPOXKFXUPGD-SFHVURJKSA-N 1 0 322.449 2.357 10 30 DEEERO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000442732459 279038536 /nfs/dbraw/zinc/03/85/36/279038536.db2.gz YMQOIGLEMTXNIG-UYSNPLJNSA-N 1 0 306.454 2.300 10 30 DEEERO C[NH+]1CCC(C#N)(NC(=O)c2cc(C3CCCCC3)n[nH]2)CC1 ZINC000559718046 332277431 /nfs/dbraw/zinc/27/74/31/332277431.db2.gz FJHKMEWHHFFZTJ-UHFFFAOYSA-N 1 0 315.421 2.175 10 30 DEEERO C[C@H]1CCC[N@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000188134551 333037636 /nfs/dbraw/zinc/03/76/36/333037636.db2.gz NVZRSYUVUFNRLO-HNNXBMFYSA-N 1 0 311.429 2.438 10 30 DEEERO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000245459280 341295523 /nfs/dbraw/zinc/29/55/23/341295523.db2.gz VGARGAQINVXVRD-DOTOQJQBSA-N 1 0 321.465 2.418 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246990926 341359580 /nfs/dbraw/zinc/35/95/80/341359580.db2.gz KEKXLSWBTOEVDF-HUUCEWRRSA-N 1 0 324.465 2.463 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCc3cc(N)ccc32)CC1 ZINC000566513683 341560515 /nfs/dbraw/zinc/56/05/15/341560515.db2.gz ZNBNUOZCYHVRHE-QGZVFWFLSA-N 1 0 314.433 2.206 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCc3cccc(O)c32)CC1 ZINC000576329233 341840607 /nfs/dbraw/zinc/84/06/07/341840607.db2.gz OCWQHYWOJZJGRF-OAHLLOKOSA-N 1 0 300.402 2.189 10 30 DEEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000411193082 526350309 /nfs/dbraw/zinc/35/03/09/526350309.db2.gz NKRKGYKCXLFZEP-UHFFFAOYSA-N 1 0 306.362 2.124 10 30 DEEERO C[NH+]=C(NCCN(C)CC(F)(F)F)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261616629 526355021 /nfs/dbraw/zinc/35/50/21/526355021.db2.gz AWWRQWBFJCIATO-BETUJISGSA-N 1 0 320.403 2.178 10 30 DEEERO C[NH+]=C(NC[C@H](c1ccco1)N1CCCC1)N[C@H]1CC1(C)C ZINC000263249628 526377745 /nfs/dbraw/zinc/37/77/45/526377745.db2.gz OLHLFUPZMPEKKE-HIFRSBDPSA-N 1 0 304.438 2.380 10 30 DEEERO C[NH+]=C(NCc1nccc2ccccc21)N(C)C[C@@H]1CCOC1 ZINC000261622004 526390418 /nfs/dbraw/zinc/39/04/18/526390418.db2.gz HZMBHNMBIUVNCY-AWEZNQCLSA-N 1 0 312.417 2.279 10 30 DEEERO C[NH+]=C(NCc1ccccn1)N[C@@H]1C[C@@]1(C)c1ccccc1OC ZINC000262488935 526414276 /nfs/dbraw/zinc/41/42/76/526414276.db2.gz LTBMATSFSYUEBJ-MJGOQNOKSA-N 1 0 324.428 2.485 10 30 DEEERO C[NH+]=C(NCc1ccnc(C)n1)N[C@@H](C)c1ccccc1OC ZINC000262588601 526415812 /nfs/dbraw/zinc/41/58/12/526415812.db2.gz UAKVEXNWZAKQDG-LBPRGKRZSA-N 1 0 313.405 2.220 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](C3CCC3)C2)CC1 ZINC000413248970 526586680 /nfs/dbraw/zinc/58/66/80/526586680.db2.gz YDHWUVCYXLSLIX-KRWDZBQOSA-N 1 0 321.465 2.237 10 30 DEEERO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000262625353 526618771 /nfs/dbraw/zinc/61/87/71/526618771.db2.gz PZAPINDKJPJBNK-VXGBXAGGSA-N 1 0 302.378 2.060 10 30 DEEERO C=CCOc1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000418169471 526881729 /nfs/dbraw/zinc/88/17/29/526881729.db2.gz PYQVMQSUFXNIII-CJNGLKHVSA-N 1 0 303.406 2.049 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000375174065 526939825 /nfs/dbraw/zinc/93/98/25/526939825.db2.gz MAXRWHRHZXPIQI-UHFFFAOYSA-N 1 0 315.417 2.241 10 30 DEEERO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000340944894 527249429 /nfs/dbraw/zinc/24/94/29/527249429.db2.gz WTMCAQJNNWCGAW-OAHLLOKOSA-N 1 0 324.465 2.465 10 30 DEEERO C=CCCC[C@H](C)[N@@H+](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000340944893 527273651 /nfs/dbraw/zinc/27/36/51/527273651.db2.gz WTMCAQJNNWCGAW-HNNXBMFYSA-N 1 0 324.465 2.465 10 30 DEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248179647 527635172 /nfs/dbraw/zinc/63/51/72/527635172.db2.gz WEKQMWXODVOKDX-XYJFISCASA-N 1 0 306.450 2.203 10 30 DEEERO CCO[C@@H]1C[C@H](NC(=[NH2+])NC2CCCCCC2)[C@@H]1n1cccn1 ZINC000263188997 527890822 /nfs/dbraw/zinc/89/08/22/527890822.db2.gz VHSPGKSSJILSIX-XHSDSOJGSA-N 1 0 319.453 2.229 10 30 DEEERO CC[N@@H+]1C[C@@H](C)N(C(=O)NCC2CCC(C#N)CC2)C[C@H]1C ZINC000441000872 527925546 /nfs/dbraw/zinc/92/55/46/527925546.db2.gz RBMNGNRMDDBIGQ-WXLSXGNJSA-N 1 0 306.454 2.440 10 30 DEEERO CC1=CCN(CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000262247176 528115133 /nfs/dbraw/zinc/11/51/33/528115133.db2.gz BFHDSXCLJZUEBZ-INIZCTEOSA-N 1 0 314.433 2.067 10 30 DEEERO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000336927776 528359383 /nfs/dbraw/zinc/35/93/83/528359383.db2.gz YKCFXXUTNDSNHK-JZXOWHBKSA-N 1 0 321.465 2.154 10 30 DEEERO CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000262020512 528813038 /nfs/dbraw/zinc/81/30/38/528813038.db2.gz YRJMPMIDEMJXGP-DZGCQCFKSA-N 1 0 323.412 2.166 10 30 DEEERO CC[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261994668 528819976 /nfs/dbraw/zinc/81/99/76/528819976.db2.gz SCNZYGAFEPXQOJ-UONOGXRCSA-N 1 0 302.422 2.299 10 30 DEEERO CC1(C#N)CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000444967497 528836425 /nfs/dbraw/zinc/83/64/25/528836425.db2.gz AJAUCYCQWFBHTE-UHFFFAOYSA-N 1 0 304.438 2.196 10 30 DEEERO CC1(C)CC[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)O1 ZINC000262430605 529018754 /nfs/dbraw/zinc/01/87/54/529018754.db2.gz JIBUQYGRXVYIIZ-GXTWGEPZSA-N 1 0 303.406 2.372 10 30 DEEERO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2C[NH2+]C[C@@H](C=O)C2)CC1 ZINC000675059417 563910316 /nfs/dbraw/zinc/91/03/16/563910316.db2.gz HRRZJNZYIHDQOL-SOUVJXGZSA-N 1 0 310.438 2.448 10 30 DEEERO C=CCS(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCCC1 ZINC000223423251 624715611 /nfs/dbraw/zinc/71/56/11/624715611.db2.gz OPWHWSMZTZWZPE-CQSZACIVSA-N 1 0 312.435 2.302 10 30 DEEERO CCc1cnc(CCNC(=[NH2+])NCc2ccccc2OC)s1 ZINC000178587645 625131929 /nfs/dbraw/zinc/13/19/29/625131929.db2.gz UWQGYOSYLWZNAL-UHFFFAOYSA-N 1 0 318.446 2.361 10 30 DEEERO C#CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000734133667 633339256 /nfs/dbraw/zinc/33/92/56/633339256.db2.gz HLVXPZBFPWTZGH-INIZCTEOSA-N 1 0 300.402 2.189 10 30 DEEERO C[NH+]=C(NCCNc1nc2ccccc2s1)N[C@@H]1C[C@@H]1C ZINC000083908626 633801561 /nfs/dbraw/zinc/80/15/61/633801561.db2.gz DDXINIRTHLMBHS-CMPLNLGQSA-N 1 0 303.435 2.282 10 30 DEEERO CCOc1ccc(OCC)c(NC(=[NH2+])NCC2(C)COC2)c1 ZINC000178575080 635940930 /nfs/dbraw/zinc/94/09/30/635940930.db2.gz DWILCGURLBEFOO-UHFFFAOYSA-N 1 0 307.394 2.247 10 30 DEEERO C=C(C)[C@H](CO)[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000752856559 639227173 /nfs/dbraw/zinc/22/71/73/639227173.db2.gz OVSOXTBJLCBBND-INIZCTEOSA-N 1 0 304.390 2.130 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000805187629 640123737 /nfs/dbraw/zinc/12/37/37/640123737.db2.gz RMYZWAVULCEQTC-KBAYOESNSA-N 1 0 313.445 2.403 10 30 DEEERO C#CC[N@H+]1CCC[C@@H]1COC(=O)Cc1ccc(OCC)cc1 ZINC000729809720 640843539 /nfs/dbraw/zinc/84/35/39/640843539.db2.gz OJMOQRXPOKRISC-MRXNPFEDSA-N 1 0 301.386 2.269 10 30 DEEERO C=C(C[NH+](C)C)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000804249384 645745691 /nfs/dbraw/zinc/74/56/91/645745691.db2.gz FBBWAQBVBUPVMY-UHFFFAOYSA-N 1 0 302.374 2.487 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000806855461 645879784 /nfs/dbraw/zinc/87/97/84/645879784.db2.gz MQODIPFOLYGZBG-ROUUACIJSA-N 1 0 313.445 2.405 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc2c1OCO2 ZINC000121362921 649041209 /nfs/dbraw/zinc/04/12/09/649041209.db2.gz VZLPCYCFOPCETQ-ZDUSSCGKSA-N 1 0 303.358 2.306 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])N2CCCCCC2)C12CCOCC2 ZINC000184644883 649332080 /nfs/dbraw/zinc/33/20/80/649332080.db2.gz CFRPBXANPMTZFM-HUUCEWRRSA-N 1 0 309.454 2.151 10 30 DEEERO C#CCCOc1ccc(C[N@H+]2CCCC[C@@H]2CC(N)=O)cc1 ZINC000092588773 684043925 /nfs/dbraw/zinc/04/39/25/684043925.db2.gz VFBKVPWJDIYDKP-MRXNPFEDSA-N 1 0 300.402 2.319 10 30 DEEERO C#CCOc1ccccc1C[NH+]1CCC(OCCCO)CC1 ZINC000093694691 684050622 /nfs/dbraw/zinc/05/06/22/684050622.db2.gz PLUIOJGHFMWHIU-UHFFFAOYSA-N 1 0 303.402 2.062 10 30 DEEERO CN(C)[C@@H](CNC(=[NH2+])NCCc1cccs1)c1ccccc1 ZINC000303693872 685232982 /nfs/dbraw/zinc/23/29/82/685232982.db2.gz CKWCCSOKUVOQID-INIZCTEOSA-N 1 0 316.474 2.498 10 30 DEEERO CC(C)C[C@@H](NC(=O)C[N+]12CCN(CC1)CC2)c1ccccc1 ZINC000029223289 717116786 /nfs/dbraw/zinc/11/67/86/717116786.db2.gz LVSWNVVWKRCETH-GOSISDBHSA-O 1 0 316.469 2.036 10 30 DEEERO C#CC[C@H](COC)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000714242538 792303944 /nfs/dbraw/zinc/30/39/44/792303944.db2.gz XLHDINSQDGFICY-LSDHHAIUSA-N 1 0 310.438 2.261 10 30 DEEERO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000715097394 792383217 /nfs/dbraw/zinc/38/32/17/792383217.db2.gz PUTRUCRRNWBSNM-XYPYZODXSA-N 1 0 322.434 2.408 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000716858115 793003832 /nfs/dbraw/zinc/00/38/32/793003832.db2.gz XGOIFAVICIYRBT-HUUCEWRRSA-N 1 0 310.438 2.404 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000716955213 797957573 /nfs/dbraw/zinc/95/75/73/797957573.db2.gz DMLMZRXAYCUWIV-KFWWJZLASA-N 1 0 322.449 2.450 10 30 DEEERO C=CCNC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000034668625 1078142472 /nfs/dbraw/zinc/14/24/72/1078142472.db2.gz PQKRDKPSHMLHKO-UHFFFAOYSA-N 1 0 307.825 2.154 10 30 DEEERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCC#N)CC2(CCOCC2)C1 ZINC000708048041 1086676206 /nfs/dbraw/zinc/67/62/06/1086676206.db2.gz DACQEKMRUYIEHB-AWEZNQCLSA-N 1 0 323.437 2.296 10 30 DEEERO C#CCC[C@@H](O)C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000717857047 1091324791 /nfs/dbraw/zinc/32/47/91/1091324791.db2.gz YXASJWHLUGYMML-CQSZACIVSA-N 1 0 312.454 2.386 10 30 DEEERO C=C[C@H](O)C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000612925462 361951982 /nfs/dbraw/zinc/95/19/82/361951982.db2.gz OJHZGWZMZDPCAO-KRWDZBQOSA-N 1 0 316.445 2.342 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1c(C)cc(Br)cc1OC ZINC000092474432 185320740 /nfs/dbraw/zinc/32/07/40/185320740.db2.gz UQMYNJNYXMENPM-UHFFFAOYSA-N 1 0 313.195 2.480 10 30 DEEERO C=CCC1(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)CCOCC1 ZINC000615605970 362655679 /nfs/dbraw/zinc/65/56/79/362655679.db2.gz MSUDXFKLMGWIBQ-QGZVFWFLSA-N 1 0 306.450 2.304 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)NCCOc2cccc(C)c2)C1 ZINC000625701731 365875175 /nfs/dbraw/zinc/87/51/75/365875175.db2.gz BZSZNDWUWAFAKH-MRXNPFEDSA-N 1 0 302.418 2.388 10 30 DEEERO Cc1cccc(C(=O)NCc2ccc(C#CC[NH3+])s2)c1O ZINC000071322861 190958514 /nfs/dbraw/zinc/95/85/14/190958514.db2.gz ZNTWDBSJNYNDQN-UHFFFAOYSA-N 1 0 300.383 2.002 10 30 DEEERO CC[NH+](CC)CCN1C(=O)c2ccc(N(C)C)cc2[C@H]1C#N ZINC000071679158 191006072 /nfs/dbraw/zinc/00/60/72/191006072.db2.gz GABLIUBYBQQNMX-MRXNPFEDSA-N 1 0 300.406 2.115 10 30 DEEERO Cc1c(C#CC[NH3+])cccc1C(=O)N1CCS[C@H](C)[C@H]1C ZINC000133669220 186005252 /nfs/dbraw/zinc/00/52/52/186005252.db2.gz WTQJNFZPSBJUKO-ZIAGYGMSSA-N 1 0 302.443 2.271 10 30 DEEERO C[C@H]1SCCN(C(=O)c2cc(C#CC[NH3+])ccc2F)[C@H]1C ZINC000133676719 186006088 /nfs/dbraw/zinc/00/60/88/186006088.db2.gz JCBJTLYAHLKEHU-NWDGAFQWSA-N 1 0 306.406 2.102 10 30 DEEERO C=CCOc1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000617413144 363125248 /nfs/dbraw/zinc/12/52/48/363125248.db2.gz DEEKAILBGIVCBX-AWEZNQCLSA-N 1 0 304.390 2.084 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@H](C)COCc2ccccc2)CC1 ZINC000172957595 198170798 /nfs/dbraw/zinc/17/07/98/198170798.db2.gz YWFXXTGAAIDPOJ-MRXNPFEDSA-N 1 0 314.429 2.053 10 30 DEEERO C[C@@H]1C[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329248918 539916427 /nfs/dbraw/zinc/91/64/27/539916427.db2.gz WWFHQURCYDAYEO-HLPPOEQASA-N 1 0 319.453 2.057 10 30 DEEERO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000173794661 198252850 /nfs/dbraw/zinc/25/28/50/198252850.db2.gz CHCNEMAMPUKNHC-XJKSGUPXSA-N 1 0 300.406 2.182 10 30 DEEERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc(C#N)ccc1F ZINC000073653241 191336608 /nfs/dbraw/zinc/33/66/08/191336608.db2.gz VNTIIMGTWAZQBC-GFCCVEGCSA-N 1 0 306.385 2.227 10 30 DEEERO C=CCCC[C@@H](C)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000091514101 355599936 /nfs/dbraw/zinc/59/99/36/355599936.db2.gz PXKYNSHECRYMFV-CQSZACIVSA-N 1 0 302.422 2.047 10 30 DEEERO C=CCCC[C@@H](C)[NH+]1CCC(C(=O)NCC(=O)OCC)CC1 ZINC000091631853 355603246 /nfs/dbraw/zinc/60/32/46/355603246.db2.gz KWOCZIBXKBNVFK-CQSZACIVSA-N 1 0 310.438 2.123 10 30 DEEERO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000092188701 355620119 /nfs/dbraw/zinc/62/01/19/355620119.db2.gz YKSGEALYNZRRPG-INIZCTEOSA-N 1 0 315.417 2.241 10 30 DEEERO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC(C(=O)OC)CC1 ZINC000595602367 358497811 /nfs/dbraw/zinc/49/78/11/358497811.db2.gz IJPBPKLLADJOGK-GOEBONIOSA-N 1 0 322.449 2.123 10 30 DEEERO C[C@H](C#N)CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000182617340 356133382 /nfs/dbraw/zinc/13/33/82/356133382.db2.gz DOUCHLALLUWYFK-WBVHZDCISA-N 1 0 314.433 2.500 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(CC)CC[NH3+] ZINC000626853410 366346356 /nfs/dbraw/zinc/34/63/56/366346356.db2.gz ZIUBPYQCGBMVEL-UHFFFAOYSA-N 1 0 317.433 2.284 10 30 DEEERO CCO[C@@H]1CN(c2ccc(Br)cc2C#N)C[C@H]1C[NH3+] ZINC000405404724 356734891 /nfs/dbraw/zinc/73/48/91/356734891.db2.gz XITLUVUYVWCGEU-BXUZGUMPSA-N 1 0 324.222 2.121 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1=O ZINC000591012110 357659925 /nfs/dbraw/zinc/65/99/25/357659925.db2.gz YGGHUHMGMITSFX-OAHLLOKOSA-N 1 0 303.362 2.204 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592755676 357936075 /nfs/dbraw/zinc/93/60/75/357936075.db2.gz WBHWZDONDJLWOS-CZUORRHYSA-N 1 0 317.389 2.450 10 30 DEEERO C=CCCn1cc(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)OC)nn1 ZINC000593968829 358180994 /nfs/dbraw/zinc/18/09/94/358180994.db2.gz RNDGHHORQDNJAO-GDBMZVCRSA-N 1 0 306.410 2.066 10 30 DEEERO N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(Br)cc1 ZINC000594426598 358266242 /nfs/dbraw/zinc/26/62/42/358266242.db2.gz FOPMFVPCXYLEBT-CYBMUJFWSA-N 1 0 324.222 2.477 10 30 DEEERO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595919384 358581474 /nfs/dbraw/zinc/58/14/74/358581474.db2.gz LRUWVIAWISCPOR-NEPJUHHUSA-N 1 0 310.419 2.046 10 30 DEEERO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595845377 358562911 /nfs/dbraw/zinc/56/29/11/358562911.db2.gz MWOZJPLIOMMSQG-QLFBSQMISA-N 1 0 320.433 2.112 10 30 DEEERO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)CC1(O)CCC1 ZINC000599283208 359449043 /nfs/dbraw/zinc/44/90/43/359449043.db2.gz QZHDYQLJQBJFSO-KRWDZBQOSA-N 1 0 300.402 2.212 10 30 DEEERO C=CCOc1ccccc1C[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000600188886 359681200 /nfs/dbraw/zinc/68/12/00/359681200.db2.gz HLUFTGFOARMHFT-QGZVFWFLSA-N 1 0 305.374 2.015 10 30 DEEERO Cc1ccc([C@H](CNC(=O)c2ccnc(C#N)c2)[NH+]2CCCC2)o1 ZINC000193066343 200985611 /nfs/dbraw/zinc/98/56/11/200985611.db2.gz WWMKNZJTZCOUQZ-INIZCTEOSA-N 1 0 324.384 2.422 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH+]1CCC(CCC(=O)OCC)CC1 ZINC000610997221 361508237 /nfs/dbraw/zinc/50/82/37/361508237.db2.gz PVVXHAXIKHBITL-UHFFFAOYSA-N 1 0 324.465 2.466 10 30 DEEERO C[C@H](NC(=O)NCC1CCC(C#N)CC1)C1CC[NH+](C)CC1 ZINC000619658845 363849655 /nfs/dbraw/zinc/84/96/55/363849655.db2.gz FJFLZFMDXKDSJG-NFOMZHRRSA-N 1 0 306.454 2.346 10 30 DEEERO C=CCCCC[C@H](C)[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000624082150 365280031 /nfs/dbraw/zinc/28/00/31/365280031.db2.gz NSMLZZBYUNNOJF-FUHWJXTLSA-N 1 0 310.482 2.327 10 30 DEEERO C=C1CC(C)(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000631584113 368297831 /nfs/dbraw/zinc/29/78/31/368297831.db2.gz XKNOGBBLXHLADK-UHFFFAOYSA-N 1 0 306.450 2.446 10 30 DEEERO [NH3+]CC#Cc1cc(C(=O)NCc2ccc(F)c(F)c2)cs1 ZINC000093976120 193332782 /nfs/dbraw/zinc/33/27/82/193332782.db2.gz COZUILVKOVNVQF-UHFFFAOYSA-N 1 0 306.337 2.267 10 30 DEEERO [NH3+]CC#Cc1cc(C(=O)NCc2ccc(F)cc2F)cs1 ZINC000093976352 193333399 /nfs/dbraw/zinc/33/33/99/193333399.db2.gz RHSBPSYICHMJDP-UHFFFAOYSA-N 1 0 306.337 2.267 10 30 DEEERO Cc1csc(CCNC(=O)c2cc(C)c(C#CC[NH3+])s2)n1 ZINC000094536786 193377867 /nfs/dbraw/zinc/37/78/67/193377867.db2.gz RULRMZKYFSVIPX-UHFFFAOYSA-N 1 0 319.455 2.104 10 30 DEEERO Cc1cc(C(=O)N2C[C@H](C)OC(C)(C)C2)sc1C#CC[NH3+] ZINC000094536666 193378321 /nfs/dbraw/zinc/37/83/21/193378321.db2.gz RWYXYAFHEDHBBT-LBPRGKRZSA-N 1 0 306.431 2.006 10 30 DEEERO C#CC[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000271726672 209159424 /nfs/dbraw/zinc/15/94/24/209159424.db2.gz RLAQIFQFIHWYAS-NVXWUHKLSA-N 1 0 320.458 2.012 10 30 DEEERO C=CC[C@H]([NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000160070263 197383665 /nfs/dbraw/zinc/38/36/65/197383665.db2.gz KAZJBRBGWJQERD-QMMMGPOBSA-N 1 0 303.240 2.456 10 30 DEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)c1ccc(F)cc1 ZINC000042364886 183258895 /nfs/dbraw/zinc/25/88/95/183258895.db2.gz GKLOAAMSNUAMEG-UHFFFAOYSA-N 1 0 302.374 2.470 10 30 DEEERO C[C@H](N(C)S(=O)(=O)c1cccc(C#CC[NH3+])c1)C(C)(C)C ZINC000042830775 183312992 /nfs/dbraw/zinc/31/29/92/183312992.db2.gz YQOHIJGDFXDNEI-ZDUSSCGKSA-N 1 0 308.447 2.052 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105894782 194159843 /nfs/dbraw/zinc/15/98/43/194159843.db2.gz SIAKSBXJAWKYAF-INIZCTEOSA-N 1 0 316.449 2.374 10 30 DEEERO OCCC#Cc1csc(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000062967938 184263604 /nfs/dbraw/zinc/26/36/04/184263604.db2.gz OZLGWJUUDBEFGW-INIZCTEOSA-N 1 0 304.459 2.152 10 30 DEEERO C=C[C@@](C)(C[NH2+]C(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000158830873 197304664 /nfs/dbraw/zinc/30/46/64/197304664.db2.gz VQBWMEMKWOKBIM-HUUCEWRRSA-N 1 0 302.484 2.238 10 30 DEEERO CC[C@@H]1C[N@H+](CCOc2cccc(C#CCO)c2)CCS1 ZINC000158029629 197236962 /nfs/dbraw/zinc/23/69/62/197236962.db2.gz JAEJFDRWXKVWBO-QGZVFWFLSA-N 1 0 305.443 2.237 10 30 DEEERO CC[C@@H]1CN(C(=O)c2ccc(C#CC[NH3+])cc2F)CCS1 ZINC000157976891 197232035 /nfs/dbraw/zinc/23/20/35/197232035.db2.gz CLKQIHQJENIGGR-CYBMUJFWSA-N 1 0 306.406 2.104 10 30 DEEERO Cc1oc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)c1C ZINC000157179324 197168154 /nfs/dbraw/zinc/16/81/54/197168154.db2.gz MXVPFTCSCUHYNP-RISCZKNCSA-N 1 0 318.421 2.121 10 30 DEEERO N#Cc1cccc(CS(=O)(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000237844780 132560568 /nfs/dbraw/zinc/56/05/68/132560568.db2.gz JHHNSPCICRNGOK-UHFFFAOYSA-N 1 0 321.446 2.029 10 30 DEEERO N#Cc1cnccc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000373462338 133391960 /nfs/dbraw/zinc/39/19/60/133391960.db2.gz ZTAXIWYIQRAKOJ-KRWDZBQOSA-N 1 0 306.413 2.352 10 30 DEEERO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111306318 401710241 /nfs/dbraw/zinc/71/02/41/401710241.db2.gz IMXYFOIDWKSWIF-CYBMUJFWSA-N 1 0 321.808 2.141 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116310459 401848642 /nfs/dbraw/zinc/84/86/42/401848642.db2.gz YKRDAAHJTCLHHX-CABCVRRESA-N 1 0 304.438 2.023 10 30 DEEERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000118793939 401908126 /nfs/dbraw/zinc/90/81/26/401908126.db2.gz ZCQMABFQHLWFSY-ZDUSSCGKSA-N 1 0 322.796 2.006 10 30 DEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000121075526 402014155 /nfs/dbraw/zinc/01/41/55/402014155.db2.gz LHJVZXJPOZIMIH-HUUCEWRRSA-N 1 0 310.438 2.075 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000050273653 402026776 /nfs/dbraw/zinc/02/67/76/402026776.db2.gz KRVPIHGDIHVSGP-HNNXBMFYSA-N 1 0 321.808 2.393 10 30 DEEERO N#Cc1ccc2ncc(C[NH2+]CCc3ccc4c(c3)OCO4)n2c1 ZINC000123187639 402114785 /nfs/dbraw/zinc/11/47/85/402114785.db2.gz HRZCYNHCAAHFAF-UHFFFAOYSA-N 1 0 320.352 2.267 10 30 DEEERO COc1cc(CC[NH2+]Cc2cnc3ccc(C#N)cn23)ccc1O ZINC000123777857 402145375 /nfs/dbraw/zinc/14/53/75/402145375.db2.gz DRXLKOBWYYJITG-UHFFFAOYSA-N 1 0 322.368 2.252 10 30 DEEERO CC[C@@H](O)C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000153988160 402185505 /nfs/dbraw/zinc/18/55/05/402185505.db2.gz FWDUHNAPHLUDST-QGZVFWFLSA-N 1 0 306.837 2.080 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000153845706 402174120 /nfs/dbraw/zinc/17/41/20/402174120.db2.gz VBGHUAIIHACGTC-AWEZNQCLSA-N 1 0 303.362 2.252 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@@H]1CCOC1)C(C)C ZINC000106533193 402214174 /nfs/dbraw/zinc/21/41/74/402214174.db2.gz YYEASBWVTNFEOE-CVEARBPZSA-N 1 0 309.454 2.115 10 30 DEEERO C=CCCCN(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000125621249 402242408 /nfs/dbraw/zinc/24/24/08/402242408.db2.gz VTFCNILWMXBHQG-UHFFFAOYSA-N 1 0 322.497 2.153 10 30 DEEERO C=C(C)C[NH+]1CCC(NCc2cnn(-c3ccccc3)n2)CC1 ZINC000106245894 402212749 /nfs/dbraw/zinc/21/27/49/402212749.db2.gz NQGGCCJLAXPAKB-UHFFFAOYSA-N 1 0 311.433 2.397 10 30 DEEERO C=CCOc1cc(OC)ccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000185045326 402320166 /nfs/dbraw/zinc/32/01/66/402320166.db2.gz BWKFTSXJOYOZFX-AWEZNQCLSA-N 1 0 316.401 2.180 10 30 DEEERO COCC[N@@H+]1CCN(CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000159922778 402333574 /nfs/dbraw/zinc/33/35/74/402333574.db2.gz CQBVPZSFJTZJSJ-HNNXBMFYSA-N 1 0 306.837 2.344 10 30 DEEERO CC[C@H]1CN(Cc2ccc(C#N)cc2C)CC[N@@H+]1CCOC ZINC000186207941 402410843 /nfs/dbraw/zinc/41/08/43/402410843.db2.gz DGMUWCKXRKPUGC-SFHVURJKSA-N 1 0 301.434 2.409 10 30 DEEERO Cc1ccc(C#N)cc1S(=O)(=O)NCC1([NH3+])CCCCCC1 ZINC000237795191 402421472 /nfs/dbraw/zinc/42/14/72/402421472.db2.gz ASGCNOPFQTXEMV-UHFFFAOYSA-N 1 0 321.446 2.197 10 30 DEEERO C[C@@H](NC(=O)c1cc(C#N)cn1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000185939314 402391227 /nfs/dbraw/zinc/39/12/27/402391227.db2.gz HQRHESTYDIDZEG-DYVFJYSZSA-N 1 0 310.401 2.318 10 30 DEEERO CN1CCO[C@H](CNc2cccc(Br)c2C#N)C1 ZINC000168566148 402496442 /nfs/dbraw/zinc/49/64/42/402496442.db2.gz GWPSGOGTZDCGKZ-SNVBAGLBSA-N 1 0 310.195 2.063 10 30 DEEERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1F ZINC000191170310 402647515 /nfs/dbraw/zinc/64/75/15/402647515.db2.gz KEZLBQMNLIVHRW-XPKDYRNWSA-N 1 0 302.349 2.471 10 30 DEEERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000182900196 402725819 /nfs/dbraw/zinc/72/58/19/402725819.db2.gz TYWSBHXYDHORFG-GDBMZVCRSA-N 1 0 315.417 2.041 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000183008966 402732156 /nfs/dbraw/zinc/73/21/56/402732156.db2.gz UVCHZGCDTQRXFG-IUCAKERBSA-N 1 0 315.826 2.452 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000183008986 402732479 /nfs/dbraw/zinc/73/24/79/402732479.db2.gz UVCHZGCDTQRXFG-BDAKNGLRSA-N 1 0 315.826 2.452 10 30 DEEERO C[C@@H](CNC(=O)c1ccnc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000192604362 402739921 /nfs/dbraw/zinc/73/99/21/402739921.db2.gz ZGXMHAZICOUGES-AWEZNQCLSA-N 1 0 320.396 2.130 10 30 DEEERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C#N)s1)CC2 ZINC000183319269 402756134 /nfs/dbraw/zinc/75/61/34/402756134.db2.gz UEXCINSUUFSWIF-WDEREUQCSA-N 1 0 301.419 2.439 10 30 DEEERO C[C@@H]1C[C@H](NC(=O)c2ccnc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000193513577 402771656 /nfs/dbraw/zinc/77/16/56/402771656.db2.gz XKOTULFZVJADHK-KDOFPFPSSA-N 1 0 320.396 2.346 10 30 DEEERO CCCCCCCS(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000195448147 402845832 /nfs/dbraw/zinc/84/58/32/402845832.db2.gz FNWXBWHKUVPICX-GJZGRUSLSA-N 1 0 302.484 2.313 10 30 DEEERO Cc1c(Cl)cnc(NCCCC[NH+]2CCOCC2)c1C#N ZINC000273291004 402991597 /nfs/dbraw/zinc/99/15/97/402991597.db2.gz FNGZAKHQMWDBFS-UHFFFAOYSA-N 1 0 308.813 2.439 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000273483697 403008400 /nfs/dbraw/zinc/00/84/00/403008400.db2.gz LSWAQAHCKDOINA-LBPRGKRZSA-N 1 0 324.222 2.432 10 30 DEEERO C=CCOCC[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000293658522 403530964 /nfs/dbraw/zinc/53/09/64/403530964.db2.gz TUMKBRMTYTVFNZ-CQSZACIVSA-N 1 0 314.223 2.449 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[NH+](CC)CC ZINC000287365954 403584098 /nfs/dbraw/zinc/58/40/98/403584098.db2.gz SIVSXIIQKWNWID-KRWDZBQOSA-N 1 0 301.434 2.262 10 30 DEEERO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000343730149 403709381 /nfs/dbraw/zinc/70/93/81/403709381.db2.gz WYRBHKKGJHYNPI-IRXDYDNUSA-N 1 0 315.417 2.016 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000343869283 403769326 /nfs/dbraw/zinc/76/93/26/403769326.db2.gz TWQQUHYSQBSONA-LPHOPBHVSA-N 1 0 316.445 2.342 10 30 DEEERO C=CCC[C@@H](O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000305085756 403824395 /nfs/dbraw/zinc/82/43/95/403824395.db2.gz NWKPJRAVAGASFT-QGZVFWFLSA-N 1 0 308.466 2.474 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1 ZINC000344318349 404055567 /nfs/dbraw/zinc/05/55/67/404055567.db2.gz AYTHKIQZNZIVMU-MRXNPFEDSA-N 1 0 309.431 2.308 10 30 DEEERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328801944 404153543 /nfs/dbraw/zinc/15/35/43/404153543.db2.gz AONSVCPTMGOWSS-IUKJFTNHSA-N 1 0 323.481 2.424 10 30 DEEERO C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)O1 ZINC000329063143 404218022 /nfs/dbraw/zinc/21/80/22/404218022.db2.gz ZRJXNRGAHXNBPX-OCVGTWLNSA-N 1 0 320.437 2.327 10 30 DEEERO C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)C[NH+]1CCN(C)CC1 ZINC000328850154 404162062 /nfs/dbraw/zinc/16/20/62/404162062.db2.gz WKHZMZHUKNRESJ-CABCVRRESA-N 1 0 324.469 2.116 10 30 DEEERO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCCCO1 ZINC000329442865 404339077 /nfs/dbraw/zinc/33/90/77/404339077.db2.gz KJUWWPUEGXJWAC-NIOBXDJOSA-N 1 0 309.454 2.463 10 30 DEEERO C=C[C@](C)(O)CC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000355928431 404378642 /nfs/dbraw/zinc/37/86/42/404378642.db2.gz ATDCGYVLNSXYPK-MOPGFXCFSA-N 1 0 316.445 2.484 10 30 DEEERO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000329680519 404420600 /nfs/dbraw/zinc/42/06/00/404420600.db2.gz XWAYDYYQSNIUME-TZMCWYRMSA-N 1 0 307.438 2.074 10 30 DEEERO C=C(C)C[N@@H+](C)CC(=O)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000351067491 404508842 /nfs/dbraw/zinc/50/88/42/404508842.db2.gz VUWGYWVPVXIDLV-QGZVFWFLSA-N 1 0 315.461 2.400 10 30 DEEERO C=CCC(C)(C)CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000352545817 404447521 /nfs/dbraw/zinc/44/75/21/404447521.db2.gz MAVWYKWHMYPSTC-UHFFFAOYSA-N 1 0 316.449 2.166 10 30 DEEERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330226880 404594132 /nfs/dbraw/zinc/59/41/32/404594132.db2.gz URCUKYNMDFTVEP-IIAWOOMASA-N 1 0 320.437 2.329 10 30 DEEERO Cc1cc(C[C@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[nH]n1 ZINC000330191330 404580793 /nfs/dbraw/zinc/58/07/93/404580793.db2.gz WYWWHFPDZJSHOD-DITUJHHDSA-N 1 0 319.453 2.168 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451343811 404962106 /nfs/dbraw/zinc/96/21/06/404962106.db2.gz PZZDZUTVIGVIRG-GVDBMIGSSA-N 1 0 306.450 2.203 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000435745908 405010308 /nfs/dbraw/zinc/01/03/08/405010308.db2.gz RIEBMGUSHRHZBQ-XHSDSOJGSA-N 1 0 309.454 2.141 10 30 DEEERO Cc1cc(C#N)nc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000367464724 405058994 /nfs/dbraw/zinc/05/89/94/405058994.db2.gz IZOYGBDBRUHVHA-KRWDZBQOSA-N 1 0 307.401 2.367 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451918458 405092777 /nfs/dbraw/zinc/09/27/77/405092777.db2.gz YEWSWTFEBGBRAF-RWMBFGLXSA-N 1 0 322.371 2.045 10 30 DEEERO C=CCCC[N@@H+](C)C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000419208640 405228648 /nfs/dbraw/zinc/22/86/48/405228648.db2.gz RPEXTLJPFZGARE-HNNXBMFYSA-N 1 0 318.417 2.209 10 30 DEEERO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2COc2cccnc2C)C1=O ZINC000419381990 405246389 /nfs/dbraw/zinc/24/63/89/405246389.db2.gz CZQKEIGEMFIUGK-JKSUJKDBSA-N 1 0 315.417 2.020 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)CCC[NH+](CC)CC ZINC000425850417 405324293 /nfs/dbraw/zinc/32/42/93/405324293.db2.gz GHWCZGKUHDPGHI-HOTGVXAUSA-N 1 0 311.470 2.341 10 30 DEEERO C=CC(C)(C)CNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000455381798 405403438 /nfs/dbraw/zinc/40/34/38/405403438.db2.gz IBJIXKRBTYMFGY-UHFFFAOYSA-N 1 0 318.421 2.134 10 30 DEEERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(C#N)n2C)C1 ZINC000448713741 405440750 /nfs/dbraw/zinc/44/07/50/405440750.db2.gz NHNRCXBOVYUZQU-GJZGRUSLSA-N 1 0 316.449 2.385 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527986921 405469950 /nfs/dbraw/zinc/46/99/50/405469950.db2.gz NJPPTOMLZGDTDI-OAGGEKHMSA-N 1 0 307.438 2.036 10 30 DEEERO C=CC[C@@]1(C(=O)N[C@@H]2COc3cccc(C)c3C2)CCC[NH2+]1 ZINC000638472993 405493346 /nfs/dbraw/zinc/49/33/46/405493346.db2.gz HNRANLNJZXCNNP-KSSFIOAISA-N 1 0 300.402 2.113 10 30 DEEERO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1 ZINC000449367172 405527486 /nfs/dbraw/zinc/52/74/86/405527486.db2.gz ZUGXJPDMKQUGFQ-MSOLQXFVSA-N 1 0 302.418 2.156 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000459033864 405706433 /nfs/dbraw/zinc/70/64/33/405706433.db2.gz BBZQCHZYOYPFQM-TWMKSMIVSA-N 1 0 321.465 2.377 10 30 DEEERO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)n2C)C[N@@H+]1Cc1ccccc1 ZINC000450107412 405742962 /nfs/dbraw/zinc/74/29/62/405742962.db2.gz QTNDYAYVCIWKDB-ZBFHGGJFSA-N 1 0 322.412 2.290 10 30 DEEERO C=CCN(CC=C)[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C(C)C ZINC000494922999 405783630 /nfs/dbraw/zinc/78/36/30/405783630.db2.gz QAUORKOPCSIMLT-JKSUJKDBSA-N 1 0 307.482 2.332 10 30 DEEERO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000519579521 406214658 /nfs/dbraw/zinc/21/46/58/406214658.db2.gz DLCOCCXUOWGLBD-RHSMWYFYSA-N 1 0 303.406 2.005 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)cc1 ZINC000634714287 406241471 /nfs/dbraw/zinc/24/14/71/406241471.db2.gz JCSDMCKNKCLETO-WMZOPIPTSA-N 1 0 305.418 2.253 10 30 DEEERO C[NH+](C)[C@H](CNC(=O)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000536021689 406248530 /nfs/dbraw/zinc/24/85/30/406248530.db2.gz JSGPYFDPZIYGFX-IBGZPJMESA-N 1 0 321.424 2.390 10 30 DEEERO C=CCN(CC1CCCCC1)C(=O)NC[C@H]1COCCN1C ZINC000637446686 406309836 /nfs/dbraw/zinc/30/98/36/406309836.db2.gz LHRREKKXNHCBGD-INIZCTEOSA-N 1 0 309.454 2.095 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000637623730 406369565 /nfs/dbraw/zinc/36/95/65/406369565.db2.gz LMULWMZNQKIWRX-HOTGVXAUSA-N 1 0 323.481 2.219 10 30 DEEERO C=CCCC(C)(C)CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000633078934 406373352 /nfs/dbraw/zinc/37/33/52/406373352.db2.gz QBKQZCHUHVWLQB-MRXNPFEDSA-N 1 0 324.513 2.162 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C(C)C ZINC000635559634 406590535 /nfs/dbraw/zinc/59/05/35/406590535.db2.gz GVMLTNMFMFHEIX-INMHGKMJSA-N 1 0 316.449 2.328 10 30 DEEERO C#CC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)cc1Br ZINC000129068430 196016342 /nfs/dbraw/zinc/01/63/42/196016342.db2.gz PGXVPBAFUQNIEK-SECBINFHSA-N 1 0 301.571 2.392 10 30 DEEERO C=CCn1ncc(NCC[NH+]2CCCCCC2)c(Cl)c1=O ZINC000134184593 196368274 /nfs/dbraw/zinc/36/82/74/196368274.db2.gz KEBBBZCQFUXSRG-UHFFFAOYSA-N 1 0 310.829 2.371 10 30 DEEERO Cn1ccnc1[C@H](O)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192120959 225125821 /nfs/dbraw/zinc/12/58/21/225125821.db2.gz CMGDSKFMUPZDDR-GOSISDBHSA-N 1 0 309.413 2.217 10 30 DEEERO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(=O)N(C)CCC#N ZINC000192362360 225132757 /nfs/dbraw/zinc/13/27/57/225132757.db2.gz HFEQDQFILKFLRJ-DOMZBBRYSA-N 1 0 301.390 2.120 10 30 DEEERO [NH2+]=C(NC1CC(c2ccc(F)c(Cl)c2)C1)N1CCOCC1 ZINC000262240418 225266673 /nfs/dbraw/zinc/26/66/73/225266673.db2.gz XYFHNSRIAHQARQ-UHFFFAOYSA-N 1 0 311.788 2.372 10 30 DEEERO COc1ccc([C@H]2C[C@H](NC(=[NH2+])N3CCSCC3)C2)cc1F ZINC000261842165 225256529 /nfs/dbraw/zinc/25/65/29/225256529.db2.gz ZZNXDPJLSZXAJH-JOCQHMNTSA-N 1 0 323.437 2.444 10 30 DEEERO CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCNC1=O ZINC000328899902 225813027 /nfs/dbraw/zinc/81/30/27/225813027.db2.gz ZFNZMGNRIPUBLW-OAHLLOKOSA-N 1 0 322.453 2.358 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000333261847 226104059 /nfs/dbraw/zinc/10/40/59/226104059.db2.gz UPYLCQCKFWBCEN-DZKIICNBSA-N 1 0 304.438 2.385 10 30 DEEERO CCc1ccc([C@@H](CNc2nc(C)cc(C#N)n2)[NH+](C)C)cc1 ZINC000439134183 425036675 /nfs/dbraw/zinc/03/66/75/425036675.db2.gz UMDUDVAKNXKHFV-QGZVFWFLSA-N 1 0 309.417 2.934 10 30 DEEERO N#Cc1cccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000531386106 268277842 /nfs/dbraw/zinc/27/78/42/268277842.db2.gz JOHKKTHMARRBGL-IBGZPJMESA-N 1 0 319.408 2.491 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000284351912 276858884 /nfs/dbraw/zinc/85/88/84/276858884.db2.gz SDPYSZACEKABAL-IEBWSBKVSA-N 1 0 315.461 2.446 10 30 DEEERO CC[C@]1(C)CCN(C(NCc2cn3c(n2)CCCC3)=[NH+]C)C1 ZINC000261838606 288441199 /nfs/dbraw/zinc/44/11/99/288441199.db2.gz WIWCIGLYFAPAOV-QGZVFWFLSA-N 1 0 303.454 2.417 10 30 DEEERO C[C@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC[N@@H+](C2CC2)C1 ZINC000334096333 300157184 /nfs/dbraw/zinc/15/71/84/300157184.db2.gz SEMCADVZWOFRIX-ILXRZTDVSA-N 1 0 304.438 2.194 10 30 DEEERO C[C@@H]1CCC[N@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000188134524 333037646 /nfs/dbraw/zinc/03/76/46/333037646.db2.gz NVZRSYUVUFNRLO-OAHLLOKOSA-N 1 0 311.429 2.438 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000563507344 333615507 /nfs/dbraw/zinc/61/55/07/333615507.db2.gz XMPZIWHICLJWHZ-HIFRSBDPSA-N 1 0 319.380 2.327 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000514671487 337155826 /nfs/dbraw/zinc/15/58/26/337155826.db2.gz PZPOVZKHRUQUSB-QWHCGFSZSA-N 1 0 320.393 2.418 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(OC)cc(OC)cc1OC ZINC000424167796 337790547 /nfs/dbraw/zinc/79/05/47/337790547.db2.gz FGYBPPQLEZXMAO-WFASDCNBSA-N 1 0 307.390 2.393 10 30 DEEERO C=CCC1(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CCC1 ZINC000529909166 340773208 /nfs/dbraw/zinc/77/32/08/340773208.db2.gz FRVGHHOGHMHEJC-UHFFFAOYSA-N 1 0 306.450 2.446 10 30 DEEERO C=CCn1c(N2CC[NH+](CCC)CC2)nnc1[C@]1(C)CCCO1 ZINC000453437257 534442694 /nfs/dbraw/zinc/44/26/94/534442694.db2.gz JDNFROHSSYCASY-KRWDZBQOSA-N 1 0 319.453 2.022 10 30 DEEERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C#N)cc1 ZINC000106904828 522093234 /nfs/dbraw/zinc/09/32/34/522093234.db2.gz XTTBGPIYFUFYTH-GOSISDBHSA-N 1 0 307.397 2.347 10 30 DEEERO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418583234 526310157 /nfs/dbraw/zinc/31/01/57/526310157.db2.gz AUIRYOAYKMFJDK-NVXWUHKLSA-N 1 0 301.434 2.425 10 30 DEEERO C[NH+]=C(NCC1(O)CCC1)N1CCC(OCC2CCCC2)CC1 ZINC000262790877 526351675 /nfs/dbraw/zinc/35/16/75/526351675.db2.gz NWCKKYDRPDOIBI-UHFFFAOYSA-N 1 0 323.481 2.148 10 30 DEEERO C[NH+]=C(NCCc1c(C)nn(C)c1C)N1CCc2ccccc21 ZINC000263237729 526363439 /nfs/dbraw/zinc/36/34/39/526363439.db2.gz KDCHPNQRVYCUDA-UHFFFAOYSA-N 1 0 311.433 2.218 10 30 DEEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262766714 526369997 /nfs/dbraw/zinc/36/99/97/526369997.db2.gz GJXLTHJANQEVTG-LOWDOPEQSA-N 1 0 321.387 2.434 10 30 DEEERO C=CC[N@H+](Cc1cccs1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338264200 526377133 /nfs/dbraw/zinc/37/71/33/526377133.db2.gz PXTYVLODUUJFHS-CYBMUJFWSA-N 1 0 314.476 2.018 10 30 DEEERO C[NH+]=C(NCc1cccc(OC)n1)N1CCS[C@H](C(C)C)C1 ZINC000261676057 526384044 /nfs/dbraw/zinc/38/40/44/526384044.db2.gz COXJZPMVTDOZAC-AWEZNQCLSA-N 1 0 322.478 2.239 10 30 DEEERO C[NH+]=C(NCc1nnc(C(C)C)s1)NCc1nc(C)cs1 ZINC000261693024 526391071 /nfs/dbraw/zinc/39/10/71/526391071.db2.gz FIDBWRMQLXZDJW-UHFFFAOYSA-N 1 0 324.479 2.292 10 30 DEEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N(C)Cc1csc(C)n1 ZINC000155686998 526394756 /nfs/dbraw/zinc/39/47/56/526394756.db2.gz AXYZRVKXPSBZGZ-MJBXVCDLSA-N 1 0 322.478 2.272 10 30 DEEERO C[NH+]=C(NCc1ccco1)NC[C@@H](O)c1ccc(Cl)s1 ZINC000172840067 526414212 /nfs/dbraw/zinc/41/42/12/526414212.db2.gz ARZUANJPWQQQFW-SNVBAGLBSA-N 1 0 313.810 2.393 10 30 DEEERO C[NH+]=C(NCc1noc(C)n1)NCc1cc(F)ccc1SC ZINC000262754122 526415746 /nfs/dbraw/zinc/41/57/46/526415746.db2.gz CPPGJUQWKQSGKD-UHFFFAOYSA-N 1 0 323.397 2.104 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCC2CCC(OC)CC2)CC1 ZINC000428360306 526431670 /nfs/dbraw/zinc/43/16/70/526431670.db2.gz CPNJUZMMCWNYOU-UHFFFAOYSA-N 1 0 309.454 2.141 10 30 DEEERO C=CCNC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190676193 526584390 /nfs/dbraw/zinc/58/43/90/526584390.db2.gz LEKRHENVWWHCKO-CYBMUJFWSA-N 1 0 308.451 2.101 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000376642345 526673221 /nfs/dbraw/zinc/67/32/21/526673221.db2.gz BDPFJRCXLCADQJ-LJQANCHMSA-N 1 0 308.425 2.430 10 30 DEEERO C=CCOCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000370359053 526782638 /nfs/dbraw/zinc/78/26/38/526782638.db2.gz LIPCHHXVLXBVMO-QGZVFWFLSA-N 1 0 302.418 2.360 10 30 DEEERO C=CCOc1ccc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cc1OC ZINC000297382071 526841713 /nfs/dbraw/zinc/84/17/13/526841713.db2.gz MZUFAIAILJMREZ-DCGLDWPTSA-N 1 0 318.417 2.458 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCc3nc(C)sc32)CC1 ZINC000367988995 526930849 /nfs/dbraw/zinc/93/08/49/526930849.db2.gz OWAFMJNRFZRRQT-HNNXBMFYSA-N 1 0 317.458 2.290 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000417596191 526943817 /nfs/dbraw/zinc/94/38/17/526943817.db2.gz KWFQBPREYRBLRS-DZGCQCFKSA-N 1 0 303.406 2.049 10 30 DEEERO C=CCCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248825236 527417449 /nfs/dbraw/zinc/41/74/49/527417449.db2.gz LUUYUONBVXLKJL-GOEBONIOSA-N 1 0 308.447 2.002 10 30 DEEERO C#Cc1ccc(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000296587830 527435385 /nfs/dbraw/zinc/43/53/85/527435385.db2.gz GGMGIBGSYRPFPT-MAUKXSAKSA-N 1 0 311.429 2.436 10 30 DEEERO C=CCN(CC=C)C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246515943 527612135 /nfs/dbraw/zinc/61/21/35/527612135.db2.gz IMTSUPOTDXSFNU-WMZOPIPTSA-N 1 0 317.477 2.136 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000176484580 527615597 /nfs/dbraw/zinc/61/55/97/527615597.db2.gz BLNDHIJPDMHUSF-CQSZACIVSA-N 1 0 316.401 2.309 10 30 DEEERO CC1=CCN(CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000262247179 528115522 /nfs/dbraw/zinc/11/55/22/528115522.db2.gz BFHDSXCLJZUEBZ-MRXNPFEDSA-N 1 0 314.433 2.067 10 30 DEEERO CC[NH+]=C(NC1CCC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261995462 528801929 /nfs/dbraw/zinc/80/19/29/528801929.db2.gz SGSQCDZJDUCJDY-ZDUSSCGKSA-N 1 0 321.856 2.421 10 30 DEEERO CC[NH+]=C(NCC1(O)CCCC1)N1CCC[C@]2(CCCOC2)C1 ZINC000262819417 528803792 /nfs/dbraw/zinc/80/37/92/528803792.db2.gz XTUQSSCXDPSLQG-KRWDZBQOSA-N 1 0 323.481 2.150 10 30 DEEERO CC[NH+]=C(NC[C@](C)(O)CC)N1CCC[C@]2(CCCOC2)C1 ZINC000262795287 528813961 /nfs/dbraw/zinc/81/39/61/528813961.db2.gz PLYFMMWUQFHGQI-SJORKVTESA-N 1 0 311.470 2.006 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000249073455 535256871 /nfs/dbraw/zinc/25/68/71/535256871.db2.gz MMFMRRUTAHBZMA-RHSMWYFYSA-N 1 0 311.429 2.435 10 30 DEEERO C=C(C)[C@@H](CO)[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000752856562 639227006 /nfs/dbraw/zinc/22/70/06/639227006.db2.gz OVSOXTBJLCBBND-MRXNPFEDSA-N 1 0 304.390 2.130 10 30 DEEERO CC[N@H+](CCOCCO)Cc1cc(Cl)ccc1OCC#N ZINC000800430933 645271173 /nfs/dbraw/zinc/27/11/73/645271173.db2.gz WFVOQANXBRDFPG-UHFFFAOYSA-N 1 0 312.797 2.073 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](C)CC1 ZINC000806739262 645866205 /nfs/dbraw/zinc/86/62/05/645866205.db2.gz BXUDZVMRNRGQMZ-SFHVURJKSA-N 1 0 313.445 2.262 10 30 DEEERO C#CCOc1ccc(F)cc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000173793613 646779543 /nfs/dbraw/zinc/77/95/43/646779543.db2.gz TXOOSROQBHIWHV-UHFFFAOYSA-N 1 0 319.380 2.396 10 30 DEEERO Cc1cc([C@@](C)(O)C[NH2+]Cc2cnc3ccc(C#N)cn23)c(C)o1 ZINC000174440343 646811273 /nfs/dbraw/zinc/81/12/73/646811273.db2.gz NWWHYRYAFJXPLA-SFHVURJKSA-N 1 0 324.384 2.413 10 30 DEEERO C=CCn1c(C)nn(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1=S ZINC000153203642 647384006 /nfs/dbraw/zinc/38/40/06/647384006.db2.gz NMNOPDUQOKHSEU-GXTWGEPZSA-N 1 0 307.467 2.035 10 30 DEEERO C[NH+]=C(NCc1cccs1)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000153431742 647460945 /nfs/dbraw/zinc/46/09/45/647460945.db2.gz YOUUVQXETVQVFI-NSHDSACASA-N 1 0 319.478 2.395 10 30 DEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000154759107 648091587 /nfs/dbraw/zinc/09/15/87/648091587.db2.gz YFEBEVPAMIZILS-MISXGVKJSA-N 1 0 308.376 2.117 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(Sc2ccccc2)CC1 ZINC000069673517 648722507 /nfs/dbraw/zinc/72/25/07/648722507.db2.gz HLHWFRURRIPPRZ-ZDUSSCGKSA-N 1 0 305.447 2.395 10 30 DEEERO C[NH+]=C(NCc1cccnc1OC)N(C)Cc1ccc(F)cc1 ZINC000114087464 651895356 /nfs/dbraw/zinc/89/53/56/651895356.db2.gz HDDZLFNZRVCXCX-UHFFFAOYSA-N 1 0 316.380 2.437 10 30 DEEERO CCCC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC000119424199 684081835 /nfs/dbraw/zinc/08/18/35/684081835.db2.gz YVBDXCRARNUXJL-HZPDHXFCSA-N 1 0 322.449 2.054 10 30 DEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC000121705238 684108475 /nfs/dbraw/zinc/10/84/75/684108475.db2.gz DYIKVHYOPRSYME-JYJNAYRXSA-N 1 0 323.433 2.243 10 30 DEEERO C#CCOc1ccc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000125570697 684146889 /nfs/dbraw/zinc/14/68/89/684146889.db2.gz NCBFVHMRTJNFOH-QAPCUYQASA-N 1 0 303.402 2.138 10 30 DEEERO COC(=O)CC[N@H+](CC#Cc1ccccc1)C1CCOCC1 ZINC000192050377 684440824 /nfs/dbraw/zinc/44/08/24/684440824.db2.gz STHHUBNVXPXJPM-UHFFFAOYSA-N 1 0 301.386 2.082 10 30 DEEERO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245513145 685113154 /nfs/dbraw/zinc/11/31/54/685113154.db2.gz BZUWLJOEIRQMBK-CZUORRHYSA-N 1 0 301.390 2.078 10 30 DEEERO CC[C@@H](C)NC(=[NH2+])NCc1ccc(OC)c(OC(F)F)c1 ZINC000303267410 685231050 /nfs/dbraw/zinc/23/10/50/685231050.db2.gz XGEZTYHHHXQKGD-SECBINFHSA-N 1 0 301.337 2.499 10 30 DEEERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)CC(=O)OC ZINC000249706979 717165124 /nfs/dbraw/zinc/16/51/24/717165124.db2.gz PHUNCVYBMKEZEO-SFHVURJKSA-N 1 0 305.354 2.427 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724067479 777234375 /nfs/dbraw/zinc/23/43/75/777234375.db2.gz IDVANPZDRQGWJD-SOUVJXGZSA-N 1 0 310.438 2.308 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000716827000 793008949 /nfs/dbraw/zinc/00/89/49/793008949.db2.gz CIHVXMSVFDXOAT-RRFJBIMHSA-N 1 0 310.438 2.402 10 30 DEEERO C=CC[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000074767907 185016746 /nfs/dbraw/zinc/01/67/46/185016746.db2.gz PPZRMGIOIGZMHW-MRXNPFEDSA-N 1 0 322.497 2.201 10 30 DEEERO C=CC[NH2+]CC(=O)Nc1ccccc1I ZINC000087555723 185228284 /nfs/dbraw/zinc/22/82/84/185228284.db2.gz JJHGYTSLIFMRQV-UHFFFAOYSA-N 1 0 316.142 2.005 10 30 DEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000087748577 185231299 /nfs/dbraw/zinc/23/12/99/185231299.db2.gz QKDNFTSRIRQDDH-KBPBESRZSA-N 1 0 302.443 2.271 10 30 DEEERO CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1cccc(C#CC[NH3+])c1 ZINC000088310898 185245168 /nfs/dbraw/zinc/24/51/68/185245168.db2.gz MVSNYNMQSDSZDY-UONOGXRCSA-N 1 0 308.447 2.100 10 30 DEEERO CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccc(C#CC[NH3+])cc1 ZINC000088310909 185245299 /nfs/dbraw/zinc/24/52/99/185245299.db2.gz UPRVXWOYCCSVBY-KBPBESRZSA-N 1 0 308.447 2.100 10 30 DEEERO CN(CCC(F)(F)F)C(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000088436866 185250231 /nfs/dbraw/zinc/25/02/31/185250231.db2.gz PARQEOYKJLCCGI-UHFFFAOYSA-N 1 0 302.271 2.160 10 30 DEEERO C=CCC1(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)CCCCC1 ZINC000614071534 362276135 /nfs/dbraw/zinc/27/61/35/362276135.db2.gz XBAQAHJNDUWGFR-SFHVURJKSA-N 1 0 308.466 2.428 10 30 DEEERO COc1cc(C#N)ccc1C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000614779695 362460101 /nfs/dbraw/zinc/46/01/01/362460101.db2.gz FNIIMWWOQAUNKN-OAHLLOKOSA-N 1 0 310.401 2.458 10 30 DEEERO N#Cc1cc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)ccc1F ZINC000111246891 185563768 /nfs/dbraw/zinc/56/37/68/185563768.db2.gz ICSRUXHAYQMFHU-GFCCVEGCSA-N 1 0 301.243 2.178 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000625700108 365875114 /nfs/dbraw/zinc/87/51/14/365875114.db2.gz HRSROUIJXRXZIM-CQSZACIVSA-N 1 0 306.381 2.219 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000625704049 365877218 /nfs/dbraw/zinc/87/72/18/365877218.db2.gz RNNXYPZKFOOEDC-CQSZACIVSA-N 1 0 308.447 2.335 10 30 DEEERO Cc1ccc(C(=O)NCc2sccc2C#CC[NH3+])cc1O ZINC000148664555 186045798 /nfs/dbraw/zinc/04/57/98/186045798.db2.gz TXAJIINUXDIHMZ-UHFFFAOYSA-N 1 0 300.383 2.002 10 30 DEEERO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000186032237 186233581 /nfs/dbraw/zinc/23/35/81/186233581.db2.gz AGOPHDHIVUBKHR-YJBOKZPZSA-N 1 0 316.445 2.472 10 30 DEEERO Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CC2(C)C)CCC[N@@H+]1C ZINC000329110200 539914525 /nfs/dbraw/zinc/91/45/25/539914525.db2.gz GGBCOVZXNXMYDH-NWANDNLSSA-N 1 0 319.453 2.105 10 30 DEEERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330069623 539933289 /nfs/dbraw/zinc/93/32/89/539933289.db2.gz HJFSKKOLBHZYRE-YFHUEUNASA-N 1 0 321.465 2.154 10 30 DEEERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000173791547 198252030 /nfs/dbraw/zinc/25/20/30/198252030.db2.gz BWFSASCXVBUGQY-CJNGLKHVSA-N 1 0 300.406 2.182 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C#N)c1 ZINC000173791135 198252419 /nfs/dbraw/zinc/25/24/19/198252419.db2.gz RRVYFCUSIRSTBF-DLBZAZTESA-N 1 0 312.417 2.326 10 30 DEEERO CN(C)C(=O)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000176986196 198646084 /nfs/dbraw/zinc/64/60/84/198646084.db2.gz BTLRHFFRZJXPIN-UHFFFAOYSA-N 1 0 304.821 2.492 10 30 DEEERO N#CCCOCC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459492429 283052424 /nfs/dbraw/zinc/05/24/24/283052424.db2.gz FPGUHHVPJXLBPA-UHFFFAOYSA-N 1 0 300.402 2.481 10 30 DEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000078805294 355279396 /nfs/dbraw/zinc/27/93/96/355279396.db2.gz PHRMGRNACWXSOU-QWHCGFSZSA-N 1 0 319.405 2.136 10 30 DEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000595605079 358498868 /nfs/dbraw/zinc/49/88/68/358498868.db2.gz UYWGQFWOCJVGRE-PMPSAXMXSA-N 1 0 324.465 2.415 10 30 DEEERO C=CCNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000182126808 356110918 /nfs/dbraw/zinc/11/09/18/356110918.db2.gz AXYNUOMTZWXDTQ-IRXDYDNUSA-N 1 0 315.417 2.458 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000183218399 356164003 /nfs/dbraw/zinc/16/40/03/356164003.db2.gz UXZZCZFCXPEKQR-INIZCTEOSA-N 1 0 315.417 2.302 10 30 DEEERO C=CC[C@H](CO)NC(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000185238899 356204937 /nfs/dbraw/zinc/20/49/37/356204937.db2.gz RUPQGKJZKUMPEG-SJORKVTESA-N 1 0 319.449 2.088 10 30 DEEERO CNC(Nc1ccc(F)cc1I)=[NH+]C ZINC000306900223 356406313 /nfs/dbraw/zinc/40/63/13/356406313.db2.gz FDKIUGIUGZGBSH-UHFFFAOYSA-N 1 0 307.110 2.047 10 30 DEEERO C=C[C@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000379617802 356668553 /nfs/dbraw/zinc/66/85/53/356668553.db2.gz NOYFYMWMESRLOL-SJORKVTESA-N 1 0 302.418 2.358 10 30 DEEERO C[C@H]1C[C@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1C ZINC000123965053 291125203 /nfs/dbraw/zinc/12/52/03/291125203.db2.gz MQYVFPZJHKPTSB-JKSUJKDBSA-N 1 0 320.481 2.086 10 30 DEEERO C[C@@H](COCc1ccccc1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594432866 358268705 /nfs/dbraw/zinc/26/87/05/358268705.db2.gz HHSVXVGUDLHNMK-GOEBONIOSA-N 1 0 303.406 2.119 10 30 DEEERO C=CCCn1cc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCC2)nn1 ZINC000594996303 358374983 /nfs/dbraw/zinc/37/49/83/358374983.db2.gz WWPMGLDOYIPWMC-UHFFFAOYSA-N 1 0 320.437 2.456 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C(=O)OC)oc2C)CC1 ZINC000597165915 358841811 /nfs/dbraw/zinc/84/18/11/358841811.db2.gz ALZGSIGGOIIEEL-UHFFFAOYSA-N 1 0 320.389 2.145 10 30 DEEERO C=CCC1(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)CCC1 ZINC000627741904 366608051 /nfs/dbraw/zinc/60/80/51/366608051.db2.gz ZWZXJWMVUZYPRL-UHFFFAOYSA-N 1 0 306.450 2.446 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCC1C[NH2+]C1 ZINC000602450715 360377738 /nfs/dbraw/zinc/37/77/38/360377738.db2.gz UVKSSRHUAPBFBE-UHFFFAOYSA-N 1 0 303.362 2.109 10 30 DEEERO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(C#N)cc1F ZINC000609253232 361292025 /nfs/dbraw/zinc/29/20/25/361292025.db2.gz UJJSTCRVYYPDJW-LBPRGKRZSA-N 1 0 306.385 2.227 10 30 DEEERO C[C@@H](NC(=O)c1ccnc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193786894 201123957 /nfs/dbraw/zinc/12/39/57/201123957.db2.gz UWGWOZKSCWLOIC-UKRRQHHQSA-N 1 0 312.417 2.336 10 30 DEEERO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)C1=O ZINC000619620820 363842587 /nfs/dbraw/zinc/84/25/87/363842587.db2.gz XODWWCQVPCWHAK-GJZGRUSLSA-N 1 0 322.449 2.217 10 30 DEEERO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CCOCC1 ZINC000628966199 367030768 /nfs/dbraw/zinc/03/07/68/367030768.db2.gz KOTVROLFNJVCBJ-INIZCTEOSA-N 1 0 306.450 2.492 10 30 DEEERO C=C(C)C[C@@H]1NC(=O)N(C[C@@H](C)[N@H+](C)Cc2ccccc2)C1=O ZINC000630971399 367943925 /nfs/dbraw/zinc/94/39/25/367943925.db2.gz APJXHZHEOAQORB-ZBFHGGJFSA-N 1 0 315.417 2.394 10 30 DEEERO [NH3+]CC#Cc1cnc(NC(=O)[C@@H]2Cc3ccccc3S2)s1 ZINC000092232653 193177132 /nfs/dbraw/zinc/17/71/32/193177132.db2.gz BZZUJFPIJJSWMY-ZDUSSCGKSA-N 1 0 315.423 2.109 10 30 DEEERO C=C1CC(C)(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000631910400 368455709 /nfs/dbraw/zinc/45/57/09/368455709.db2.gz DMRJJCZJJZMESS-CVEARBPZSA-N 1 0 306.450 2.227 10 30 DEEERO CC[C@@H](NC(=O)c1csc(C#CC[NH3+])c1)c1nccs1 ZINC000093976580 193332540 /nfs/dbraw/zinc/33/25/40/193332540.db2.gz ZIYISWGPAAZOCC-GFCCVEGCSA-N 1 0 305.428 2.396 10 30 DEEERO CCN(C[C@@H]1CCCO1)C(=O)c1cc(C)c(C#CC[NH3+])s1 ZINC000094536402 193377929 /nfs/dbraw/zinc/37/79/29/193377929.db2.gz KNGNYEXUOGFDHG-ZDUSSCGKSA-N 1 0 306.431 2.008 10 30 DEEERO CS(=O)(=O)c1ccc(OCc2cc(C#CC[NH3+])cs2)cc1 ZINC000043689404 183381533 /nfs/dbraw/zinc/38/15/33/183381533.db2.gz YPNVNTQJBUNJMW-UHFFFAOYSA-N 1 0 321.423 2.041 10 30 DEEERO CC[NH2+]Cc1ccc(Br)cc1-n1cnc(C#N)n1 ZINC000061842382 184189594 /nfs/dbraw/zinc/18/95/94/184189594.db2.gz QFGJWFHBMBJVIV-UHFFFAOYSA-N 1 0 306.167 2.011 10 30 DEEERO CC(C)C[NH2+]Cc1ccc(OCC(=O)NCC#N)c(Cl)c1 ZINC000062730394 184251602 /nfs/dbraw/zinc/25/16/02/184251602.db2.gz IKHJQNXDXSXAEW-UHFFFAOYSA-N 1 0 309.797 2.104 10 30 DEEERO OCCC#Cc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000062967947 184263497 /nfs/dbraw/zinc/26/34/97/184263497.db2.gz XGABMXFGHULGCX-OAHLLOKOSA-N 1 0 304.459 2.152 10 30 DEEERO C[NH2+]C[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000063168862 184275863 /nfs/dbraw/zinc/27/58/63/184275863.db2.gz NITKNPBBWJCFGV-ZDUSSCGKSA-N 1 0 306.435 2.022 10 30 DEEERO [NH3+]CC#Cc1ccsc1Cn1sc2ccccc2c1=O ZINC000159203601 197335692 /nfs/dbraw/zinc/33/56/92/197335692.db2.gz DYXVGZMXMIEEKG-UHFFFAOYSA-N 1 0 300.408 2.483 10 30 DEEERO CC1(C)CN(C(=O)c2ccc(C#CC[NH3+])c(F)c2)CCS1 ZINC000159029170 197320983 /nfs/dbraw/zinc/32/09/83/197320983.db2.gz DEFRDVGAOVJTHN-UHFFFAOYSA-N 1 0 306.406 2.104 10 30 DEEERO C=C[C@@](C)(C[NH2+]CC(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000158967209 197315190 /nfs/dbraw/zinc/31/51/90/197315190.db2.gz NEDBUKHXOJZUEK-JKSUJKDBSA-N 1 0 316.511 2.486 10 30 DEEERO CC[C@H]1CN(C(=O)c2cc(C#CC[NH3+])ccc2C)CCS1 ZINC000157979072 197232285 /nfs/dbraw/zinc/23/22/85/197232285.db2.gz NIOSTHBHGBXEPF-HNNXBMFYSA-N 1 0 302.443 2.273 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NC[C@H]2CCCCS2)cc1F ZINC000156566561 197123865 /nfs/dbraw/zinc/12/38/65/197123865.db2.gz ZVJHUTRZZPAMQA-CQSZACIVSA-N 1 0 306.406 2.151 10 30 DEEERO N#Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCCS2)c1 ZINC000156446175 197114295 /nfs/dbraw/zinc/11/42/95/197114295.db2.gz YKPWQUWJTSACAT-GOEBONIOSA-N 1 0 306.431 2.173 10 30 DEEERO C#CCOc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155559088 197066756 /nfs/dbraw/zinc/06/67/56/197066756.db2.gz ZJTMDCZATBMJDT-YOEHRIQHSA-N 1 0 300.402 2.157 10 30 DEEERO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000155320677 197043501 /nfs/dbraw/zinc/04/35/01/197043501.db2.gz YBGNVWKCFHZBRU-YCPHGPKFSA-N 1 0 300.402 2.011 10 30 DEEERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000245471254 285241761 /nfs/dbraw/zinc/24/17/61/285241761.db2.gz NTWMZFBSWWQVDN-HZPDHXFCSA-N 1 0 320.481 2.134 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000328839036 285262089 /nfs/dbraw/zinc/26/20/89/285262089.db2.gz UDHGLTBZRNPWDR-LSDHHAIUSA-N 1 0 309.454 2.324 10 30 DEEERO CC[C@@H]1CN(Cc2ccc(C#N)cc2OC)CC[N@@H+]1CCOC ZINC000120865506 195253556 /nfs/dbraw/zinc/25/35/56/195253556.db2.gz JBHNYUOGBHHYSN-QGZVFWFLSA-N 1 0 317.433 2.109 10 30 DEEERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1cc(Br)ccc1C#N ZINC000124567097 195654753 /nfs/dbraw/zinc/65/47/53/195654753.db2.gz QVQXUILQZXBOET-XWIASGKRSA-N 1 0 306.207 2.365 10 30 DEEERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2(C#N)CCCCC2)CC1 ZINC000176877603 533662636 /nfs/dbraw/zinc/66/26/36/533662636.db2.gz MMGZBQXTMWMDIA-OAHLLOKOSA-N 1 0 321.465 2.012 10 30 DEEERO N#Cc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1 ZINC000359161102 147272734 /nfs/dbraw/zinc/27/27/34/147272734.db2.gz ZSBNZZBLNMTAJQ-UHFFFAOYSA-N 1 0 308.385 2.080 10 30 DEEERO N#Cc1ccc([C@H](O)C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000127473013 401736344 /nfs/dbraw/zinc/73/63/44/401736344.db2.gz BTVRORXCLMFAFO-GOSISDBHSA-N 1 0 310.401 2.200 10 30 DEEERO C#CCCOc1ccc(C[NH2+]CCCN2CCCC2=O)cc1 ZINC000113314588 401775963 /nfs/dbraw/zinc/77/59/63/401775963.db2.gz OVBUKFAYWLLIBT-UHFFFAOYSA-N 1 0 300.402 2.191 10 30 DEEERO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000135254764 401931849 /nfs/dbraw/zinc/93/18/49/401931849.db2.gz GRZCRCJZQGYVHL-QGZVFWFLSA-N 1 0 313.445 2.394 10 30 DEEERO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1nccs1 ZINC000134236051 401900598 /nfs/dbraw/zinc/90/05/98/401900598.db2.gz YITKOBVANQMDSZ-DZGCQCFKSA-N 1 0 317.414 2.495 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000047143294 401979053 /nfs/dbraw/zinc/97/90/53/401979053.db2.gz XYOCTBOOQDCYPN-LSDHHAIUSA-N 1 0 315.417 2.316 10 30 DEEERO C[C@@H](Oc1ccccc1C#N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000120211753 401982248 /nfs/dbraw/zinc/98/22/48/401982248.db2.gz HSUGJGCGSAHJBS-CQSZACIVSA-N 1 0 315.417 2.174 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000153134769 402128990 /nfs/dbraw/zinc/12/89/90/402128990.db2.gz SCFRIKQVGOMDAT-CVEARBPZSA-N 1 0 316.401 2.447 10 30 DEEERO C=CCOc1cccc(CN2CC[NH+](C[C@@H](O)CC)CC2)c1 ZINC000123515945 402132033 /nfs/dbraw/zinc/13/20/33/402132033.db2.gz GAGVNIMHOPFQSM-KRWDZBQOSA-N 1 0 304.434 2.140 10 30 DEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(C#N)c1 ZINC000153323477 402139717 /nfs/dbraw/zinc/13/97/17/402139717.db2.gz CWVQBQFUSQDZIB-QGZVFWFLSA-N 1 0 314.433 2.478 10 30 DEEERO C[C@@H]1C[C@@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)CC[N@@H+]1C ZINC000123965287 402156399 /nfs/dbraw/zinc/15/63/99/402156399.db2.gz MQYVFPZJHKPTSB-CVEARBPZSA-N 1 0 320.481 2.086 10 30 DEEERO Fc1ccc(C#CC[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000154124522 402194047 /nfs/dbraw/zinc/19/40/47/402194047.db2.gz IFGNJTIGVJNGDI-IBGZPJMESA-N 1 0 316.420 2.364 10 30 DEEERO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000068587656 402202457 /nfs/dbraw/zinc/20/24/57/402202457.db2.gz SOPFJKPDXAXQBE-KRWDZBQOSA-N 1 0 317.408 2.455 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000176089061 402277740 /nfs/dbraw/zinc/27/77/40/402277740.db2.gz FKUHSFSWTZYUAT-UHFFFAOYSA-N 1 0 317.433 2.420 10 30 DEEERO C=CCC[C@H](NC(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000158107603 402302171 /nfs/dbraw/zinc/30/21/71/402302171.db2.gz DFMSXWMMRDBXFY-IRXDYDNUSA-N 1 0 317.433 2.324 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000176518888 402316754 /nfs/dbraw/zinc/31/67/54/402316754.db2.gz FUSRDQDNRLIMRS-HNNXBMFYSA-N 1 0 312.373 2.057 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000185224208 402336539 /nfs/dbraw/zinc/33/65/39/402336539.db2.gz RFLUSTHWDURCNI-GJZGRUSLSA-N 1 0 321.421 2.043 10 30 DEEERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cccc(C#N)c3)CC[C@H]21 ZINC000246789056 402545087 /nfs/dbraw/zinc/54/50/87/402545087.db2.gz IRESMESEKCYJDY-DLBZAZTESA-N 1 0 312.417 2.184 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000247065745 402555373 /nfs/dbraw/zinc/55/53/73/402555373.db2.gz HJULUWFPVMEMQM-PBHICJAKSA-N 1 0 312.417 2.055 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)Nc1ccccc1C#N ZINC000247411118 402566292 /nfs/dbraw/zinc/56/62/92/402566292.db2.gz QCAZNYMJQMFSOH-HOCLYGCPSA-N 1 0 312.417 2.055 10 30 DEEERO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190980977 402634628 /nfs/dbraw/zinc/63/46/28/402634628.db2.gz CWUPNFLWEVMYPP-AWEZNQCLSA-N 1 0 307.438 2.171 10 30 DEEERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000182920916 402727269 /nfs/dbraw/zinc/72/72/69/402727269.db2.gz WPXDYSIPGGCQFF-CXAGYDPISA-N 1 0 309.369 2.208 10 30 DEEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183778126 402796839 /nfs/dbraw/zinc/79/68/39/402796839.db2.gz QVYSIXHGPDOGIR-UHFFFAOYSA-N 1 0 316.449 2.018 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCc3ccccc3C2)CC1 ZINC000264455989 402880136 /nfs/dbraw/zinc/88/01/36/402880136.db2.gz ZWEMHVATZUOQFX-GOSISDBHSA-N 1 0 313.445 2.494 10 30 DEEERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271985848 402887913 /nfs/dbraw/zinc/88/79/13/402887913.db2.gz XVKAILQOBMYSQF-SUMWQHHRSA-N 1 0 309.413 2.454 10 30 DEEERO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000284430477 403267534 /nfs/dbraw/zinc/26/75/34/403267534.db2.gz YNQVBZJYNVHXEN-HKUYNNGSSA-N 1 0 313.445 2.222 10 30 DEEERO Cn1cc([C@H](CNc2ccc(Cl)c(C#N)n2)[NH+](C)C)cn1 ZINC000301293432 403612622 /nfs/dbraw/zinc/61/26/22/403612622.db2.gz QNMCITZUJCQHJM-ZDUSSCGKSA-N 1 0 304.785 2.055 10 30 DEEERO C[N@@H+]1CCO[C@H]2CN(c3ccc(C#N)cc3C(F)(F)F)C[C@H]21 ZINC000301659959 403660552 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C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000424136471 405017908 /nfs/dbraw/zinc/01/79/08/405017908.db2.gz KQMRQBWAXDFOMG-BHYGNILZSA-N 1 0 300.402 2.187 10 30 DEEERO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000408043072 405097169 /nfs/dbraw/zinc/09/71/69/405097169.db2.gz JIPOBLXEXQVSAH-RYRKJORJSA-N 1 0 318.392 2.449 10 30 DEEERO C#CCCC[NH2+][C@@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000367596007 405098504 /nfs/dbraw/zinc/09/85/04/405098504.db2.gz OQRDOXPYGHFGGA-CVEARBPZSA-N 1 0 322.449 2.404 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)NCCc1ccccc1 ZINC000424295771 405061454 /nfs/dbraw/zinc/06/14/54/405061454.db2.gz NHSMBCZEEULPPU-NJAFHUGGSA-N 1 0 316.445 2.305 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000424297309 405061673 /nfs/dbraw/zinc/06/16/73/405061673.db2.gz QESFHQRJYUONIF-XGUBFFRZSA-N 1 0 320.393 2.456 10 30 DEEERO C=CCOc1ccccc1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000361663532 405190622 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C=CC[NH+]1CCC(NC(=O)N2CCOC[C@@H]2CC2CCC2)CC1 ZINC000454550570 405362227 /nfs/dbraw/zinc/36/22/27/405362227.db2.gz RENHSUHUEVEWMK-KRWDZBQOSA-N 1 0 321.465 2.237 10 30 DEEERO CC(C)[C@H](CNC(=O)c1ccc(C#N)n1C)[NH+]1CCC(C)CC1 ZINC000448691171 405436914 /nfs/dbraw/zinc/43/69/14/405436914.db2.gz QAIAVQVFDILDEH-KRWDZBQOSA-N 1 0 316.449 2.383 10 30 DEEERO C=CC[C@H](CO)C[NH2+]Cc1snc(OC)c1Br ZINC000638830354 405698738 /nfs/dbraw/zinc/69/87/38/405698738.db2.gz PCERVDYTBCSUMY-QMMMGPOBSA-N 1 0 321.240 2.188 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCCC[C@@H]2CCCC[C@H]2O)CC1 ZINC000432394350 405758995 /nfs/dbraw/zinc/75/89/95/405758995.db2.gz IZALZFHYQFPFQJ-DOTOQJQBSA-N 1 0 323.481 2.267 10 30 DEEERO C=CCC[C@H]1NC(=O)N(C[C@H]2CC[N@@H+]2C2CCCCC2)C1=O ZINC000530200530 405775819 /nfs/dbraw/zinc/77/58/19/405775819.db2.gz GMDQXQSDVYUBNP-HUUCEWRRSA-N 1 0 305.422 2.280 10 30 DEEERO C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000637194689 406207172 /nfs/dbraw/zinc/20/71/72/406207172.db2.gz LLAKAGXQYCRMMB-CQSZACIVSA-N 1 0 323.481 2.084 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634704040 406234920 /nfs/dbraw/zinc/23/49/20/406234920.db2.gz FFZDHQGYQXSWAH-FUHWJXTLSA-N 1 0 305.418 2.253 10 30 DEEERO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CCC[NH+](C)C ZINC000537215164 406286370 /nfs/dbraw/zinc/28/63/70/406286370.db2.gz RMTGIHCVPCWGLQ-KRWDZBQOSA-N 1 0 317.433 2.372 10 30 DEEERO C=CCCC(C)(C)CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000637620573 406368256 /nfs/dbraw/zinc/36/82/56/406368256.db2.gz FEWZRMJWIUOMPH-HNNXBMFYSA-N 1 0 311.470 2.125 10 30 DEEERO C#CC[C@H](CC)NS(=O)(=O)c1ccc(C[NH2+]CCC)cc1 ZINC000131281745 196157597 /nfs/dbraw/zinc/15/75/97/196157597.db2.gz WYBYEKXWTZOZBS-HNNXBMFYSA-N 1 0 308.447 2.266 10 30 DEEERO CC(C)(C)S(=O)(=O)Nc1cc(Cl)ccc1C#CC[NH3+] ZINC000132032584 196220121 /nfs/dbraw/zinc/22/01/21/196220121.db2.gz SMYZGSOTEHYEPQ-UHFFFAOYSA-N 1 0 300.811 2.190 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000132433577 196255106 /nfs/dbraw/zinc/25/51/06/196255106.db2.gz UHEWMPCQHKSMSH-KCJUWKMLSA-N 1 0 306.163 2.163 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000132449992 196257132 /nfs/dbraw/zinc/25/71/32/196257132.db2.gz PBWCWONTKSISLR-SECBINFHSA-N 1 0 308.179 2.259 10 30 DEEERO [NH3+]CC#Cc1ccc(Cn2c(=O)cccc2C(F)(F)F)s1 ZINC000132805131 196285281 /nfs/dbraw/zinc/28/52/81/196285281.db2.gz LQHUBDDGVPBMJY-UHFFFAOYSA-N 1 0 312.316 2.287 10 30 DEEERO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195348089 225203888 /nfs/dbraw/zinc/20/38/88/225203888.db2.gz PSWFJWUJMHTEHV-OLZOCXBDSA-N 1 0 306.435 2.083 10 30 DEEERO COc1cccc(C(F)(F)CNC(=[NH2+])N2CCC[C@@H](C)C2)n1 ZINC000262671781 225280057 /nfs/dbraw/zinc/28/00/57/225280057.db2.gz RIVMZNMOFVHXCV-LLVKDONJSA-N 1 0 312.364 2.229 10 30 DEEERO Cn1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(C2CC2)n1 ZINC000329634757 225908360 /nfs/dbraw/zinc/90/83/60/225908360.db2.gz UALAELZLAGGUKM-AWEZNQCLSA-N 1 0 317.437 2.403 10 30 DEEERO C=CCNc1ncc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)s1 ZINC000622134209 422537418 /nfs/dbraw/zinc/53/74/18/422537418.db2.gz YZIGZWPHGBAXNS-LLVKDONJSA-N 1 0 308.451 2.344 10 30 DEEERO C=CCNc1ncc(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000567831292 424916321 /nfs/dbraw/zinc/91/63/21/424916321.db2.gz ZYILVEFAUGIPBE-NSHDSACASA-N 1 0 316.430 2.691 10 30 DEEERO C=C(C)C[NH+]1CCC(Nc2nc(C(=O)OC)c(C)s2)CC1 ZINC000434074496 425024613 /nfs/dbraw/zinc/02/46/13/425024613.db2.gz FEJKIZZIPIMPGO-UHFFFAOYSA-N 1 0 309.435 2.691 10 30 DEEERO C#C[C@H](C)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000365108415 275719786 /nfs/dbraw/zinc/71/97/86/275719786.db2.gz LDUADARRUJFNPT-PKSQDBQZSA-N 1 0 317.355 2.113 10 30 DEEERO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000174143016 276120417 /nfs/dbraw/zinc/12/04/17/276120417.db2.gz AWQSYOOUWCODQL-ZBFHGGJFSA-N 1 0 315.417 2.268 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](O)CC[C@H]1C)C(C)C ZINC000422185190 276891594 /nfs/dbraw/zinc/89/15/94/276891594.db2.gz YKDLCEUABNJZJG-IXDOHACOSA-N 1 0 323.481 2.240 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](O)CC[C@H]1C)C(C)C ZINC000422185186 276891599 /nfs/dbraw/zinc/89/15/99/276891599.db2.gz YKDLCEUABNJZJG-BRWVUGGUSA-N 1 0 323.481 2.240 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128223995 277770165 /nfs/dbraw/zinc/77/01/65/277770165.db2.gz GEMIBECTDAKAEC-HOTGVXAUSA-N 1 0 304.438 2.381 10 30 DEEERO C[C@H](CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCCCC1=O ZINC000328758658 289394666 /nfs/dbraw/zinc/39/46/66/289394666.db2.gz WBTCWRKJTHLPRP-RBSFLKMASA-N 1 0 307.438 2.361 10 30 DEEERO C[C@H]([C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F)N1CCOCC1 ZINC000358561428 290207495 /nfs/dbraw/zinc/20/74/95/290207495.db2.gz SEVGAKXKRTUERM-MELADBBJSA-N 1 0 305.397 2.457 10 30 DEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328685246 297091695 /nfs/dbraw/zinc/09/16/95/297091695.db2.gz FMSMDYPCIDUZER-MCIONIFRSA-N 1 0 320.437 2.111 10 30 DEEERO C=C(C)COCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000151541048 332205679 /nfs/dbraw/zinc/20/56/79/332205679.db2.gz ADQFLFXNWYPKID-UHFFFAOYSA-N 1 0 309.454 2.097 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000571076911 333657540 /nfs/dbraw/zinc/65/75/40/333657540.db2.gz SSRJZJPRDWXBFD-KSWRQPAISA-N 1 0 323.481 2.243 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000170830321 337082965 /nfs/dbraw/zinc/08/29/65/337082965.db2.gz TYMGCXCDXWQSSP-IRXDYDNUSA-N 1 0 322.497 2.031 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000514671488 337155886 /nfs/dbraw/zinc/15/58/86/337155886.db2.gz PZPOVZKHRUQUSB-STQMWFEESA-N 1 0 320.393 2.418 10 30 DEEERO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000529333305 340753117 /nfs/dbraw/zinc/75/31/17/340753117.db2.gz YIHWRCZDTQFRGY-MRXNPFEDSA-N 1 0 315.417 2.335 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000079252730 341255804 /nfs/dbraw/zinc/25/58/04/341255804.db2.gz MXYDFOBUQBQWFD-AWEZNQCLSA-N 1 0 323.462 2.166 10 30 DEEERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCC[C@@H](C#N)C2)ncn1 ZINC000248877078 341389125 /nfs/dbraw/zinc/38/91/25/341389125.db2.gz JTDKOAVOIRJFMK-QLFBSQMISA-N 1 0 314.437 2.159 10 30 DEEERO C=C(C)C[NH+]1CCC(NC(=O)NCCC2(COC)CC2)CC1 ZINC000566150795 341549213 /nfs/dbraw/zinc/54/92/13/341549213.db2.gz GXAAACNIDFRPSJ-UHFFFAOYSA-N 1 0 309.454 2.143 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NC[C@H]2CCCC[C@H]2C(F)(F)F)CCO1 ZINC000262298040 533786995 /nfs/dbraw/zinc/78/69/95/533786995.db2.gz JRVYGWYYGRRDNJ-QJPTWQEYSA-N 1 0 307.360 2.391 10 30 DEEERO C[C@H]1CN(C(=[NH2+])NCc2ccsc2Br)CCO1 ZINC000261682732 533787381 /nfs/dbraw/zinc/78/73/81/533787381.db2.gz HBJXJWODJGJWKA-QMMMGPOBSA-N 1 0 318.240 2.046 10 30 DEEERO C#CCOC[C@@H](O)C[N@@H+](CCCOC)Cc1cc(C)ccc1C ZINC000036097413 518297747 /nfs/dbraw/zinc/29/77/47/518297747.db2.gz PPHVUNCSFJFDKI-IBGZPJMESA-N 1 0 319.445 2.153 10 30 DEEERO Cc1noc([C@@H]2CC[C@H](CNC(=[NH2+])Nc3ccccc3)O2)n1 ZINC000262776561 534462035 /nfs/dbraw/zinc/46/20/35/534462035.db2.gz KFSKTMKWBOEHFN-OLZOCXBDSA-N 1 0 301.350 2.025 10 30 DEEERO N#CCSCCC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000136125134 534706641 /nfs/dbraw/zinc/70/66/41/534706641.db2.gz KXBLAHWFYUZCDK-CYBMUJFWSA-N 1 0 305.451 2.439 10 30 DEEERO [NH2+]=C(NC[C@@H]1CC12CC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000263133839 534833945 /nfs/dbraw/zinc/83/39/45/534833945.db2.gz NLLOWLBARKLKOD-ZDUSSCGKSA-N 1 0 302.397 2.063 10 30 DEEERO CC(C)(C)NC(=[NH2+])NCCN1CCc2c(Cl)cccc2C1 ZINC000189386991 526282607 /nfs/dbraw/zinc/28/26/07/526282607.db2.gz GAHPJKGSKCBFCE-UHFFFAOYSA-N 1 0 308.857 2.401 10 30 DEEERO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418578944 526311037 /nfs/dbraw/zinc/31/10/37/526311037.db2.gz QQZRWUUCLHKLLQ-NVXWUHKLSA-N 1 0 301.434 2.425 10 30 DEEERO C[NH+]=C(NC1CCC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000262015794 526344099 /nfs/dbraw/zinc/34/40/99/526344099.db2.gz XRKXMMBWSIOEBR-LBPRGKRZSA-N 1 0 307.829 2.031 10 30 DEEERO C[NH+]=C(NCC1(O)CCCCC1)N(C)Cc1csc(C)n1 ZINC000261646904 526351173 /nfs/dbraw/zinc/35/11/73/526351173.db2.gz DRTXKDODLVVKRQ-UHFFFAOYSA-N 1 0 310.467 2.154 10 30 DEEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N[C@@H]1CCC[C@@H]1C#N ZINC000261826647 526395714 /nfs/dbraw/zinc/39/57/14/526395714.db2.gz UZQLRGMSZFRLDO-YIDVYQOGSA-N 1 0 316.449 2.191 10 30 DEEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N(C)Cc1csc(C)n1 ZINC000261617366 526396279 /nfs/dbraw/zinc/39/62/79/526396279.db2.gz AXYZRVKXPSBZGZ-BFHYXJOUSA-N 1 0 322.478 2.272 10 30 DEEERO C=C(C)CCSCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000375641833 526459292 /nfs/dbraw/zinc/45/92/92/526459292.db2.gz LOJJLUXPZDEWRU-OAHLLOKOSA-N 1 0 314.495 2.159 10 30 DEEERO C=C(C)C[C@@H](C)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000358308585 526696614 /nfs/dbraw/zinc/69/66/14/526696614.db2.gz JRNNXAGJZVTLRE-CQSZACIVSA-N 1 0 303.406 2.341 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418135785 526797890 /nfs/dbraw/zinc/79/78/90/526797890.db2.gz PRWYXZICFFRETQ-COXVUDFISA-N 1 0 317.433 2.487 10 30 DEEERO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000299348013 526905353 /nfs/dbraw/zinc/90/53/53/526905353.db2.gz HFBIEBZKGQHNAJ-INIZCTEOSA-N 1 0 303.381 2.065 10 30 DEEERO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000294792530 527073059 /nfs/dbraw/zinc/07/30/59/527073059.db2.gz SUHDZQGSJRPRIR-WMZOPIPTSA-N 1 0 314.429 2.196 10 30 DEEERO C#CCOc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000247063080 527100991 /nfs/dbraw/zinc/10/09/91/527100991.db2.gz VKPWLVUAYHZRDN-SJORKVTESA-N 1 0 303.427 2.405 10 30 DEEERO C#CCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000362365152 527106077 /nfs/dbraw/zinc/10/60/77/527106077.db2.gz QMSGXUGZXQBLBZ-WMZOPIPTSA-N 1 0 301.386 2.126 10 30 DEEERO C=CC[C@@H]1[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)CCCC1(C)C ZINC000338363218 527119037 /nfs/dbraw/zinc/11/90/37/527119037.db2.gz QUAATYKDPIBFCD-GJZGRUSLSA-N 1 0 314.495 2.335 10 30 DEEERO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000358011065 527274292 /nfs/dbraw/zinc/27/42/92/527274292.db2.gz ASHPKUAXBUDCTB-KBPBESRZSA-N 1 0 306.410 2.446 10 30 DEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCC[C@H]1O)C(C)C ZINC000340955432 527648687 /nfs/dbraw/zinc/64/86/87/527648687.db2.gz MTCHYGGQJZJPGB-GVDBMIGSSA-N 1 0 323.481 2.145 10 30 DEEERO CC[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1 ZINC000334110407 527776460 /nfs/dbraw/zinc/77/64/60/527776460.db2.gz BGUYGXMFOBCOME-ZACQAIPSSA-N 1 0 312.417 2.029 10 30 DEEERO CCC[NH+](CCC)CCCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000371620707 528054582 /nfs/dbraw/zinc/05/45/82/528054582.db2.gz CPCWVVQDZXSJBL-QGZVFWFLSA-N 1 0 320.481 2.087 10 30 DEEERO CC[NH+]=C(NC1CCC1)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000261656003 528802520 /nfs/dbraw/zinc/80/25/20/528802520.db2.gz ADRNBFPXIXAHFB-INIZCTEOSA-N 1 0 320.481 2.275 10 30 DEEERO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192355204 528853223 /nfs/dbraw/zinc/85/32/23/528853223.db2.gz CHZKAECEJFOYSB-MAUKXSAKSA-N 1 0 315.417 2.414 10 30 DEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C#N)c1 ZINC000246405025 536167198 /nfs/dbraw/zinc/16/71/98/536167198.db2.gz RRVYFCUSIRSTBF-IRXDYDNUSA-N 1 0 312.417 2.326 10 30 DEEERO Cc1nc(C#N)cc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000308201727 624157048 /nfs/dbraw/zinc/15/70/48/624157048.db2.gz YXYNRUDDMGZZCQ-KRWDZBQOSA-N 1 0 307.401 2.367 10 30 DEEERO CCCCOc1ccc(CCNC(=[NH2+])NC[C@@H]2CCCO2)cc1 ZINC000066243500 625057449 /nfs/dbraw/zinc/05/74/49/625057449.db2.gz WNXAXDCHYMMGSU-KRWDZBQOSA-N 1 0 319.449 2.491 10 30 DEEERO CC(C)Oc1ccc(CCNC(=[NH2+])NC[C@@H]2CCCO2)cc1 ZINC000161469673 625087131 /nfs/dbraw/zinc/08/71/31/625087131.db2.gz PRCWCVHWEFNGRN-INIZCTEOSA-N 1 0 305.422 2.100 10 30 DEEERO COc1ccc(CCNC(=[NH2+])NC[C@H](C)C(C)C)cc1OC ZINC000178580520 625131663 /nfs/dbraw/zinc/13/16/63/625131663.db2.gz GJUBRPIRBNUBBM-ZDUSSCGKSA-N 1 0 307.438 2.443 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000121485480 650355014 /nfs/dbraw/zinc/35/50/14/650355014.db2.gz LEOHYYDZWPMOQI-CYBMUJFWSA-N 1 0 304.346 2.485 10 30 DEEERO C=C(Br)CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000747545618 638449211 /nfs/dbraw/zinc/44/92/11/638449211.db2.gz BATQDTYYNHPTQI-UHFFFAOYSA-N 1 0 322.166 2.297 10 30 DEEERO C=C(C)C[NH+]1CCC(N2C(=O)[C@H](CC(C)C)N(C)C2=O)CC1 ZINC000349149832 639625577 /nfs/dbraw/zinc/62/55/77/639625577.db2.gz OYMLTBKQIXDLNC-HNNXBMFYSA-N 1 0 307.438 2.336 10 30 DEEERO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CCOC)cc1 ZINC000163331612 639732900 /nfs/dbraw/zinc/73/29/00/639732900.db2.gz GHWZICOFYPFGHB-AEFFLSMTSA-N 1 0 316.445 2.460 10 30 DEEERO C#CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000740737996 640032634 /nfs/dbraw/zinc/03/26/34/640032634.db2.gz QBTVFSRDLWOCIU-UHFFFAOYSA-N 1 0 321.402 2.182 10 30 DEEERO C#Cc1cncc(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC000803122411 645610153 /nfs/dbraw/zinc/61/01/53/645610153.db2.gz QIBZHHKVSPTGGH-UHFFFAOYSA-N 1 0 311.429 2.471 10 30 DEEERO C=C(Br)CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000174376343 646805834 /nfs/dbraw/zinc/80/58/34/646805834.db2.gz JRYYNPAZBVBIBJ-VXGBXAGGSA-N 1 0 316.243 2.163 10 30 DEEERO C#CC[NH+](CC#C)CCC(=O)Nc1cccc(Br)c1 ZINC000072906849 649537974 /nfs/dbraw/zinc/53/79/74/649537974.db2.gz CGDNXNSFURZZNG-UHFFFAOYSA-N 1 0 319.202 2.346 10 30 DEEERO CCCC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000119424071 684081539 /nfs/dbraw/zinc/08/15/39/684081539.db2.gz YVBDXCRARNUXJL-HOTGVXAUSA-N 1 0 322.449 2.054 10 30 DEEERO Cc1nnc(-c2cccc(C#N)c2)n1CN1CCOC2(CCC2)C1 ZINC000129655763 684180905 /nfs/dbraw/zinc/18/09/05/684180905.db2.gz VFOXYWBWCYRKCQ-UHFFFAOYSA-N 1 0 323.400 2.338 10 30 DEEERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000159634941 684317849 /nfs/dbraw/zinc/31/78/49/684317849.db2.gz CTERKBZMLGSYRO-GOEBONIOSA-N 1 0 314.433 2.122 10 30 DEEERO CN(C)[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)c1ccccc1Cl ZINC000195522082 685101195 /nfs/dbraw/zinc/10/11/95/685101195.db2.gz GWLOXOLIXMIJRD-IUODEOHRSA-N 1 0 324.856 2.026 10 30 DEEERO CCOc1ncccc1CNC(=[NH2+])NCCc1cccs1 ZINC000303898917 685239053 /nfs/dbraw/zinc/23/90/53/685239053.db2.gz RJXNHVOWEXNZKX-UHFFFAOYSA-N 1 0 304.419 2.189 10 30 DEEERO CN(C)C(NCc1ccccc1)=[NH+]C[C@@H](O)Cc1ccccc1 ZINC000303986441 685242287 /nfs/dbraw/zinc/24/22/87/685242287.db2.gz UNBQSRDQOZWJCU-SFHVURJKSA-N 1 0 311.429 2.297 10 30 DEEERO C[NH+](C)Cc1cc(O[C@H]2CCN(c3ccc(C#N)cn3)C2)ccn1 ZINC000886068813 691996907 /nfs/dbraw/zinc/99/69/07/691996907.db2.gz WCROHEZRMVTFJW-KRWDZBQOSA-N 1 0 323.400 2.068 10 30 DEEERO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N+]12CCN(CC1)CC2 ZINC000015454174 717111739 /nfs/dbraw/zinc/11/17/39/717111739.db2.gz CZQFFHJZZDVNFA-CYBMUJFWSA-O 1 0 308.833 2.121 10 30 DEEERO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724067478 777234593 /nfs/dbraw/zinc/23/45/93/777234593.db2.gz IDVANPZDRQGWJD-RRFJBIMHSA-N 1 0 310.438 2.308 10 30 DEEERO CC#CC[C@H](CO)[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000717749426 799430344 /nfs/dbraw/zinc/43/03/44/799430344.db2.gz NIDPVYDKLNWMOA-OWCLPIDISA-N 1 0 324.465 2.386 10 30 DEEERO C=CC[C@H](CO)[NH2+][C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000720783909 1086131974 /nfs/dbraw/zinc/13/19/74/1086131974.db2.gz SUEGCDCTYXSMJT-DLBZAZTESA-N 1 0 318.417 2.314 10 30 DEEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000076735955 185036761 /nfs/dbraw/zinc/03/67/61/185036761.db2.gz OIKVCMVSQPCXQY-ZDUSSCGKSA-N 1 0 303.406 2.271 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000612597256 361869595 /nfs/dbraw/zinc/86/95/95/361869595.db2.gz KEHMNAWBFLVIBL-JTQLQIEISA-N 1 0 302.277 2.223 10 30 DEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(C#N)cc1 ZINC000079213653 185161542 /nfs/dbraw/zinc/16/15/42/185161542.db2.gz KYACAAOWRJZUOZ-MRXNPFEDSA-N 1 0 302.422 2.334 10 30 DEEERO C[N@@H+]1CC[C@H](NC(=O)NCCCCC#N)[C@H]1c1ccccc1 ZINC000245606961 529805713 /nfs/dbraw/zinc/80/57/13/529805713.db2.gz AGCBMFXYVVRYJW-JKSUJKDBSA-N 1 0 300.406 2.425 10 30 DEEERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ncccc1C#N ZINC000328635995 529948782 /nfs/dbraw/zinc/94/87/82/529948782.db2.gz VGQDGFXNWAYMAV-DOTOQJQBSA-N 1 0 324.432 2.206 10 30 DEEERO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000615479702 362618139 /nfs/dbraw/zinc/61/81/39/362618139.db2.gz HWFYBIQDTQBMSZ-IRXDYDNUSA-N 1 0 323.481 2.084 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1coc(OC)n1)C(C)C ZINC000625558459 365828477 /nfs/dbraw/zinc/82/84/77/365828477.db2.gz VNXZKECASMHYOI-AWEZNQCLSA-N 1 0 307.394 2.112 10 30 DEEERO COc1ccc(C#CCO)cc1C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000070384927 190883297 /nfs/dbraw/zinc/88/32/97/190883297.db2.gz FLVDRKFZEXTXGD-KBPBESRZSA-N 1 0 305.443 2.365 10 30 DEEERO CC[NH+](CC)CCN1C(=O)c2cc(OC)cc(OC)c2C1C#N ZINC000071680712 191007675 /nfs/dbraw/zinc/00/76/75/191007675.db2.gz LPFLMTQGEYWRIF-CQSZACIVSA-N 1 0 317.389 2.066 10 30 DEEERO C[C@H]1SCCN(C(=O)c2ccc(C#CC[NH3+])c(F)c2)[C@@H]1C ZINC000133675739 186005858 /nfs/dbraw/zinc/00/58/58/186005858.db2.gz KMVSEAYUSANOAB-VXGBXAGGSA-N 1 0 306.406 2.102 10 30 DEEERO COc1csc(C(=O)Nc2ccc(F)c(C#CC[NH3+])c2)c1 ZINC000164370930 186157550 /nfs/dbraw/zinc/15/75/50/186157550.db2.gz GFCHFISYZCBJDW-UHFFFAOYSA-N 1 0 304.346 2.458 10 30 DEEERO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1ccsc1 ZINC000049180558 354358537 /nfs/dbraw/zinc/35/85/37/354358537.db2.gz GWYOJGAGLZAVAE-HNNXBMFYSA-N 1 0 302.399 2.192 10 30 DEEERO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccccc2OC)CC1 ZINC000057127656 354557254 /nfs/dbraw/zinc/55/72/54/354557254.db2.gz QHUQTCQESRSPNK-CQSZACIVSA-N 1 0 300.402 2.218 10 30 DEEERO COc1ccc2c(c1O)[C@]13CC[N@H+](C)[C@H](C2)[C@@H]1C=C(C)C(=O)C3 ZINC000080590208 355372777 /nfs/dbraw/zinc/37/27/77/355372777.db2.gz LJVLFDMWKHLNTB-KSMMKXTCSA-N 1 0 313.397 2.434 10 30 DEEERO C=CCCC[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000091591082 355601298 /nfs/dbraw/zinc/60/12/98/355601298.db2.gz GGAXXHRWSGFXAL-SJORKVTESA-N 1 0 307.482 2.360 10 30 DEEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000595602739 358497526 /nfs/dbraw/zinc/49/75/26/358497526.db2.gz KBJOQMUTDQEONJ-HOTGVXAUSA-N 1 0 302.422 2.367 10 30 DEEERO C=CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000182126749 356110811 /nfs/dbraw/zinc/11/08/11/356110811.db2.gz AXYNUOMTZWXDTQ-IAGOWNOFSA-N 1 0 315.417 2.458 10 30 DEEERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593373093 358063664 /nfs/dbraw/zinc/06/36/64/358063664.db2.gz AFLPCDBDPKBQGZ-PXAZEXFGSA-N 1 0 310.401 2.066 10 30 DEEERO Cc1cnn(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180175693 199126857 /nfs/dbraw/zinc/12/68/57/199126857.db2.gz PXFDSPWIZGSDFG-UHFFFAOYSA-N 1 0 320.400 2.254 10 30 DEEERO C=CC[C@]1(C(=O)Nc2cccc(CC(=O)OCC)c2)CCC[NH2+]1 ZINC000595937587 358584004 /nfs/dbraw/zinc/58/40/04/358584004.db2.gz HLHGNDLBZMQFCD-GOSISDBHSA-N 1 0 316.401 2.429 10 30 DEEERO C=CCCSCC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000597183435 358846924 /nfs/dbraw/zinc/84/69/24/358846924.db2.gz BRESFGHWERBANO-UHFFFAOYSA-N 1 0 304.415 2.182 10 30 DEEERO C=CC[C@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602612653 360457829 /nfs/dbraw/zinc/45/78/29/360457829.db2.gz JIAROUPZFUWFJS-SSDOTTSWSA-N 1 0 321.196 2.445 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@@H]2CCCC[C@H]2CC)CC1 ZINC000628125489 366729914 /nfs/dbraw/zinc/72/99/14/366729914.db2.gz BOLBNTBKCZGFKU-SJORKVTESA-N 1 0 307.482 2.123 10 30 DEEERO CC1(C#N)CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000611553577 361628277 /nfs/dbraw/zinc/62/82/77/361628277.db2.gz AILMJGWRDOSYBD-INIZCTEOSA-N 1 0 313.401 2.118 10 30 DEEERO C=CCOCC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611559968 361631142 /nfs/dbraw/zinc/63/11/42/361631142.db2.gz YFMKQUAQXYTUPT-GFCCVEGCSA-N 1 0 307.350 2.104 10 30 DEEERO C=CC(C)(C)CCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000623404240 365017332 /nfs/dbraw/zinc/01/73/32/365017332.db2.gz VKJTZZGAPABOLJ-GJZGRUSLSA-N 1 0 311.470 2.387 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)c1cncnc1)C(C)C ZINC000629947945 367389398 /nfs/dbraw/zinc/38/93/98/367389398.db2.gz YXIHTCZOVPNZRI-WBVHZDCISA-N 1 0 316.449 2.395 10 30 DEEERO C=CC[C@@H](Cc1ccccc1)n1cc(C[C@H]([NH3+])COC)nn1 ZINC000630591701 367745151 /nfs/dbraw/zinc/74/51/51/367745151.db2.gz FILIVWTWANWJOR-RDJZCZTQSA-N 1 0 300.406 2.154 10 30 DEEERO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000631743943 368365199 /nfs/dbraw/zinc/36/51/99/368365199.db2.gz HVVVNDBEIGZXML-BPLDGKMQSA-N 1 0 300.468 2.324 10 30 DEEERO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc(C#N)n1C ZINC000451727545 243380060 /nfs/dbraw/zinc/38/00/60/243380060.db2.gz ZXLWMNJWFLVAIF-UHFFFAOYSA-N 1 0 314.389 2.084 10 30 DEEERO CCC[N@H+](C)C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093742117 193298038 /nfs/dbraw/zinc/29/80/38/193298038.db2.gz HSPRPGCHFWRSQY-INIZCTEOSA-N 1 0 311.433 2.370 10 30 DEEERO CC(C)CCS(=O)(=O)Nc1ccc(Cl)c(C#CC[NH3+])c1 ZINC000094671782 193391271 /nfs/dbraw/zinc/39/12/71/193391271.db2.gz OMGJDKCKHPSDIY-UHFFFAOYSA-N 1 0 314.838 2.438 10 30 DEEERO C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(C#N)cc1F ZINC000453265749 245033726 /nfs/dbraw/zinc/03/37/26/245033726.db2.gz NVZIZZPSKTZRDP-UKRRQHHQSA-N 1 0 305.397 2.195 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cc1 ZINC000453614473 245217507 /nfs/dbraw/zinc/21/75/07/245217507.db2.gz FAEFKCAXVSKWSV-RDJZCZTQSA-N 1 0 300.402 2.494 10 30 DEEERO C=CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000160175389 197391621 /nfs/dbraw/zinc/39/16/21/197391621.db2.gz GMESQKJYHKXTSS-LBPRGKRZSA-N 1 0 307.781 2.309 10 30 DEEERO N#C[C@@H](c1ccc(Br)s1)N1CCC[NH2+]CC1 ZINC000041678850 183215867 /nfs/dbraw/zinc/21/58/67/183215867.db2.gz RKIRHOCBTDLGPT-VIFPVBQESA-N 1 0 300.225 2.371 10 30 DEEERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N(C)C[C@@H](C)C#N)c1 ZINC000042461393 183272685 /nfs/dbraw/zinc/27/26/85/183272685.db2.gz QMRWUVFNQAWNAI-SWLSCSKDSA-N 1 0 309.435 2.137 10 30 DEEERO Cc1ncsc1C(=O)N(C)Cc1cc(C#CC[NH3+])cs1 ZINC000042400659 183264079 /nfs/dbraw/zinc/26/40/79/183264079.db2.gz FWPDQWJFIDYXDU-UHFFFAOYSA-N 1 0 305.428 2.095 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)N(CC(F)(F)F)C2CC2)s1 ZINC000042797963 183310480 /nfs/dbraw/zinc/31/04/80/183310480.db2.gz ZRENBHNORVXXGX-UHFFFAOYSA-N 1 0 302.321 2.225 10 30 DEEERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N(CC#N)CC#N ZINC000043090962 183335968 /nfs/dbraw/zinc/33/59/68/183335968.db2.gz BZQXMQNQKDEENB-GWCFXTLKSA-N 1 0 307.195 2.187 10 30 DEEERO CC(C)(C)[NH+]1CCN(Cc2ccc(C#CCCO)s2)CC1 ZINC000043678476 183378971 /nfs/dbraw/zinc/37/89/71/183378971.db2.gz USJVVZLIANAKSL-UHFFFAOYSA-N 1 0 306.475 2.398 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000105896364 194161786 /nfs/dbraw/zinc/16/17/86/194161786.db2.gz BTRIRFGFLKWLJZ-INIZCTEOSA-N 1 0 316.449 2.283 10 30 DEEERO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000285023516 218260835 /nfs/dbraw/zinc/26/08/35/218260835.db2.gz ZGHNTXGQFWJHME-SZMVWBNQSA-N 1 0 318.392 2.449 10 30 DEEERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccccc2OCC#N)[C@@H](C)C1 ZINC000158985695 197315620 /nfs/dbraw/zinc/31/56/20/197315620.db2.gz RWHSLQAFAOAYEX-ZFWWWQNUSA-N 1 0 301.390 2.047 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NC[C@@H]2CCCCS2)c(F)c1 ZINC000156566675 197123288 /nfs/dbraw/zinc/12/32/88/197123288.db2.gz IMBQTQNHTDDQRJ-ZDUSSCGKSA-N 1 0 306.406 2.151 10 30 DEEERO CN(Cc1cccc(C#CC[NH3+])c1)C(=O)[C@H]1CCCCS1 ZINC000156280279 197100890 /nfs/dbraw/zinc/10/08/90/197100890.db2.gz VNEIDEXSTFEKLC-MRXNPFEDSA-N 1 0 302.443 2.241 10 30 DEEERO N#Cc1cccc(C[N@@H+]2CC[C@H]3OCCN(CC4CC4)[C@@H]3C2)c1 ZINC000247652460 257118135 /nfs/dbraw/zinc/11/81/35/257118135.db2.gz NWLHDHWJZXYHSV-RTBURBONSA-N 1 0 311.429 2.243 10 30 DEEERO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000192146687 533341263 /nfs/dbraw/zinc/34/12/63/533341263.db2.gz MDGXTPUSQBYAOJ-CQSZACIVSA-N 1 0 314.410 2.036 10 30 DEEERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)s1)CC2 ZINC000183319291 144927408 /nfs/dbraw/zinc/92/74/08/144927408.db2.gz UEXCINSUUFSWIF-QWRGUYRKSA-N 1 0 301.419 2.439 10 30 DEEERO N#Cc1ccc(C2(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CC2)cc1 ZINC000189553562 145029589 /nfs/dbraw/zinc/02/95/89/145029589.db2.gz GIXQCIRTNYELJM-KRWDZBQOSA-N 1 0 309.413 2.287 10 30 DEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000247310069 145132957 /nfs/dbraw/zinc/13/29/57/145132957.db2.gz LWIZMJQYRJLXLN-WMLDXEAASA-N 1 0 314.433 2.428 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000126677390 401703965 /nfs/dbraw/zinc/70/39/65/401703965.db2.gz UAOFUBPDSXQFOP-RYUDHWBXSA-N 1 0 307.369 2.185 10 30 DEEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000076801683 401799843 /nfs/dbraw/zinc/79/98/43/401799843.db2.gz HLUXMCUUOIYIKR-CQSZACIVSA-N 1 0 303.406 2.299 10 30 DEEERO CC[NH+](CC)CCCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000075693372 401766917 /nfs/dbraw/zinc/76/69/17/401766917.db2.gz ZEWGCEHYUIMZJD-AWEZNQCLSA-N 1 0 303.406 2.174 10 30 DEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1sccc1C#N ZINC000113268402 401773748 /nfs/dbraw/zinc/77/37/48/401773748.db2.gz ZWRHHEHAXYHGMS-GXTWGEPZSA-N 1 0 318.446 2.117 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116310462 401848691 /nfs/dbraw/zinc/84/86/91/401848691.db2.gz YKRDAAHJTCLHHX-GJZGRUSLSA-N 1 0 304.438 2.023 10 30 DEEERO C=C[C@](C)(CC)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000135029751 401924399 /nfs/dbraw/zinc/92/43/99/401924399.db2.gz AVBNCVUSJVUJSI-SJLPKXTDSA-N 1 0 307.482 2.217 10 30 DEEERO Cn1cc(C#N)cc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000081538407 401896681 /nfs/dbraw/zinc/89/66/81/401896681.db2.gz MRHBAAUAGDXZMV-QGZVFWFLSA-N 1 0 322.412 2.291 10 30 DEEERO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)n2c1 ZINC000121210560 402020595 /nfs/dbraw/zinc/02/05/95/402020595.db2.gz UNZVJWPQLCIYLW-CQSZACIVSA-N 1 0 306.373 2.309 10 30 DEEERO CC(C)C[C@@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)[NH+](C)C ZINC000103339828 402185420 /nfs/dbraw/zinc/18/54/20/402185420.db2.gz CZYXYEZZRVUMQW-HOCLYGCPSA-N 1 0 317.433 2.418 10 30 DEEERO CC(C)[C@@](C)(O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000184948501 402311990 /nfs/dbraw/zinc/31/19/90/402311990.db2.gz HGURYUQVPQRWGN-IBGZPJMESA-N 1 0 315.461 2.473 10 30 DEEERO CSCCCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000229245654 402341220 /nfs/dbraw/zinc/34/12/20/402341220.db2.gz YMQQBVPQLMRQGA-UHFFFAOYSA-N 1 0 312.460 2.065 10 30 DEEERO CC(C)C[C@@H](CO)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000185320507 402343178 /nfs/dbraw/zinc/34/31/78/402343178.db2.gz OPVVBTPGTCDUET-INIZCTEOSA-N 1 0 303.406 2.226 10 30 DEEERO CCN(C[C@@H](C)C#N)C(=O)CN(C)Cc1ccc(Cl)nc1 ZINC000177633528 402422369 /nfs/dbraw/zinc/42/23/69/402422369.db2.gz XMJSFUQMMBDWSC-LBPRGKRZSA-N 1 0 308.813 2.175 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000177694707 402427463 /nfs/dbraw/zinc/42/74/63/402427463.db2.gz RHEMUYZULGVPSQ-AWEZNQCLSA-N 1 0 318.421 2.123 10 30 DEEERO C=CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000246904021 402549191 /nfs/dbraw/zinc/54/91/91/402549191.db2.gz RNTHIEPDCYZARB-IAGOWNOFSA-N 1 0 322.497 2.151 10 30 DEEERO CO[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[C@H]1C ZINC000251917409 402651193 /nfs/dbraw/zinc/65/11/93/402651193.db2.gz SDFZATZMVOPDJU-XOKHGSTOSA-N 1 0 313.401 2.020 10 30 DEEERO C=CCOc1ccc(/C=C\C(=O)NCC[C@@H](C)[NH3+])cc1OC ZINC000255497775 402688958 /nfs/dbraw/zinc/68/89/58/402688958.db2.gz BWGFSSFKZRGJHB-FWPCIQOSSA-N 1 0 304.390 2.127 10 30 DEEERO C=CCc1cc(C[NH2+][C@@](C)(CCO)COC)cc(OC)c1O ZINC000175852847 402837849 /nfs/dbraw/zinc/83/78/49/402837849.db2.gz UAKFAVDANGDCHY-KRWDZBQOSA-N 1 0 309.406 2.006 10 30 DEEERO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000282336478 403144211 /nfs/dbraw/zinc/14/42/11/403144211.db2.gz RHYDTJCLGGKEOC-UHFFFAOYSA-N 1 0 324.432 2.119 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000346178105 403577677 /nfs/dbraw/zinc/57/76/77/403577677.db2.gz JJYKOJJAGBPUSE-IRXDYDNUSA-N 1 0 320.408 2.355 10 30 DEEERO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000288249745 403743085 /nfs/dbraw/zinc/74/30/85/403743085.db2.gz STMOBKPPOAJECV-MOPGFXCFSA-N 1 0 323.440 2.277 10 30 DEEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(I)cc1 ZINC000295349795 403875640 /nfs/dbraw/zinc/87/56/40/403875640.db2.gz IMDICKQGHZRYLZ-LBPRGKRZSA-N 1 0 317.170 2.318 10 30 DEEERO C=CCOc1ccccc1C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C ZINC000362109456 403926598 /nfs/dbraw/zinc/92/65/98/403926598.db2.gz OUXDDTXHPVWJSD-GOSISDBHSA-N 1 0 321.417 2.434 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](c3cc(C)n[nH]3)C2)C1 ZINC000328745027 404141646 /nfs/dbraw/zinc/14/16/46/404141646.db2.gz PDQBNERLFQUIMV-GJZGRUSLSA-N 1 0 319.453 2.296 10 30 DEEERO C[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1C1CC1)[NH+]1CCC(C)CC1 ZINC000328894042 404171231 /nfs/dbraw/zinc/17/12/31/404171231.db2.gz VMTHAXRPSKLWSK-FVQBIDKESA-N 1 0 309.454 2.178 10 30 DEEERO C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000328977026 404188901 /nfs/dbraw/zinc/18/89/01/404188901.db2.gz QIHOLCKSOUTLAJ-TUVASFSCSA-N 1 0 303.406 2.414 10 30 DEEERO Cn1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C2CC2)n1 ZINC000329627786 404399312 /nfs/dbraw/zinc/39/93/12/404399312.db2.gz PMIBPOHWKHHOBI-UKRRQHHQSA-N 1 0 317.437 2.259 10 30 DEEERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329794600 404454703 /nfs/dbraw/zinc/45/47/03/404454703.db2.gz WAYACQZVNCHLMW-RHJCGQNESA-N 1 0 324.465 2.361 10 30 DEEERO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000330228408 404592848 /nfs/dbraw/zinc/59/28/48/404592848.db2.gz VHVNHFNWRSNZOQ-IIAWOOMASA-N 1 0 320.437 2.186 10 30 DEEERO C[C@H]1CN(c2ncc(Br)cc2C#N)C[C@H]1[NH+](C)C ZINC000297635464 404573289 /nfs/dbraw/zinc/57/32/89/404573289.db2.gz XJVGHAWBCYMORV-JOYOIKCWSA-N 1 0 309.211 2.102 10 30 DEEERO C=C(C)CN(CC)C(=O)CN1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373966501 404658558 /nfs/dbraw/zinc/65/85/58/404658558.db2.gz BMSUBFKJPIOHJD-SOLBZPMBSA-N 1 0 324.465 2.069 10 30 DEEERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000330262092 404605586 /nfs/dbraw/zinc/60/55/86/404605586.db2.gz UREFPLNYVAKYCA-IIQDSTNVSA-N 1 0 307.438 2.073 10 30 DEEERO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1(O)CCOCC1 ZINC000352922293 404694034 /nfs/dbraw/zinc/69/40/34/404694034.db2.gz PIIVWNKQLQSAEG-UHFFFAOYSA-N 1 0 307.438 2.384 10 30 DEEERO C#CCOc1ccccc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000360052359 404813744 /nfs/dbraw/zinc/81/37/44/404813744.db2.gz BBGRCFUGXBHJLX-SJLPKXTDSA-N 1 0 301.386 2.126 10 30 DEEERO C=CCCC[C@H](C)[NH+]1CCC(n2cc(C(=O)OC)nn2)CC1 ZINC000353582295 404871783 /nfs/dbraw/zinc/87/17/83/404871783.db2.gz QLRGOEQKQACGFH-ZDUSSCGKSA-N 1 0 306.410 2.446 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451343810 404961586 /nfs/dbraw/zinc/96/15/86/404961586.db2.gz PZZDZUTVIGVIRG-BRWVUGGUSA-N 1 0 306.450 2.203 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000424481608 405104925 /nfs/dbraw/zinc/10/49/25/405104925.db2.gz RJDSHVCDOALMLF-HOCLYGCPSA-N 1 0 309.454 2.189 10 30 DEEERO C=CCC1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCOCC1 ZINC000424667668 405144434 /nfs/dbraw/zinc/14/44/34/405144434.db2.gz VNNWRZIWGZKOIA-MRXNPFEDSA-N 1 0 306.450 2.446 10 30 DEEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000633207548 405502742 /nfs/dbraw/zinc/50/27/42/405502742.db2.gz FKDBJXVFJCEPBQ-HOTGVXAUSA-N 1 0 323.481 2.483 10 30 DEEERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc(F)c3C#N)[C@@H]2C1 ZINC000577809031 405516395 /nfs/dbraw/zinc/51/63/95/405516395.db2.gz RKMRINSOJLAECX-LESCRADOSA-N 1 0 315.392 2.434 10 30 DEEERO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1 ZINC000449367173 405527843 /nfs/dbraw/zinc/52/78/43/405527843.db2.gz ZUGXJPDMKQUGFQ-ROUUACIJSA-N 1 0 302.418 2.156 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)c2cccc3cc(=O)[nH]cc32)CC1 ZINC000528447969 405612409 /nfs/dbraw/zinc/61/24/09/405612409.db2.gz JDYIOJWEEFVHBH-UHFFFAOYSA-N 1 0 311.385 2.321 10 30 DEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](CO)c1sccc1C ZINC000494629448 405731791 /nfs/dbraw/zinc/73/17/91/405731791.db2.gz GYNASALJBOEFAH-KGLIPLIRSA-N 1 0 310.463 2.493 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCCC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000432394353 405759053 /nfs/dbraw/zinc/75/90/53/405759053.db2.gz IZALZFHYQFPFQJ-RDJZCZTQSA-N 1 0 323.481 2.267 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000450277643 405812830 /nfs/dbraw/zinc/81/28/30/405812830.db2.gz PPQHJGATPIBVAS-NCOADZHNSA-N 1 0 300.402 2.139 10 30 DEEERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(C#N)n1C ZINC000450426826 405891262 /nfs/dbraw/zinc/89/12/62/405891262.db2.gz QXUZTOKTOQFMDS-CQSZACIVSA-N 1 0 310.401 2.147 10 30 DEEERO C=CCCC1(C[NH2+]C[C@@H](O)CC2(O)CCOCC2)CCCC1 ZINC000634649128 406206509 /nfs/dbraw/zinc/20/65/09/406206509.db2.gz HIJQFZGNDUOBSL-INIZCTEOSA-N 1 0 311.466 2.395 10 30 DEEERO C=CCN(CCOC)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000519612179 406222073 /nfs/dbraw/zinc/22/20/73/406222073.db2.gz ZHZUWTDKPFQDBN-UHFFFAOYSA-N 1 0 317.433 2.267 10 30 DEEERO C=CCOc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634980743 406384181 /nfs/dbraw/zinc/38/41/81/406384181.db2.gz MOQDPKFKXVJTSL-HNNXBMFYSA-N 1 0 309.431 2.308 10 30 DEEERO C=CCCCCCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000576291496 406829800 /nfs/dbraw/zinc/82/98/00/406829800.db2.gz JUYFWYFYTKHIFD-UHFFFAOYSA-N 1 0 303.406 2.255 10 30 DEEERO C#CC[C@@H](CC)NS(=O)(=O)c1ccc(C[NH2+]CCC)cc1 ZINC000131281985 196156898 /nfs/dbraw/zinc/15/68/98/196156898.db2.gz WYBYEKXWTZOZBS-OAHLLOKOSA-N 1 0 308.447 2.266 10 30 DEEERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000132217918 196236118 /nfs/dbraw/zinc/23/61/18/196236118.db2.gz LWIZMJQYRJLXLN-YOEHRIQHSA-N 1 0 314.433 2.428 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000132433149 196255133 /nfs/dbraw/zinc/25/51/33/196255133.db2.gz UHEWMPCQHKSMSH-LDYMZIIASA-N 1 0 306.163 2.163 10 30 DEEERO CC[NH2+][C@H](C)c1ccc(OCC(=O)NCCC#N)c(Cl)c1 ZINC000132478749 196258463 /nfs/dbraw/zinc/25/84/63/196258463.db2.gz CHROWRINCGMWAL-LLVKDONJSA-N 1 0 309.797 2.419 10 30 DEEERO N#Cc1cc(Br)ccc1N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000133028094 196306403 /nfs/dbraw/zinc/30/64/03/196306403.db2.gz BCTSXASZJULBOZ-LBPRGKRZSA-N 1 0 320.190 2.178 10 30 DEEERO C#CC[C@@H](CC)NS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000133224033 196322290 /nfs/dbraw/zinc/32/22/90/196322290.db2.gz SJGPSCLOOZAGCR-CYBMUJFWSA-N 1 0 312.435 2.105 10 30 DEEERO C[C@H]1CCCN(C(=[NH2+])NCCc2cc(F)cc3c2OCOC3)C1 ZINC000262020140 225264279 /nfs/dbraw/zinc/26/42/79/225264279.db2.gz XOKIRMIMCFXPQG-LBPRGKRZSA-N 1 0 321.396 2.281 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NC[C@H]1COc2ccccc2O1 ZINC000263228701 225293569 /nfs/dbraw/zinc/29/35/69/225293569.db2.gz HHBKGFPEFTUQQB-LBPRGKRZSA-N 1 0 317.414 2.035 10 30 DEEERO [NH2+]=C(NCCc1cc(F)cc2c1OCOC2)NC1CCCC1 ZINC000261689599 225253095 /nfs/dbraw/zinc/25/30/95/225253095.db2.gz BCJQJUZBIQKALU-UHFFFAOYSA-N 1 0 307.369 2.082 10 30 DEEERO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000333733350 226109858 /nfs/dbraw/zinc/10/98/58/226109858.db2.gz IBIWYYJQEHUFQZ-IMJJTQAJSA-N 1 0 304.438 2.100 10 30 DEEERO C=CCN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[C@@H](C)COC ZINC000637469637 424853344 /nfs/dbraw/zinc/85/33/44/424853344.db2.gz DFUFBNYNCFKWFC-GOEBONIOSA-N 1 0 309.454 2.236 10 30 DEEERO CC[N@@H+]1CC[C@H]2OCCN(c3nc(C)c(C#N)cc3Cl)[C@H]2C1 ZINC000292821309 276236210 /nfs/dbraw/zinc/23/62/10/276236210.db2.gz OWWQOMGYPHVXMD-LSDHHAIUSA-N 1 0 320.824 2.215 10 30 DEEERO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000329158186 277061590 /nfs/dbraw/zinc/06/15/90/277061590.db2.gz CRUWHVXWQLEXRC-SPYBWZPUSA-N 1 0 324.428 2.466 10 30 DEEERO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128223787 277770235 /nfs/dbraw/zinc/77/02/35/277770235.db2.gz GEMIBECTDAKAEC-CVEARBPZSA-N 1 0 304.438 2.381 10 30 DEEERO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000195523116 279551216 /nfs/dbraw/zinc/55/12/16/279551216.db2.gz FNKMPQUGUQBGGW-ULQDDVLXSA-N 1 0 317.433 2.238 10 30 DEEERO N#CCSCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000363476539 294810540 /nfs/dbraw/zinc/81/05/40/294810540.db2.gz WRMZHHVOFXBJCY-HNNXBMFYSA-N 1 0 309.479 2.358 10 30 DEEERO N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000333245706 294839620 /nfs/dbraw/zinc/83/96/20/294839620.db2.gz BRMYOGXKOWIUAA-ZWNOBZJWSA-N 1 0 302.353 2.285 10 30 DEEERO C=CCNC(=O)CN1CC[NH+](C[C@@H]2CCC[C@@H](CC)C2)CC1 ZINC000346138033 335380361 /nfs/dbraw/zinc/38/03/61/335380361.db2.gz JSKPWOAMXSOYAZ-IAGOWNOFSA-N 1 0 307.482 2.123 10 30 DEEERO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000072716134 341100602 /nfs/dbraw/zinc/10/06/02/341100602.db2.gz VGARGAQINVXVRD-WBVHZDCISA-N 1 0 321.465 2.418 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)NCCc2ncc(CC)s2)CC1 ZINC000075811608 341183498 /nfs/dbraw/zinc/18/34/98/341183498.db2.gz PGRKNWTZNXSJJL-UHFFFAOYSA-N 1 0 322.478 2.198 10 30 DEEERO N#CCCCOc1cccc(C[NH2+]C[C@@]2(CCO)CCOC2)c1 ZINC000134426085 341215097 /nfs/dbraw/zinc/21/50/97/341215097.db2.gz VYKNBMZMKDLREY-GOSISDBHSA-N 1 0 318.417 2.248 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000565210004 341520194 /nfs/dbraw/zinc/52/01/94/341520194.db2.gz OLPUKADLZMOUDQ-IRXDYDNUSA-N 1 0 302.418 2.112 10 30 DEEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000572586743 341629847 /nfs/dbraw/zinc/62/98/47/341629847.db2.gz MIRFMTZFNCJVSV-MAZHCROVSA-N 1 0 303.406 2.239 10 30 DEEERO COc1ccc(NC(=[NH2+])NCCc2cn(C)cn2)cc1Cl ZINC000263083862 533988567 /nfs/dbraw/zinc/98/85/67/533988567.db2.gz IAODFZRUNLBYMD-UHFFFAOYSA-N 1 0 307.785 2.051 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])NCCSc2ccc(Cl)cc2)CCO1 ZINC000262480133 534271250 /nfs/dbraw/zinc/27/12/50/534271250.db2.gz RGXDIAGUFWPOIJ-LLVKDONJSA-N 1 0 313.854 2.468 10 30 DEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000246863228 519695551 /nfs/dbraw/zinc/69/55/51/519695551.db2.gz FRFDKXIJPBOXOX-IINYFYTJSA-N 1 0 307.344 2.295 10 30 DEEERO C[NH+]=C(NC[C@@H](O)c1cccc(Cl)c1)N(C)Cc1ccon1 ZINC000261672569 526368874 /nfs/dbraw/zinc/36/88/74/526368874.db2.gz CFHMGOPPIZTJGA-CQSZACIVSA-N 1 0 322.796 2.069 10 30 DEEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000262784830 526376476 /nfs/dbraw/zinc/37/64/76/526376476.db2.gz MCLOULUXWWQQSH-YFKTTZPYSA-N 1 0 307.360 2.043 10 30 DEEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418135787 526775909 /nfs/dbraw/zinc/77/59/09/526775909.db2.gz PRWYXZICFFRETQ-XKQJLSEDSA-N 1 0 317.433 2.487 10 30 DEEERO C=CCOc1ccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000418173559 526876896 /nfs/dbraw/zinc/87/68/96/526876896.db2.gz YOCHGSWBCMIJCL-INIZCTEOSA-N 1 0 315.417 2.287 10 30 DEEERO C=CCC1(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)CCC1 ZINC000188717436 527039569 /nfs/dbraw/zinc/03/95/69/527039569.db2.gz XRNPQGJBIAUGRP-HNNXBMFYSA-N 1 0 308.466 2.284 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000183643115 527090370 /nfs/dbraw/zinc/09/03/70/527090370.db2.gz PPPVRFPFSSXLKL-WBVHZDCISA-N 1 0 319.449 2.133 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000182871730 527091140 /nfs/dbraw/zinc/09/11/40/527091140.db2.gz HABUVMZAFNHSAQ-KRWDZBQOSA-N 1 0 319.449 2.265 10 30 DEEERO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000415461983 527257716 /nfs/dbraw/zinc/25/77/16/527257716.db2.gz FRXMLKIRBNCIOO-UHFFFAOYSA-N 1 0 317.433 2.331 10 30 DEEERO C=CCn1c(CC2CC2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000337901942 527313538 /nfs/dbraw/zinc/31/35/38/527313538.db2.gz JSUCKQVHTPFZLM-HNNXBMFYSA-N 1 0 301.438 2.091 10 30 DEEERO C#Cc1ccc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000296587832 527435318 /nfs/dbraw/zinc/43/53/18/527435318.db2.gz GGMGIBGSYRPFPT-QAPCUYQASA-N 1 0 311.429 2.436 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000424935823 527497107 /nfs/dbraw/zinc/49/71/07/527497107.db2.gz ZKZDZZLAZSZPGT-ULQDDVLXSA-N 1 0 302.418 2.387 10 30 DEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373935700 527627855 /nfs/dbraw/zinc/62/78/55/527627855.db2.gz FAUSOZUJRURHTO-HZPDHXFCSA-N 1 0 314.433 2.245 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])Nc2cccc(C)c2)[C@]12CCCO2 ZINC000262342028 527791945 /nfs/dbraw/zinc/79/19/45/527791945.db2.gz CVGXPTVZDCLYDO-BFYDXBDKSA-N 1 0 303.406 2.448 10 30 DEEERO CCC[C@@]1(C)CCCN(C(NCC(=O)NC(C)(C)C)=[NH+]C)C1 ZINC000261770344 527927603 /nfs/dbraw/zinc/92/76/03/527927603.db2.gz DQBQQEYEMXWFBZ-KRWDZBQOSA-N 1 0 310.486 2.379 10 30 DEEERO CC(C)c1cccc(NC(=[NH2+])NCc2cc(C(N)=O)co2)c1 ZINC000262449428 528173852 /nfs/dbraw/zinc/17/38/52/528173852.db2.gz DWFCWADKQVAXIG-UHFFFAOYSA-N 1 0 300.362 2.429 10 30 DEEERO CCOc1cc2c(cc1[C@@H]1C[C@H]1NC1=[NH+]CCN1C)O[C@H](C)C2 ZINC000262679975 528349404 /nfs/dbraw/zinc/34/94/04/528349404.db2.gz VQHKGUXSNYWHII-OSAQELSMSA-N 1 0 315.417 2.156 10 30 DEEERO CC[NH+]=C(N[C@H](C)Cc1c(C)nn(C)c1C)N[C@H]1CC1(C)C ZINC000261854809 528820914 /nfs/dbraw/zinc/82/09/14/528820914.db2.gz YMEMARFOKJNIEL-ABAIWWIYSA-N 1 0 305.470 2.322 10 30 DEEERO C[C@H]1C[C@@H](C(=O)NC2CCN(c3cccnn3)CC2)CC[N@@H+]1C ZINC000329732468 625531433 /nfs/dbraw/zinc/53/14/33/625531433.db2.gz QEFAGAUXYOGYGD-KBPBESRZSA-N 1 0 317.437 2.132 10 30 DEEERO C=CCn1c(C)nn(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1=S ZINC000247083800 625238367 /nfs/dbraw/zinc/23/83/67/625238367.db2.gz NMNOPDUQOKHSEU-OCCSQVGLSA-N 1 0 307.467 2.035 10 30 DEEERO C=C(Br)C[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186320992 634136036 /nfs/dbraw/zinc/13/60/36/634136036.db2.gz UFFVIGDKAHEREP-NWDGAFQWSA-N 1 0 304.228 2.459 10 30 DEEERO C[NH+]=C(NCc1ccc(C)cc1OC[C@H]1CCOC1)NC1CC1 ZINC000151195256 646288913 /nfs/dbraw/zinc/28/89/13/646288913.db2.gz PQBUYIXWSMLLHC-AWEZNQCLSA-N 1 0 317.433 2.238 10 30 DEEERO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cncnc2)ccc1OC ZINC000113347727 651701186 /nfs/dbraw/zinc/70/11/86/651701186.db2.gz SQLGCWQFDFVLQC-OAHLLOKOSA-N 1 0 312.373 2.456 10 30 DEEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCc1c(C)nn(C)c1C ZINC000119411112 684081276 /nfs/dbraw/zinc/08/12/76/684081276.db2.gz XVDSKVHYMPIMBS-CQSZACIVSA-N 1 0 319.449 2.246 10 30 DEEERO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000125013064 684140752 /nfs/dbraw/zinc/14/07/52/684140752.db2.gz WAUGBZBDTVLGQG-LLVKDONJSA-N 1 0 315.826 2.007 10 30 DEEERO CC(C)c1cccc(NC(=[NH2+])NC[C@]2(CCO)CCOC2)c1 ZINC000126140357 684151812 /nfs/dbraw/zinc/15/18/12/684151812.db2.gz MRMANPZSNXJVHU-KRWDZBQOSA-N 1 0 305.422 2.326 10 30 DEEERO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000245513146 685113261 /nfs/dbraw/zinc/11/32/61/685113261.db2.gz BZUWLJOEIRQMBK-XJKSGUPXSA-N 1 0 301.390 2.078 10 30 DEEERO COc1cccc(NC(=[NH2+])NCCc2c(C)nn(C)c2C)c1 ZINC000303867191 685236230 /nfs/dbraw/zinc/23/62/30/685236230.db2.gz CTLOWJZDPIEGOZ-UHFFFAOYSA-N 1 0 301.394 2.015 10 30 DEEERO C[NH+](C)Cc1cc(O[C@@H]2CCN(c3ncccc3C#N)C2)ccn1 ZINC000886028016 691987443 /nfs/dbraw/zinc/98/74/43/691987443.db2.gz PCCATUYLDHPVHP-QGZVFWFLSA-N 1 0 323.400 2.068 10 30 DEEERO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N+](C)(C)C1CCCC1 ZINC000015457971 717112397 /nfs/dbraw/zinc/11/23/97/717112397.db2.gz YTFJYLPYMXKTFD-AWEZNQCLSA-O 1 0 318.441 2.420 10 30 DEEERO C#CC[C@@H](COC)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000714242103 792305056 /nfs/dbraw/zinc/30/50/56/792305056.db2.gz XLHDINSQDGFICY-CABCVRRESA-N 1 0 310.438 2.261 10 30 DEEERO C#CC1(O)CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000708101234 1086676742 /nfs/dbraw/zinc/67/67/42/1086676742.db2.gz IGAYXNICXDEOQS-UHFFFAOYSA-N 1 0 324.218 2.288 10 30 DEEERO C=CCN(CCC)S(=O)(=O)c1cc(C)c(F)c(C[NH3+])c1 ZINC000162615338 197579313 /nfs/dbraw/zinc/57/93/13/197579313.db2.gz RYGFMCNAQKGCSC-UHFFFAOYSA-N 1 0 300.399 2.180 10 30 DEEERO [NH3+]CC#Cc1ccc(OCCCOCC(F)(F)F)cc1F ZINC000087439185 185225020 /nfs/dbraw/zinc/22/50/20/185225020.db2.gz XHZYWNPOUREVRC-UHFFFAOYSA-N 1 0 305.271 2.484 10 30 DEEERO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000329110297 529591780 /nfs/dbraw/zinc/59/17/80/529591780.db2.gz GHUAUDYOXAEEFX-LXTVHRRPSA-N 1 0 320.437 2.420 10 30 DEEERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1C#N ZINC000090540868 185301814 /nfs/dbraw/zinc/30/18/14/185301814.db2.gz SNTABWJGLLNOEH-JSGCOSHPSA-N 1 0 307.781 2.165 10 30 DEEERO CCc1ncc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)o1 ZINC000263133643 529752149 /nfs/dbraw/zinc/75/21/49/529752149.db2.gz NISKDGSBHAWLIA-ZDUSSCGKSA-N 1 0 300.362 2.165 10 30 DEEERO CN1CC[NH+]=C1NCCc1c[nH]c2ccc(Br)cc12 ZINC000262472493 529778584 /nfs/dbraw/zinc/77/85/84/529778584.db2.gz BKTGAHCWYRQVLN-UHFFFAOYSA-N 1 0 321.222 2.364 10 30 DEEERO C=CCC1(C(=O)N2CCC3(C2)CC[NH+](C)CC3)CCOCC1 ZINC000614969510 362501969 /nfs/dbraw/zinc/50/19/69/362501969.db2.gz MBKSFBJJDNPCHO-UHFFFAOYSA-N 1 0 306.450 2.304 10 30 DEEERO CN(C)c1nnc(SCc2ccc(F)cc2C#CC[NH3+])s1 ZINC000111316536 185580404 /nfs/dbraw/zinc/58/04/04/185580404.db2.gz PWECGBYSPXELSQ-UHFFFAOYSA-N 1 0 322.434 2.346 10 30 DEEERO C[C@@H](Cc1cccs1)NC(=O)c1sccc1C#CC[NH3+] ZINC000111542580 185611826 /nfs/dbraw/zinc/61/18/26/185611826.db2.gz BBAOXIYIVWPSSP-NSHDSACASA-N 1 0 304.440 2.481 10 30 DEEERO C[NH+](C)Cc1ccc2c(c1)C(C#N)N(C1CCC(O)CC1)C2=O ZINC000071680493 191005155 /nfs/dbraw/zinc/00/51/55/191005155.db2.gz NHNNUDXJIHNDGG-MQBCKMQZSA-N 1 0 313.401 2.072 10 30 DEEERO Cc1ccc(C#CC[NH3+])c(C(=O)N2CCS[C@H](C)[C@H]2C)c1 ZINC000133665016 186004578 /nfs/dbraw/zinc/00/45/78/186004578.db2.gz JEUGHKIJUGLVEP-ZIAGYGMSSA-N 1 0 302.443 2.271 10 30 DEEERO Cc1c(C#CC[NH3+])cccc1C(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000133669041 186005054 /nfs/dbraw/zinc/00/50/54/186005054.db2.gz WTQJNFZPSBJUKO-KBPBESRZSA-N 1 0 302.443 2.271 10 30 DEEERO C[C@@H]1[C@H](C)SCC[N@@H+]1CCOc1ccc(C#CCO)cc1 ZINC000133783040 186012140 /nfs/dbraw/zinc/01/21/40/186012140.db2.gz VCCWVQREQYVYAR-CABCVRRESA-N 1 0 305.443 2.235 10 30 DEEERO C=CCC1([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CCCCC1 ZINC000625934584 365961758 /nfs/dbraw/zinc/96/17/58/365961758.db2.gz SRRDJICCAOLNDO-AWEZNQCLSA-N 1 0 300.468 2.137 10 30 DEEERO C[NH+](C)Cc1cc(CNC(=O)NCCCCC#N)ccc1F ZINC000172076547 198036097 /nfs/dbraw/zinc/03/60/97/198036097.db2.gz FCMVHYUFDZGEMT-UHFFFAOYSA-N 1 0 306.385 2.380 10 30 DEEERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCc2cncnc2C1 ZINC000329571220 539922963 /nfs/dbraw/zinc/92/29/63/539922963.db2.gz URLXBTCEYKMXAG-HNNXBMFYSA-N 1 0 317.437 2.013 10 30 DEEERO N#CC[C@@H](CC(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000359260571 283054367 /nfs/dbraw/zinc/05/43/67/283054367.db2.gz DNEYEKOADLNCQM-INIZCTEOSA-N 1 0 308.385 2.119 10 30 DEEERO C=CCc1cc(C(=O)N(C)CC2C[NH+](C)C2)cc(OC)c1OC ZINC000618196489 363411679 /nfs/dbraw/zinc/41/16/79/363411679.db2.gz ZQWRRGGWJUQNRZ-UHFFFAOYSA-N 1 0 318.417 2.066 10 30 DEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC[NH+](C)CC1 ZINC000073118937 354943571 /nfs/dbraw/zinc/94/35/71/354943571.db2.gz LCUIOQUEFLMQEQ-UHFFFAOYSA-N 1 0 317.389 2.451 10 30 DEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000078805288 355278498 /nfs/dbraw/zinc/27/84/98/355278498.db2.gz PHRMGRNACWXSOU-OLZOCXBDSA-N 1 0 319.405 2.136 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000246787370 356316150 /nfs/dbraw/zinc/31/61/50/356316150.db2.gz MEADRBIWCLBQCL-OAHLLOKOSA-N 1 0 317.433 2.109 10 30 DEEERO Cn1cc(C#N)cc1C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000081055814 192220698 /nfs/dbraw/zinc/22/06/98/192220698.db2.gz NABXDSCWBZJWSY-UHFFFAOYSA-N 1 0 302.422 2.233 10 30 DEEERO C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]CC)C1 ZINC000626844461 366344718 /nfs/dbraw/zinc/34/47/18/366344718.db2.gz NCWJYYLPHRPYCG-AWEZNQCLSA-N 1 0 315.417 2.159 10 30 DEEERO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNCc2ccc(C#N)o2)C1 ZINC000594996301 358375351 /nfs/dbraw/zinc/37/53/51/358375351.db2.gz WTOJOYSHYCRCLU-QGZVFWFLSA-N 1 0 324.428 2.057 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000599526478 359516407 /nfs/dbraw/zinc/51/64/07/359516407.db2.gz MSRXTJFBOLCZIM-UKRRQHHQSA-N 1 0 306.362 2.233 10 30 DEEERO C=CC[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000599526477 359516607 /nfs/dbraw/zinc/51/66/07/359516607.db2.gz MSRXTJFBOLCZIM-HIFRSBDPSA-N 1 0 306.362 2.233 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186774420 200007965 /nfs/dbraw/zinc/00/79/65/200007965.db2.gz MUURBADEFIQDOJ-AWEZNQCLSA-N 1 0 322.474 2.356 10 30 DEEERO COc1cc(C#N)ccc1OCC[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187899390 200173051 /nfs/dbraw/zinc/17/30/51/200173051.db2.gz RGQRZMUJNNWVAU-KBXCAEBGSA-N 1 0 318.417 2.429 10 30 DEEERO CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)c2ccccc21 ZINC000600733499 359814531 /nfs/dbraw/zinc/81/45/31/359814531.db2.gz ZNLCVFXQENJBIR-HOCLYGCPSA-N 1 0 313.401 2.129 10 30 DEEERO C[C@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@@H]1C[NH3+] ZINC000600884851 359851147 /nfs/dbraw/zinc/85/11/47/359851147.db2.gz GBMPBUONMFDNME-WPRPVWTQSA-N 1 0 312.186 2.491 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000601270199 359988403 /nfs/dbraw/zinc/98/84/03/359988403.db2.gz LYQNAXRZUNTLSN-HNNXBMFYSA-N 1 0 303.406 2.145 10 30 DEEERO C=C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCC ZINC000628149208 366739701 /nfs/dbraw/zinc/73/97/01/366739701.db2.gz PYCZEAGIRXTJMO-KZNAEPCWSA-N 1 0 316.445 2.198 10 30 DEEERO C=CCCOCC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000620236826 363996916 /nfs/dbraw/zinc/99/69/16/363996916.db2.gz AERXZTMAMCVONC-UHFFFAOYSA-N 1 0 317.433 2.360 10 30 DEEERO C=CC[C@]1(C(=O)N(C)Cc2c(C)cc(C)nc2OC)CCC[NH2+]1 ZINC000621683533 364505302 /nfs/dbraw/zinc/50/53/02/364505302.db2.gz XGYYTGWRGUHMJM-GOSISDBHSA-N 1 0 317.433 2.364 10 30 DEEERO C=CC(C)(C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000624463364 365429701 /nfs/dbraw/zinc/42/97/01/365429701.db2.gz GLLAFADLKYYRBX-INIZCTEOSA-N 1 0 323.481 2.343 10 30 DEEERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCO[C@H](C#N)C1 ZINC000093930594 193329786 /nfs/dbraw/zinc/32/97/86/193329786.db2.gz XICOLOVQCBYDAB-GDLCADMTSA-N 1 0 324.222 2.062 10 30 DEEERO CN(Cc1cccc(F)c1)C(=O)c1csc(C#CC[NH3+])c1 ZINC000093975861 193332698 /nfs/dbraw/zinc/33/26/98/193332698.db2.gz RYKHRLHJIICEHZ-UHFFFAOYSA-N 1 0 302.374 2.470 10 30 DEEERO CSC1(C#N)CC[NH+]([C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000094375713 193367182 /nfs/dbraw/zinc/36/71/82/193367182.db2.gz YPERWXHYPFRIKL-AWEZNQCLSA-N 1 0 310.463 2.436 10 30 DEEERO COc1ccc(NC(=O)c2cc(C)c(C#CC[NH3+])s2)cn1 ZINC000094535997 193377733 /nfs/dbraw/zinc/37/77/33/193377733.db2.gz UAZNAMZGONTLJR-UHFFFAOYSA-N 1 0 301.371 2.023 10 30 DEEERO CC[C@H]1CN(Cc2cc(F)ccc2C#N)CC[N@@H+]1CCOC ZINC000159953636 197375693 /nfs/dbraw/zinc/37/56/93/197375693.db2.gz MSPRESWLQKBIMU-KRWDZBQOSA-N 1 0 305.397 2.240 10 30 DEEERO C[C@@H](C[N@H+](C)Cc1ccc(Br)cc1)/C(N)=N/O ZINC000042307715 183252346 /nfs/dbraw/zinc/25/23/46/183252346.db2.gz GPSCDEXRFNZJKU-VIFPVBQESA-N 1 0 300.200 2.263 10 30 DEEERO C[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N(CC#N)CC#N ZINC000043259197 183349129 /nfs/dbraw/zinc/34/91/29/183349129.db2.gz ZRQOYUKDMVDTRH-KWQFWETISA-N 1 0 313.224 2.248 10 30 DEEERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N(CC#N)CC#N ZINC000043259200 183349264 /nfs/dbraw/zinc/34/92/64/183349264.db2.gz ZRQOYUKDMVDTRH-KCJUWKMLSA-N 1 0 313.224 2.248 10 30 DEEERO C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N(CC#N)CC#N ZINC000043284872 183350831 /nfs/dbraw/zinc/35/08/31/183350831.db2.gz ORWXDNOZFZZNAZ-KWQFWETISA-N 1 0 313.224 2.248 10 30 DEEERO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000285023506 218261339 /nfs/dbraw/zinc/26/13/39/218261339.db2.gz ZGHNTXGQFWJHME-JQHSSLGASA-N 1 0 318.392 2.449 10 30 DEEERO CCOCC[N@@H+]1CCN(Cc2ccccc2C#N)C[C@@H]1CC ZINC000106118599 194186845 /nfs/dbraw/zinc/18/68/45/194186845.db2.gz RCXZQYYSBSVXQX-SFHVURJKSA-N 1 0 301.434 2.491 10 30 DEEERO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604579 184176930 /nfs/dbraw/zinc/17/69/30/184176930.db2.gz XCGPIXYRJSXDBG-AWEZNQCLSA-N 1 0 313.401 2.022 10 30 DEEERO Cc1ccc(N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)nn1 ZINC000120157308 195108114 /nfs/dbraw/zinc/10/81/14/195108114.db2.gz QVSKSCHSEUSRSK-UHFFFAOYSA-N 1 0 313.430 2.431 10 30 DEEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156645758 197129690 /nfs/dbraw/zinc/12/96/90/197129690.db2.gz PJMLUGDGSUJXLF-ROUUACIJSA-N 1 0 310.401 2.261 10 30 DEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)[C@H]1CCCCS1 ZINC000156281523 197101209 /nfs/dbraw/zinc/10/12/09/197101209.db2.gz JEIMSBCDULIUMN-CQSZACIVSA-N 1 0 308.472 2.302 10 30 DEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)[C@@H]1CCCCS1 ZINC000156281397 197100733 /nfs/dbraw/zinc/10/07/33/197100733.db2.gz JEIMSBCDULIUMN-AWEZNQCLSA-N 1 0 308.472 2.302 10 30 DEEERO C[C@H]([NH3+])c1ccc(Br)cc1-n1cnc(C#N)c1C#N ZINC000156220806 197096707 /nfs/dbraw/zinc/09/67/07/197096707.db2.gz CBJIXFDRBVVQNR-QMMMGPOBSA-N 1 0 316.162 2.398 10 30 DEEERO C[C@@H]1CCCN(C(=[NH2+])NCc2ncc(C(F)(F)F)cn2)C1 ZINC000263195390 533634316 /nfs/dbraw/zinc/63/43/16/533634316.db2.gz WIKSBKVHMHVILU-SECBINFHSA-N 1 0 301.316 2.042 10 30 DEEERO CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc3ccccc3c2=O)C1 ZINC000329871239 404477983 /nfs/dbraw/zinc/47/79/83/404477983.db2.gz CGDGKJUMTMCZEE-OAHLLOKOSA-N 1 0 313.401 2.442 10 30 DEEERO N#Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c(F)c1 ZINC000549260614 285837640 /nfs/dbraw/zinc/83/76/40/285837640.db2.gz DPPOEIUXNOJEDO-RDJZCZTQSA-N 1 0 318.392 2.355 10 30 DEEERO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000192727934 145077550 /nfs/dbraw/zinc/07/75/50/145077550.db2.gz ZKDVESXZZHVLEJ-LBPRGKRZSA-N 1 0 315.398 2.056 10 30 DEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000247059225 145125430 /nfs/dbraw/zinc/12/54/30/145125430.db2.gz INIKKLHXLWFDIN-RHSMWYFYSA-N 1 0 314.433 2.428 10 30 DEEERO Cn1nccc1C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000127359859 401731254 /nfs/dbraw/zinc/73/12/54/401731254.db2.gz BLMAQLHMPBDKRD-SFHVURJKSA-N 1 0 310.401 2.205 10 30 DEEERO Cc1ccc(C#N)cc1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000114736885 401809064 /nfs/dbraw/zinc/80/90/64/401809064.db2.gz ZJHLCLDAHGINGB-AWEZNQCLSA-N 1 0 321.446 2.019 10 30 DEEERO CC(C)[N@H+](CC(=O)Nc1cccc(C#N)c1)C1CCOCC1 ZINC000077323630 401810055 /nfs/dbraw/zinc/81/00/55/401810055.db2.gz JFZGXUCUPYDVBG-UHFFFAOYSA-N 1 0 301.390 2.386 10 30 DEEERO Cn1cc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)cn1 ZINC000116312430 401849124 /nfs/dbraw/zinc/84/91/24/401849124.db2.gz ZMMQFLCNYJFELI-HNNXBMFYSA-N 1 0 323.400 2.110 10 30 DEEERO CC(C)[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CCOCC1 ZINC000077356704 401812153 /nfs/dbraw/zinc/81/21/53/401812153.db2.gz DGLBYWUGNRNGDA-UHFFFAOYSA-N 1 0 307.438 2.218 10 30 DEEERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)CO)cc1OCCCC#N ZINC000077423885 401815491 /nfs/dbraw/zinc/81/54/91/401815491.db2.gz DXTSGPOMRZNJIO-KBPBESRZSA-N 1 0 306.406 2.484 10 30 DEEERO CCCC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000120787700 402002235 /nfs/dbraw/zinc/00/22/35/402002235.db2.gz ABZUEFAHNGQPDK-MRXNPFEDSA-N 1 0 315.417 2.448 10 30 DEEERO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123325069 402122122 /nfs/dbraw/zinc/12/21/22/402122122.db2.gz GZIBBBGFPQOBLH-HZPDHXFCSA-N 1 0 302.418 2.070 10 30 DEEERO CC(C)C[NH+]1CCC(NCc2cnc3ccc(C#N)cn23)CC1 ZINC000123253883 402118066 /nfs/dbraw/zinc/11/80/66/402118066.db2.gz VHUWHQSRDIWCCI-UHFFFAOYSA-N 1 0 311.433 2.416 10 30 DEEERO CNC(=O)[C@@H](C)C[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177367087 402395180 /nfs/dbraw/zinc/39/51/80/402395180.db2.gz NTYMTTZWPIBKPK-LBPRGKRZSA-N 1 0 312.335 2.371 10 30 DEEERO C=CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000162588355 402425432 /nfs/dbraw/zinc/42/54/32/402425432.db2.gz RNTHIEPDCYZARB-SJORKVTESA-N 1 0 322.497 2.151 10 30 DEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000247529247 402571413 /nfs/dbraw/zinc/57/14/13/402571413.db2.gz ZQXNRRKLIUCQRE-BLLLJJGKSA-N 1 0 318.396 2.225 10 30 DEEERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000246396213 402529470 /nfs/dbraw/zinc/52/94/70/402529470.db2.gz JDEQYBLUPMDWBL-DLBZAZTESA-N 1 0 315.417 2.188 10 30 DEEERO C=CCc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000170857382 402533608 /nfs/dbraw/zinc/53/36/08/402533608.db2.gz YALZIEHNUVLIBC-OAHLLOKOSA-N 1 0 318.417 2.208 10 30 DEEERO C[N@@H+]1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccccc1 ZINC000179270121 402583391 /nfs/dbraw/zinc/58/33/91/402583391.db2.gz JJORSDMWRGGXHG-IRXDYDNUSA-N 1 0 312.417 2.377 10 30 DEEERO CC[N@@H+]1CCC[C@@H](NC(=O)CSc2ccc(C#N)cc2)C1 ZINC000171479410 402589314 /nfs/dbraw/zinc/58/93/14/402589314.db2.gz SSVFMEPFSHEVMA-CQSZACIVSA-N 1 0 303.431 2.251 10 30 DEEERO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171806909 402624053 /nfs/dbraw/zinc/62/40/53/402624053.db2.gz ROWCAZYAYJAEOR-AWEZNQCLSA-N 1 0 315.421 2.427 10 30 DEEERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](CCCCC#N)CC1 ZINC000191986162 402702615 /nfs/dbraw/zinc/70/26/15/402702615.db2.gz WSDIZELMAHAGKM-UHFFFAOYSA-N 1 0 309.454 2.418 10 30 DEEERO C=CC[C@@H](CO)NC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000182976645 402730695 /nfs/dbraw/zinc/73/06/95/402730695.db2.gz HZSFHFJEGSLXGB-KRWDZBQOSA-N 1 0 319.449 2.265 10 30 DEEERO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184331471 402835962 /nfs/dbraw/zinc/83/59/62/402835962.db2.gz NGAZYMVKLDYXOR-UONOGXRCSA-N 1 0 314.389 2.289 10 30 DEEERO C#CCC(CC#C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000278798082 402872477 /nfs/dbraw/zinc/87/24/77/402872477.db2.gz ZBHIHTIFFLNJOL-UHFFFAOYSA-N 1 0 322.452 2.473 10 30 DEEERO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2OC)C1=O ZINC000281245028 403061602 /nfs/dbraw/zinc/06/16/02/403061602.db2.gz PWWVJEBOTPNFNQ-SWLSCSKDSA-N 1 0 304.390 2.141 10 30 DEEERO C=CCN1CC[C@H](N2C[C@@H](c3ccccc3)OC[C@@H]2C)C1=O ZINC000281919090 403104402 /nfs/dbraw/zinc/10/44/02/403104402.db2.gz HAFHKRNVTMSOKU-XIRDDKMYSA-N 1 0 300.402 2.235 10 30 DEEERO C#CCC(CC#C)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000277842294 403263142 /nfs/dbraw/zinc/26/31/42/403263142.db2.gz YDAWJUVGFIOYRO-UHFFFAOYSA-N 1 0 300.402 2.141 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000343034005 403437440 /nfs/dbraw/zinc/43/74/40/403437440.db2.gz WOTUEIUTUCONHC-YJBOKZPZSA-N 1 0 323.481 2.038 10 30 DEEERO Cn1cc([C@@H](CNc2ccc(Cl)c(C#N)n2)[NH+](C)C)cn1 ZINC000301293431 403612101 /nfs/dbraw/zinc/61/21/01/403612101.db2.gz QNMCITZUJCQHJM-CYBMUJFWSA-N 1 0 304.785 2.055 10 30 DEEERO Cc1nsc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1C#N ZINC000333305237 403721105 /nfs/dbraw/zinc/72/11/05/403721105.db2.gz KWYQGHYYWNIDSP-CYBMUJFWSA-N 1 0 319.434 2.319 10 30 DEEERO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000288212608 403741610 /nfs/dbraw/zinc/74/16/10/403741610.db2.gz QINTXKZYFUDGTR-SFHVURJKSA-N 1 0 311.429 2.182 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@H](CC(C)C)c1cccs1 ZINC000347617415 403777174 /nfs/dbraw/zinc/77/71/74/403777174.db2.gz SZGJZBUJUANGRY-GFCCVEGCSA-N 1 0 309.435 2.437 10 30 DEEERO C[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@@H]1[NH3+] ZINC000333752641 403845271 /nfs/dbraw/zinc/84/52/71/403845271.db2.gz ZHAPHEJVEOGJGN-WBMJQRKESA-N 1 0 309.417 2.267 10 30 DEEERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](c3cc(C)n[nH]3)C2)C1 ZINC000328745026 404141820 /nfs/dbraw/zinc/14/18/20/404141820.db2.gz PDQBNERLFQUIMV-CABCVRRESA-N 1 0 319.453 2.296 10 30 DEEERO Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000329260053 404282372 /nfs/dbraw/zinc/28/23/72/404282372.db2.gz CSFYWXAFCONIEZ-BYCMXARLSA-N 1 0 320.437 2.335 10 30 DEEERO C=CCn1c(CC2CCCC2)nnc1N1CC[NH+](CC)CC1 ZINC000350599765 404423521 /nfs/dbraw/zinc/42/35/21/404423521.db2.gz PIDXHGQHHHSQSP-UHFFFAOYSA-N 1 0 303.454 2.339 10 30 DEEERO O=C(C[NH2+]C1(CO)Cc2ccccc2C1)NC1CCCCC1 ZINC000329690522 404424037 /nfs/dbraw/zinc/42/40/37/404424037.db2.gz BOOIFWDYBFEAPP-UHFFFAOYSA-N 1 0 302.418 2.395 10 30 DEEERO C=CCn1c(CC2CC2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000351071618 404510361 /nfs/dbraw/zinc/51/03/61/404510361.db2.gz DUDYGJKDTDAOHA-OAHLLOKOSA-N 1 0 301.438 2.090 10 30 DEEERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330205739 404586029 /nfs/dbraw/zinc/58/60/29/404586029.db2.gz DSJYFDJTYHGFQV-IIAWOOMASA-N 1 0 320.437 2.329 10 30 DEEERO CC1(C)CC[C@@H](C[N@@H+]2CCCN(c3ncccc3C#N)CC2)O1 ZINC000373490575 404546044 /nfs/dbraw/zinc/54/60/44/404546044.db2.gz SHNRAIMIPRBENJ-INIZCTEOSA-N 1 0 314.433 2.423 10 30 DEEERO Cn1cc(C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)cc1C#N ZINC000365347744 404626277 /nfs/dbraw/zinc/62/62/77/404626277.db2.gz UGNBGPVLMRNPTQ-LJQANCHMSA-N 1 0 309.413 2.466 10 30 DEEERO C=CC[C@H](CO)NC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000357276958 404732086 /nfs/dbraw/zinc/73/20/86/404732086.db2.gz SGUVORSVKAWDNB-BFYDXBDKSA-N 1 0 319.449 2.222 10 30 DEEERO C=CCCCCCN(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424128479 405015234 /nfs/dbraw/zinc/01/52/34/405015234.db2.gz REVSSQVDSJCBFX-CQSZACIVSA-N 1 0 305.426 2.021 10 30 DEEERO C=CCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCOCC1 ZINC000424808979 405184335 /nfs/dbraw/zinc/18/43/35/405184335.db2.gz LNJSUQHADZWKAW-INIZCTEOSA-N 1 0 306.450 2.492 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000425726086 405315876 /nfs/dbraw/zinc/31/58/76/405315876.db2.gz NLPASXDLAWCXFA-JYJNAYRXSA-N 1 0 309.454 2.141 10 30 DEEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420349933 405328294 /nfs/dbraw/zinc/32/82/94/405328294.db2.gz FFTGAWHWLDKUSJ-YDHLFZDLSA-N 1 0 307.463 2.073 10 30 DEEERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC1CCC(C#N)CC1 ZINC000443387192 405338552 /nfs/dbraw/zinc/33/85/52/405338552.db2.gz NLJHZWSXGGOOAU-VMBOVVBDSA-N 1 0 321.465 2.226 10 30 DEEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000425454030 405293548 /nfs/dbraw/zinc/29/35/48/405293548.db2.gz RBILCUQIOHLGOB-KKUMJFAQSA-N 1 0 311.470 2.243 10 30 DEEERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(C#N)n1C ZINC000448710511 405440017 /nfs/dbraw/zinc/44/00/17/405440017.db2.gz UPBJIERYIBVMKU-AWEZNQCLSA-N 1 0 302.422 2.281 10 30 DEEERO Cn1c(C#N)ccc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000448835672 405453721 /nfs/dbraw/zinc/45/37/21/405453721.db2.gz MESGIDXFTBUOMG-UHFFFAOYSA-N 1 0 312.373 2.089 10 30 DEEERO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527987054 405470363 /nfs/dbraw/zinc/47/03/63/405470363.db2.gz YTUXMDOSJVGPLL-XHSDSOJGSA-N 1 0 307.438 2.036 10 30 DEEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(C#N)n1C)C(C)C ZINC000448974488 405481290 /nfs/dbraw/zinc/48/12/90/405481290.db2.gz LAEAZDMRSQVKOW-KRWDZBQOSA-N 1 0 314.433 2.325 10 30 DEEERO C=CCc1cc(C[NH2+]CC[C@](C)(O)COC)cc(OC)c1O ZINC000449383072 405533965 /nfs/dbraw/zinc/53/39/65/405533965.db2.gz DZHSJZLRRCDACR-KRWDZBQOSA-N 1 0 309.406 2.006 10 30 DEEERO C=CC(C)(C)CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000458983656 405676495 /nfs/dbraw/zinc/67/64/95/405676495.db2.gz DZHGACGVYWPOIX-INIZCTEOSA-N 1 0 322.497 2.010 10 30 DEEERO C=CC[C@]1(C(=O)Nc2nnc([C@@H]3CCCO3)s2)CCC[NH2+]1 ZINC000639022183 405825654 /nfs/dbraw/zinc/82/56/54/405825654.db2.gz YSJQSWYWZJJCDH-IINYFYTJSA-N 1 0 308.407 2.026 10 30 DEEERO C=CCC[C@@H](CO)[NH2+]Cc1snc(OC)c1Br ZINC000639238329 405996603 /nfs/dbraw/zinc/99/66/03/405996603.db2.gz JVDSRFHTYCJXBS-QMMMGPOBSA-N 1 0 321.240 2.331 10 30 DEEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532124549 406047880 /nfs/dbraw/zinc/04/78/80/406047880.db2.gz UQLRPHFDQJKXHY-ZIAGYGMSSA-N 1 0 310.438 2.121 10 30 DEEERO C=CCCCCCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000565172971 406070965 /nfs/dbraw/zinc/07/09/65/406070965.db2.gz OHXVXHDALBYUPZ-QGZVFWFLSA-N 1 0 324.513 2.304 10 30 DEEERO C=CC[N@H+](Cc1cccs1)C[C@H](O)CC1(O)CCOCC1 ZINC000634640634 406203713 /nfs/dbraw/zinc/20/37/13/406203713.db2.gz CXIFQDCMRDZJFF-CQSZACIVSA-N 1 0 311.447 2.029 10 30 DEEERO C=CCN(CC(F)(F)F)C(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000637948749 406491500 /nfs/dbraw/zinc/49/15/00/406491500.db2.gz QTPFNBZYORVQBN-ZDUSSCGKSA-N 1 0 316.323 2.142 10 30 DEEERO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC1CCC(C#N)CC1 ZINC000441020642 286831730 /nfs/dbraw/zinc/83/17/30/286831730.db2.gz IKEBUEAEMCCSNB-FHERZECASA-N 1 0 306.454 2.490 10 30 DEEERO [NH3+]CC#Cc1ccc(C(=O)NC[C@@H]2CCCS2)cc1Cl ZINC000129208616 196029257 /nfs/dbraw/zinc/02/92/57/196029257.db2.gz KCEIHJOSJPXBLF-ZDUSSCGKSA-N 1 0 308.834 2.276 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000130608272 196094917 /nfs/dbraw/zinc/09/49/17/196094917.db2.gz KWDMCQJIMNXOFI-UHFFFAOYSA-N 1 0 303.406 2.111 10 30 DEEERO N#Cc1cc(Br)ccc1NC(=O)CC[NH2+]C1CC1 ZINC000132461014 196258159 /nfs/dbraw/zinc/25/81/59/196258159.db2.gz AGBGVHTWCDJJFW-UHFFFAOYSA-N 1 0 308.179 2.401 10 30 DEEERO C[C@@H]1C[NH2+]C[C@H](COc2ccc(Br)cc2C#N)O1 ZINC000133806716 196337474 /nfs/dbraw/zinc/33/74/74/196337474.db2.gz GPNLPIVQKNJMFN-BXKDBHETSA-N 1 0 311.179 2.076 10 30 DEEERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c(O)c1 ZINC000188346535 225016551 /nfs/dbraw/zinc/01/65/51/225016551.db2.gz QLOBZFIBSVKKDM-QGZVFWFLSA-N 1 0 323.396 2.167 10 30 DEEERO [NH2+]=C(NCCc1cccs1)NCc1cccc2c1OCO2 ZINC000261992436 225262152 /nfs/dbraw/zinc/26/21/52/225262152.db2.gz MQCIIWOFNBLVED-UHFFFAOYSA-N 1 0 303.387 2.124 10 30 DEEERO COCc1ccccc1NC(=[NH2+])NC[C@H]1COC2(CCCC2)O1 ZINC000262354080 225268329 /nfs/dbraw/zinc/26/83/29/225268329.db2.gz JKDSTORPHDGTHW-AWEZNQCLSA-N 1 0 319.405 2.245 10 30 DEEERO [NH2+]=C(NCc1ncoc1-c1ccccc1)N1CCSCC1 ZINC000262532292 225277440 /nfs/dbraw/zinc/27/74/40/225277440.db2.gz PSPVOCAZWSWNLE-UHFFFAOYSA-N 1 0 302.403 2.205 10 30 DEEERO C[C@H]1CCCN(C(=[NH2+])NCc2cc(F)cc3c2OCOC3)C1 ZINC000261981356 225260878 /nfs/dbraw/zinc/26/08/78/225260878.db2.gz IACLVRYEYUPOQO-NSHDSACASA-N 1 0 307.369 2.239 10 30 DEEERO Cc1cc(C#N)nc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000368550935 424873599 /nfs/dbraw/zinc/87/35/99/424873599.db2.gz LHMNUSIPNRTFHM-MRXNPFEDSA-N 1 0 307.401 2.591 10 30 DEEERO Cc1nsc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1C#N ZINC000333305240 268923276 /nfs/dbraw/zinc/92/32/76/268923276.db2.gz KWYQGHYYWNIDSP-ZDUSSCGKSA-N 1 0 319.434 2.319 10 30 DEEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])N2CCC[C@@H](C)C2)C12CCOCC2 ZINC000248638894 276343244 /nfs/dbraw/zinc/34/32/44/276343244.db2.gz MIVYNGCAZRHZQL-RBSFLKMASA-N 1 0 309.454 2.007 10 30 DEEERO Cc1nc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)ccc1C#N ZINC000186248613 279069764 /nfs/dbraw/zinc/06/97/64/279069764.db2.gz JLZKHVIWNSFSAI-CYBMUJFWSA-N 1 0 300.406 2.256 10 30 DEEERO Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329565907 279214531 /nfs/dbraw/zinc/21/45/31/279214531.db2.gz HIIJJMIYBOHQHX-GXTWGEPZSA-N 1 0 319.453 2.310 10 30 DEEERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000333682806 280044952 /nfs/dbraw/zinc/04/49/52/280044952.db2.gz OZDMSYXUMNQXCT-SIXLDLHFSA-N 1 0 312.417 2.076 10 30 DEEERO C=CCOc1ccccc1CN1CCC([NH2+]CCOC)CC1 ZINC000571528150 333814128 /nfs/dbraw/zinc/81/41/28/333814128.db2.gz UEUOMRCPRNLNHD-UHFFFAOYSA-N 1 0 304.434 2.452 10 30 DEEERO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@](C)(O)C(=O)OC ZINC000344082298 335216227 /nfs/dbraw/zinc/21/62/27/335216227.db2.gz OYWDHVAKAVTLPY-CYBMUJFWSA-N 1 0 303.811 2.314 10 30 DEEERO C#CCCOc1ccc(CNC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000113327010 336400631 /nfs/dbraw/zinc/40/06/31/336400631.db2.gz PYCTUIKNEXENLX-SFHVURJKSA-N 1 0 316.445 2.025 10 30 DEEERO C=CCCCN(C)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275433191 337662160 /nfs/dbraw/zinc/66/21/60/337662160.db2.gz JHJPCPBUCYYUGF-UHFFFAOYSA-N 1 0 317.433 2.154 10 30 DEEERO C=CC[C@H](C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000249575608 341399363 /nfs/dbraw/zinc/39/93/63/341399363.db2.gz PJXRPWSMUYBAFV-BQFCYCMXSA-N 1 0 316.445 2.260 10 30 DEEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000565088283 341516738 /nfs/dbraw/zinc/51/67/38/341516738.db2.gz XDGUZIFDTFKWJJ-HNNXBMFYSA-N 1 0 300.402 2.352 10 30 DEEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000566096294 341547497 /nfs/dbraw/zinc/54/74/97/341547497.db2.gz GYZSXKAJRZBAED-INWMFGNUSA-N 1 0 324.446 2.300 10 30 DEEERO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)N(C)CCC#N ZINC000192362348 533987200 /nfs/dbraw/zinc/98/72/00/533987200.db2.gz HFEQDQFILKFLRJ-SWLSCSKDSA-N 1 0 301.390 2.120 10 30 DEEERO COc1ccc(NC(=[NH2+])NCc2cc(C)nc(C)n2)cc1OC ZINC000261701530 533992435 /nfs/dbraw/zinc/99/24/35/533992435.db2.gz CPXSLLIZVMWIDI-UHFFFAOYSA-N 1 0 315.377 2.037 10 30 DEEERO C[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)C[NH+]1CCCCC1 ZINC000302663444 534091667 /nfs/dbraw/zinc/09/16/67/534091667.db2.gz BOLXRKQIVVVQPS-LBPRGKRZSA-N 1 0 303.366 2.395 10 30 DEEERO Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)nc1C#N ZINC000302628665 534167033 /nfs/dbraw/zinc/16/70/33/534167033.db2.gz IRWOFQKZOWXAKZ-GOSISDBHSA-N 1 0 322.412 2.117 10 30 DEEERO C[C@@H]1CN(C(=[NH2+])N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CCO1 ZINC000262813589 534271926 /nfs/dbraw/zinc/27/19/26/534271926.db2.gz OMNXGXRASMJLFT-IXPVHAAZSA-N 1 0 309.360 2.246 10 30 DEEERO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(C)s1)C[C@@H]1CCCO1 ZINC000036101637 518302701 /nfs/dbraw/zinc/30/27/01/518302701.db2.gz ZSQHDMSYINSOHY-HOTGVXAUSA-N 1 0 323.458 2.048 10 30 DEEERO C=C(C)C[N@@H+](C)C[C@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000012578704 518589236 /nfs/dbraw/zinc/58/92/36/518589236.db2.gz FAPIMLSPIPIFMH-GOSISDBHSA-N 1 0 308.466 2.428 10 30 DEEERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC)C[C@H]1C ZINC000248954813 523716067 /nfs/dbraw/zinc/71/60/67/523716067.db2.gz AHISXQXXPCVKAK-IUODEOHRSA-N 1 0 302.374 2.198 10 30 DEEERO C=CCOc1ccc(CN2CC[N@@H+](CCO)C[C@H]2C)cc1Cl ZINC000449788026 534883499 /nfs/dbraw/zinc/88/34/99/534883499.db2.gz XFOYJPDAYBCJRC-CQSZACIVSA-N 1 0 324.852 2.403 10 30 DEEERO C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262242447 526347816 /nfs/dbraw/zinc/34/78/16/526347816.db2.gz NZZVHYZTSWJVKI-SOUVJXGZSA-N 1 0 322.497 2.425 10 30 DEEERO C[NH+]=C(NCC(C)(C)CC(C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261825701 526348469 /nfs/dbraw/zinc/34/84/69/526348469.db2.gz UYPHTXLECLWNQT-SFHVURJKSA-N 1 0 322.497 2.236 10 30 DEEERO C[NH+]=C(NC[C@@H](O)C1CCCCC1)N(C)Cc1csc(C)n1 ZINC000261691359 526368985 /nfs/dbraw/zinc/36/89/85/526368985.db2.gz INIMUHXPFKKAHN-OAHLLOKOSA-N 1 0 324.494 2.400 10 30 DEEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262767271 526370465 /nfs/dbraw/zinc/37/04/65/526370465.db2.gz GJXLTHJANQEVTG-RVMXOQNASA-N 1 0 321.387 2.434 10 30 DEEERO C[NH+]=C(NC[C@H](O)C1CCCCC1)N(C)Cc1csc(C)n1 ZINC000261691356 526376665 /nfs/dbraw/zinc/37/66/65/526376665.db2.gz INIMUHXPFKKAHN-HNNXBMFYSA-N 1 0 324.494 2.400 10 30 DEEERO C[NH+]=C(NCc1nccn1C)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000262000691 526391069 /nfs/dbraw/zinc/39/10/69/526391069.db2.gz UIKRVYFSJYZQLP-LBPRGKRZSA-N 1 0 303.385 2.294 10 30 DEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000261724067 526394254 /nfs/dbraw/zinc/39/42/54/526394254.db2.gz LAKDQNURWNJLPZ-HZPDHXFCSA-N 1 0 323.481 2.410 10 30 DEEERO C[NH+]=C(N[C@@H]1C[C@]1(C)c1ccccc1OC)NC1CCOCC1 ZINC000262364465 526394473 /nfs/dbraw/zinc/39/44/73/526394473.db2.gz HJHDTXPQOVHERO-SJLPKXTDSA-N 1 0 317.433 2.069 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C(F)F)CC1 ZINC000337690656 526425755 /nfs/dbraw/zinc/42/57/55/526425755.db2.gz OATKLZFICDXQBP-CYBMUJFWSA-N 1 0 301.381 2.466 10 30 DEEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccncc2OC)CC1 ZINC000189887632 526437530 /nfs/dbraw/zinc/43/75/30/526437530.db2.gz AVIFPTBTEUXCBE-ZDUSSCGKSA-N 1 0 318.421 2.101 10 30 DEEERO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](n3ncc4ccccc43)C2)C1=O ZINC000337206624 526482419 /nfs/dbraw/zinc/48/24/19/526482419.db2.gz MXOYIVBIPBZNHK-DOTOQJQBSA-N 1 0 310.401 2.070 10 30 DEEERO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)C1=O ZINC000337139832 526508251 /nfs/dbraw/zinc/50/82/51/526508251.db2.gz QNBQNZPGHODIMD-CABCVRRESA-N 1 0 314.385 2.339 10 30 DEEERO C=CCN1CC[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1=O ZINC000337193582 526514333 /nfs/dbraw/zinc/51/43/33/526514333.db2.gz VOGKBCFGNSCSPU-CABCVRRESA-N 1 0 303.362 2.422 10 30 DEEERO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000362026944 526597640 /nfs/dbraw/zinc/59/76/40/526597640.db2.gz NRYMEHCEGFNOOA-HOTGVXAUSA-N 1 0 315.417 2.314 10 30 DEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246478292 526632783 /nfs/dbraw/zinc/63/27/83/526632783.db2.gz GKPBIOISGGXLEK-JQFCIGGWSA-N 1 0 320.408 2.404 10 30 DEEERO C#CCC(CC#C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000373038291 526674989 /nfs/dbraw/zinc/67/49/89/526674989.db2.gz SRFGJQXUWPEZLI-IBGZPJMESA-N 1 0 308.425 2.430 10 30 DEEERO C=CCOCCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000378565277 526774607 /nfs/dbraw/zinc/77/46/07/526774607.db2.gz WXDHZTWRYDMQDM-UHFFFAOYSA-N 1 0 321.421 2.088 10 30 DEEERO C=CCOCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000378554848 526775708 /nfs/dbraw/zinc/77/57/08/526775708.db2.gz CDEBYKTXUJVHEZ-IAGOWNOFSA-N 1 0 323.481 2.485 10 30 DEEERO C=CCOCC[NH2+][C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000378545022 526781909 /nfs/dbraw/zinc/78/19/09/526781909.db2.gz NAJALJZZGIWBCE-AEFFLSMTSA-N 1 0 304.434 2.068 10 30 DEEERO C=CCOc1ccc(CN2CC[N@H+](CCO)[C@H](C)C2)cc1Cl ZINC000190244356 526869219 /nfs/dbraw/zinc/86/92/19/526869219.db2.gz UBOIXZLTFGDEOW-CQSZACIVSA-N 1 0 324.852 2.403 10 30 DEEERO C=CCOc1cccc(C[NH2+]CC(=O)NCc2ccco2)c1 ZINC000338161747 526901980 /nfs/dbraw/zinc/90/19/80/526901980.db2.gz YSBYUMQBDLPZHT-UHFFFAOYSA-N 1 0 300.358 2.250 10 30 DEEERO C=CCOc1ccccc1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417602823 526938052 /nfs/dbraw/zinc/93/80/52/526938052.db2.gz WRIAXESIPRVTLW-MRXNPFEDSA-N 1 0 315.417 2.287 10 30 DEEERO C=CCC1(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)CCC1 ZINC000188717453 527039483 /nfs/dbraw/zinc/03/94/83/527039483.db2.gz XRNPQGJBIAUGRP-OAHLLOKOSA-N 1 0 308.466 2.284 10 30 DEEERO C=CCCCCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000370375410 527152611 /nfs/dbraw/zinc/15/26/11/527152611.db2.gz UQMHHFQWBFFLGT-KRWDZBQOSA-N 1 0 322.497 2.154 10 30 DEEERO C=CCn1c([C@H](C)CC)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000337838319 527356844 /nfs/dbraw/zinc/35/68/44/527356844.db2.gz DHIHEBAEZDJVKB-HUUCEWRRSA-N 1 0 321.469 2.135 10 30 DEEERO C=CCC[C@@H](O)C[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247374215 527454085 /nfs/dbraw/zinc/45/40/85/527454085.db2.gz KUMCIHOMCDQAAH-HZPDHXFCSA-N 1 0 324.490 2.380 10 30 DEEERO C(#Cc1ccccc1)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000192012966 527466036 /nfs/dbraw/zinc/46/60/36/527466036.db2.gz BKPQCMRHWFQURK-KRWDZBQOSA-N 1 0 306.413 2.455 10 30 DEEERO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246827457 527611041 /nfs/dbraw/zinc/61/10/41/527611041.db2.gz ZEXSOTAHDKAOBZ-JKSUJKDBSA-N 1 0 318.417 2.368 10 30 DEEERO CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C[C@@H]1CCCCO1 ZINC000246381824 527886993 /nfs/dbraw/zinc/88/69/93/527886993.db2.gz UCAKQSVTYMPVCX-CVEARBPZSA-N 1 0 309.454 2.276 10 30 DEEERO CCOC(=O)[C@H]1CCCN(C(NC[C@H]2CC=CCC2)=[NH+]C)C1 ZINC000261953658 528052300 /nfs/dbraw/zinc/05/23/00/528052300.db2.gz IDPCHOAGPKLEJN-GJZGRUSLSA-N 1 0 307.438 2.193 10 30 DEEERO CC[N@H+](CCO)CCNc1ccc(C#N)cc1Br ZINC000302221105 528551525 /nfs/dbraw/zinc/55/15/25/528551525.db2.gz NPIGNJXUDJIJEA-UHFFFAOYSA-N 1 0 312.211 2.047 10 30 DEEERO CC[N@H+](CCO)CCNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000302230811 528551800 /nfs/dbraw/zinc/55/18/00/528551800.db2.gz XBVDTQZUHPWYLO-UHFFFAOYSA-N 1 0 318.808 2.486 10 30 DEEERO CC[NH+]=C(NCC1(C)CC1)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000262405653 528802164 /nfs/dbraw/zinc/80/21/64/528802164.db2.gz OLABTKQZSWOEGL-ZDUSSCGKSA-N 1 0 318.469 2.072 10 30 DEEERO C[NH+]=C(NCCn1cccn1)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000157218619 625194015 /nfs/dbraw/zinc/19/40/15/625194015.db2.gz WSBCADSYUXPLFA-ZDUSSCGKSA-N 1 0 303.385 2.257 10 30 DEEERO C#C[C@@H](C)OC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000180779696 625225139 /nfs/dbraw/zinc/22/51/39/625225139.db2.gz NWWBMTGGVOUNOV-OAHLLOKOSA-N 1 0 300.402 2.396 10 30 DEEERO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(OCC#N)cc1 ZINC000181904323 625234588 /nfs/dbraw/zinc/23/45/88/625234588.db2.gz AYUAXVJYRTUJAI-YOEHRIQHSA-N 1 0 304.390 2.029 10 30 DEEERO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(OCC#N)cc1 ZINC000181904340 625234656 /nfs/dbraw/zinc/23/46/56/625234656.db2.gz AYUAXVJYRTUJAI-PBHICJAKSA-N 1 0 304.390 2.029 10 30 DEEERO C[NH+]=C(NCCNc1ncc(Cl)cc1Cl)N[C@@H]1C[C@@H]1C ZINC000083908283 633799730 /nfs/dbraw/zinc/79/97/30/633799730.db2.gz MAPVXWFBHPWJFJ-GZMMTYOYSA-N 1 0 316.236 2.374 10 30 DEEERO CC(C)[C@@H](C(=O)OCC1(C#N)CCOCC1)[NH+]1CCCCC1 ZINC000126334889 636553138 /nfs/dbraw/zinc/55/31/38/636553138.db2.gz BHCJLDPTHQJPKA-HNNXBMFYSA-N 1 0 308.422 2.360 10 30 DEEERO C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000743198195 638123821 /nfs/dbraw/zinc/12/38/21/638123821.db2.gz ASYKPCGEMFGQIL-CYBMUJFWSA-N 1 0 305.353 2.053 10 30 DEEERO COc1ccc(CNC(=O)N(CC[NH+](C)C)C(C)C)cc1C#N ZINC000749201577 638622169 /nfs/dbraw/zinc/62/21/69/638622169.db2.gz BAFQRYCJJUVBPY-UHFFFAOYSA-N 1 0 318.421 2.048 10 30 DEEERO C#CCN1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000752511388 639191629 /nfs/dbraw/zinc/19/16/29/639191629.db2.gz KGSHRYLHZYRWBH-AHEZYBDSSA-N 1 0 312.413 2.153 10 30 DEEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N1CCC2(C1)CCCCC2 ZINC000262816496 639891052 /nfs/dbraw/zinc/89/10/52/639891052.db2.gz WXBFJUBCDJVPCF-NSHDSACASA-N 1 0 307.360 2.141 10 30 DEEERO C#CCC(CC#C)C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000807678625 645975916 /nfs/dbraw/zinc/97/59/16/645975916.db2.gz CFBBNRXUBJUUCC-GOEBONIOSA-N 1 0 300.402 2.488 10 30 DEEERO C=CCn1c(C)nn(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1=S ZINC000732189219 647548624 /nfs/dbraw/zinc/54/86/24/647548624.db2.gz QEANXANCQJLPDS-AWEZNQCLSA-N 1 0 307.467 2.035 10 30 DEEERO C#CCOCCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183172323 649045600 /nfs/dbraw/zinc/04/56/00/649045600.db2.gz GEESHAHGBQKXKF-KRWDZBQOSA-N 1 0 301.386 2.234 10 30 DEEERO C=CCc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(O)c(OC)c1 ZINC000184285770 649253686 /nfs/dbraw/zinc/25/36/86/649253686.db2.gz XPOUCRWQKHSCIB-GOSISDBHSA-N 1 0 319.401 2.121 10 30 DEEERO [NH2+]=C(NC[C@H]1CCCO1)NCC1(Cc2ccccc2)CCC1 ZINC000304997522 685264346 /nfs/dbraw/zinc/26/43/46/685264346.db2.gz MKUGYOIFWAENJL-MRXNPFEDSA-N 1 0 301.434 2.483 10 30 DEEERO COc1ccc(C[NH+]=C(N(C)C)N(C)C)cc1OC(F)F ZINC000104165201 684058338 /nfs/dbraw/zinc/05/83/38/684058338.db2.gz UGVFNNBMTPZZDG-UHFFFAOYSA-N 1 0 301.337 2.276 10 30 DEEERO CCOCCCNC(=[NH2+])NCc1ccccc1-n1ccc(C)n1 ZINC000128766320 684173775 /nfs/dbraw/zinc/17/37/75/684173775.db2.gz NFNPFGHSHZRGPU-UHFFFAOYSA-N 1 0 315.421 2.012 10 30 DEEERO C#CCC(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190659231 684410583 /nfs/dbraw/zinc/41/05/83/684410583.db2.gz GZTUPKBFOWFUTH-KRWDZBQOSA-N 1 0 313.445 2.411 10 30 DEEERO CN(C)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)c1ccccc1Cl ZINC000195522080 685101726 /nfs/dbraw/zinc/10/17/26/685101726.db2.gz GWLOXOLIXMIJRD-SWLSCSKDSA-N 1 0 324.856 2.026 10 30 DEEERO