smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@](C)(O)CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261948930 529509024 /nfs/dbraw/zinc/50/90/24/529509024.db2.gz GTHBDCHOVZRVBV-CYBMUJFWSA-N 1 0 305.444 0.232 10 30 DCEERO CN1CCC[NH+]=C1NCC(=O)N[C@H]1CCOc2ccccc21 ZINC000263170209 530054058 /nfs/dbraw/zinc/05/40/58/530054058.db2.gz RYCASJPDROHGAP-ZDUSSCGKSA-N 1 0 302.378 0.908 10 30 DCEERO C[NH+](C)CCOc1ccccc1C(=O)N1CCN(CC#N)CC1 ZINC000152771988 237011002 /nfs/dbraw/zinc/01/10/02/237011002.db2.gz HEOOZJSHOPGTFU-UHFFFAOYSA-N 1 0 316.405 0.908 10 30 DCEERO Cn1cnc(CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)n1 ZINC000262799470 238181744 /nfs/dbraw/zinc/18/17/44/238181744.db2.gz QOTMTMYYSOWYST-UHFFFAOYSA-N 1 0 316.365 0.946 10 30 DCEERO C[C@H](O)C[N@@H+]1CCN(CC(=O)N(CCC#N)CCC#N)C[C@H]1C ZINC000247206366 238161311 /nfs/dbraw/zinc/16/13/11/238161311.db2.gz PHYWKVBCTRUXPR-CABCVRRESA-N 1 0 321.425 0.029 10 30 DCEERO N#C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C1CC1 ZINC000377677765 239240837 /nfs/dbraw/zinc/24/08/37/239240837.db2.gz RZABFEAWNVBTEN-BBRMVZONSA-N 1 0 317.437 0.852 10 30 DCEERO COc1cccc(NC(=[NH2+])NC[C@@H]2CS(=O)(=O)CCO2)c1 ZINC000262684675 533575127 /nfs/dbraw/zinc/57/51/27/533575127.db2.gz XZFWUNLVCJXKAV-GFCCVEGCSA-N 1 0 313.379 0.235 10 30 DCEERO CN(CC(N)=O)C[C@H]1CN(Cc2cccc(C#N)c2)CCO1 ZINC000275842989 130396115 /nfs/dbraw/zinc/39/61/15/130396115.db2.gz WEKVLFVGWHLBJM-HNNXBMFYSA-N 1 0 302.378 0.176 10 30 DCEERO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000246142082 395942521 /nfs/dbraw/zinc/94/25/21/395942521.db2.gz RIADLMMFRRUACN-IAGOWNOFSA-N 1 0 301.390 0.998 10 30 DCEERO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000176010205 396147809 /nfs/dbraw/zinc/14/78/09/396147809.db2.gz RAIKNUMZIBANOV-ZDUSSCGKSA-N 1 0 316.336 0.942 10 30 DCEERO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000177678585 396181304 /nfs/dbraw/zinc/18/13/04/396181304.db2.gz BTBQIJQWKAYOHO-CQSZACIVSA-N 1 0 316.361 0.286 10 30 DCEERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000078255120 396240579 /nfs/dbraw/zinc/24/05/79/396240579.db2.gz WSVTYJVSQSVTAI-GOEBONIOSA-N 1 0 317.389 0.851 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CCN(C[C@H](O)CC)CC2)CC1 ZINC000181722027 396241635 /nfs/dbraw/zinc/24/16/35/396241635.db2.gz RKOIGZNCCGJRMQ-MRXNPFEDSA-N 1 0 324.469 0.735 10 30 DCEERO C=CCOCCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000612413662 397047984 /nfs/dbraw/zinc/04/79/84/397047984.db2.gz CRVFVJNKHPJFLJ-ZDUSSCGKSA-N 1 0 311.426 0.684 10 30 DCEERO C=CCSCCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593330481 397352791 /nfs/dbraw/zinc/35/27/91/397352791.db2.gz JUUMRMQOPLNCKF-UHFFFAOYSA-N 1 0 314.455 0.321 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593075153 397320491 /nfs/dbraw/zinc/32/04/91/397320491.db2.gz BLUQXDFAYGJCLD-LBPRGKRZSA-N 1 0 320.397 0.390 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593729501 397434320 /nfs/dbraw/zinc/43/43/20/397434320.db2.gz GJLCKLHNMPKROE-MCIONIFRSA-N 1 0 324.425 0.359 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CC[C@H](C(=O)OC)[C@H]2CCC[C@@H]21 ZINC000599649919 397495473 /nfs/dbraw/zinc/49/54/73/397495473.db2.gz FPRACQFOBJHXQC-AGIUHOORSA-N 1 0 323.393 0.662 10 30 DCEERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)nc1 ZINC000246060528 287076010 /nfs/dbraw/zinc/07/60/10/287076010.db2.gz DEGJLMBCROCJGG-SMDDNHRTSA-N 1 0 308.407 0.914 10 30 DCEERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000104076318 415621358 /nfs/dbraw/zinc/62/13/58/415621358.db2.gz AFNQXUAJMSLGTN-OLZOCXBDSA-N 1 0 305.382 0.228 10 30 DCEERO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887652 415733483 /nfs/dbraw/zinc/73/34/83/415733483.db2.gz ZITWNONLHQXMLK-OLZOCXBDSA-N 1 0 317.455 0.423 10 30 DCEERO CC(C)[N@H+]1C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000129779541 415913721 /nfs/dbraw/zinc/91/37/21/415913721.db2.gz RQVKHHQMEBUPNM-JQWIXIFHSA-N 1 0 305.382 0.096 10 30 DCEERO Cn1ccc(CCNC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)n1 ZINC000328845291 416135660 /nfs/dbraw/zinc/13/56/60/416135660.db2.gz AEHQJLQMTAWIBL-ZIAGYGMSSA-N 1 0 307.398 0.282 10 30 DCEERO CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCn4ncnc43)C[C@H]21 ZINC000328888539 416138324 /nfs/dbraw/zinc/13/83/24/416138324.db2.gz QEFJKWHWPQUVEG-JHJVBQTASA-N 1 0 320.397 0.432 10 30 DCEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000329043446 416147291 /nfs/dbraw/zinc/14/72/91/416147291.db2.gz IUZFBJAKIGZIFR-SYQHCUMBSA-N 1 0 323.441 0.931 10 30 DCEERO CCC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000329465770 416171075 /nfs/dbraw/zinc/17/10/75/416171075.db2.gz VRUKDVJIFGDDKE-MELADBBJSA-N 1 0 308.426 0.937 10 30 DCEERO C#CCNC(=O)[C@H](C)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248648090 416333776 /nfs/dbraw/zinc/33/37/76/416333776.db2.gz JHRALWATGUCYNM-RDJZCZTQSA-N 1 0 314.433 0.973 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000424536837 416661851 /nfs/dbraw/zinc/66/18/51/416661851.db2.gz BPNWIUBDFQNHGK-FQKPHLNHSA-N 1 0 321.421 0.198 10 30 DCEERO N#Cc1ccc(NC(=O)CC[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000368819078 416696229 /nfs/dbraw/zinc/69/62/29/416696229.db2.gz RQKGIWMKBOIGLJ-MRXNPFEDSA-N 1 0 314.389 0.903 10 30 DCEERO C=CCn1cc(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)nn1 ZINC000516647129 416731999 /nfs/dbraw/zinc/73/19/99/416731999.db2.gz JNKZPLQDIQHMAW-CHWSQXEVSA-N 1 0 322.413 0.061 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000372587728 416938634 /nfs/dbraw/zinc/93/86/34/416938634.db2.gz RJZUMDSNXGXCQC-UPJWGTAASA-N 1 0 300.428 0.491 10 30 DCEERO C=CC[C@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632591330 417184330 /nfs/dbraw/zinc/18/43/30/417184330.db2.gz UHKPDQIRGLUZRE-HNNXBMFYSA-N 1 0 315.483 0.852 10 30 DCEERO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451128487 417301830 /nfs/dbraw/zinc/30/18/30/417301830.db2.gz XPRWBATZQVCGRR-CQSZACIVSA-N 1 0 322.405 0.699 10 30 DCEERO C=CC[C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627452182 417417098 /nfs/dbraw/zinc/41/70/98/417417098.db2.gz DCLACWWBOBSCBZ-ZDUSSCGKSA-N 1 0 309.410 0.425 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000571754173 417452424 /nfs/dbraw/zinc/45/24/24/417452424.db2.gz KZBGOYPZXWOYNS-ZNMIVQPWSA-N 1 0 308.426 0.267 10 30 DCEERO CC[N@@H+]1CC[C@H](N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000266199206 276225871 /nfs/dbraw/zinc/22/58/71/276225871.db2.gz DCUABCBMJPWLSG-AAEUAGOBSA-N 1 0 319.409 0.122 10 30 DCEERO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)CCCCC#N)[C@H]2C1 ZINC000408028284 277154522 /nfs/dbraw/zinc/15/45/22/277154522.db2.gz PFQVTYPBIPDVPP-STQMWFEESA-N 1 0 301.412 0.415 10 30 DCEERO CS(=O)(=O)N1CCCC[C@H]1CNC(=[NH2+])N1CCSCC1 ZINC000262637279 277496169 /nfs/dbraw/zinc/49/61/69/277496169.db2.gz HAODVGNOMMYQHA-NSHDSACASA-N 1 0 320.484 0.164 10 30 DCEERO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)ncn1 ZINC000105797681 335788063 /nfs/dbraw/zinc/78/80/63/335788063.db2.gz WSLPUNFPNJHGAM-CHWSQXEVSA-N 1 0 318.425 0.767 10 30 DCEERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000330212421 336124837 /nfs/dbraw/zinc/12/48/37/336124837.db2.gz KDKQCCRZSCPPGF-LALPHHSUSA-N 1 0 321.425 0.568 10 30 DCEERO C=CC[C@H](CO)CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418672038 337388665 /nfs/dbraw/zinc/38/86/65/337388665.db2.gz LXMZXRTUFOXDTG-FHERZECASA-N 1 0 324.469 0.687 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000425725291 338016456 /nfs/dbraw/zinc/01/64/56/338016456.db2.gz MBBZVVOORMPIRU-HOCLYGCPSA-N 1 0 324.469 0.903 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000425903092 338018644 /nfs/dbraw/zinc/01/86/44/338018644.db2.gz WZAJSJWNNRKCML-GJZGRUSLSA-N 1 0 323.437 0.638 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000425911039 338018932 /nfs/dbraw/zinc/01/89/32/338018932.db2.gz ZXDWWHAHGJTAAD-RDBSUJKOSA-N 1 0 311.426 0.540 10 30 DCEERO C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)C[C@H]1N1CCOCC1 ZINC000245527942 533922845 /nfs/dbraw/zinc/92/28/45/533922845.db2.gz DFUFHJOGEYFIQL-LSDHHAIUSA-N 1 0 308.426 0.401 10 30 DCEERO COC(=O)c1ccc(CNC(=[NH2+])N2CCOCC2)nc1C1CC1 ZINC000262529378 534065428 /nfs/dbraw/zinc/06/54/28/534065428.db2.gz HQOCTPWEQLNVBZ-UHFFFAOYSA-N 1 0 318.377 0.893 10 30 DCEERO C[NH+]=C(NCCn1cc(C)cn1)N1CCN(C2CC2)C(=O)C1 ZINC000262748464 526366548 /nfs/dbraw/zinc/36/65/48/526366548.db2.gz AYRKQNZSDARGAJ-UHFFFAOYSA-N 1 0 304.398 0.074 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@H](CN2CCOCC2)C1 ZINC000262814730 526370616 /nfs/dbraw/zinc/37/06/16/526370616.db2.gz WKWIXBFGMJPNFR-PMPSAXMXSA-N 1 0 324.469 0.377 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CCc2nc(C)nn2C1 ZINC000262823552 526370758 /nfs/dbraw/zinc/37/07/58/526370758.db2.gz YXSLDWKCWPJRBU-AVGNSLFASA-N 1 0 306.414 0.227 10 30 DCEERO C[NH+]=C(NCc1ccn(C)c1)NC[C@@](C)(O)c1cnn(C)c1 ZINC000262377345 526386105 /nfs/dbraw/zinc/38/61/05/526386105.db2.gz JSVURRUGHRRXHV-OAHLLOKOSA-N 1 0 304.398 0.331 10 30 DCEERO CNC(=O)CCNC(N[C@H]1CCc2cn(C(C)C)nc2C1)=[NH+]C ZINC000261944849 526412658 /nfs/dbraw/zinc/41/26/58/526412658.db2.gz FMKQLWWCCLOJSZ-ZDUSSCGKSA-N 1 0 320.441 0.622 10 30 DCEERO CNC(=O)CCNC(N[C@@H]1CCc2cn(C(C)C)nc2C1)=[NH+]C ZINC000261944847 526413412 /nfs/dbraw/zinc/41/34/12/526413412.db2.gz FMKQLWWCCLOJSZ-CYBMUJFWSA-N 1 0 320.441 0.622 10 30 DCEERO C=CCN1CC[C@@H]([NH+]2CCC(C3N=NC(=O)N3CC)CC2)C1=O ZINC000377570349 526476875 /nfs/dbraw/zinc/47/68/75/526476875.db2.gz FQYCAQRLDZGQEQ-CYBMUJFWSA-N 1 0 319.409 0.970 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](CC(N)=O)C2)CC1 ZINC000376744484 526586573 /nfs/dbraw/zinc/58/65/73/526586573.db2.gz UITBOLAWKKVSQL-CYBMUJFWSA-N 1 0 308.426 0.934 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)CC1 ZINC000173972658 526922573 /nfs/dbraw/zinc/92/25/73/526922573.db2.gz JBKJYPKTBKNMBR-DOTOQJQBSA-N 1 0 319.449 0.511 10 30 DCEERO C=CC[C@H](CO)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000183520595 527195061 /nfs/dbraw/zinc/19/50/61/527195061.db2.gz RKPSJZKQTYUJPA-DZGCQCFKSA-N 1 0 311.426 0.724 10 30 DCEERO CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000408038455 527929824 /nfs/dbraw/zinc/92/98/24/527929824.db2.gz NENCRILGYZUFEP-DZKIICNBSA-N 1 0 308.426 0.446 10 30 DCEERO CCOCC[N@@H+]1CCN(C(=O)Cn2cnc(C#N)n2)C[C@H]1CC ZINC000178588127 528737338 /nfs/dbraw/zinc/73/73/38/528737338.db2.gz NIHPKUVVCDIRQV-CYBMUJFWSA-N 1 0 320.397 0.109 10 30 DCEERO CC[NH+]=C(NCC1(O)CCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000262809497 528803527 /nfs/dbraw/zinc/80/35/27/528803527.db2.gz URHDAXFGBDBVQD-UHFFFAOYSA-N 1 0 308.426 0.564 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCOC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261801765 528811332 /nfs/dbraw/zinc/81/13/32/528811332.db2.gz RNQOXPLFYKCIFB-XJKSGUPXSA-N 1 0 308.426 0.591 10 30 DCEERO Cc1nnc2n1C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)CC2 ZINC000329632086 546053016 /nfs/dbraw/zinc/05/30/16/546053016.db2.gz IKUISVBSOPEQJX-QWHCGFSZSA-N 1 0 306.414 0.699 10 30 DCEERO Cc1nnc2n1C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)CC2 ZINC000329632087 546053134 /nfs/dbraw/zinc/05/31/34/546053134.db2.gz IKUISVBSOPEQJX-STQMWFEESA-N 1 0 306.414 0.699 10 30 DCEERO C=CCCC(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000726651499 661662877 /nfs/dbraw/zinc/66/28/77/661662877.db2.gz SQJSOBWQQDUOMT-CQSZACIVSA-N 1 0 312.410 0.969 10 30 DCEERO C#CCNC(=O)C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000733999608 666834564 /nfs/dbraw/zinc/83/45/64/666834564.db2.gz JUWNJGDXCILWQB-SFHVURJKSA-N 1 0 315.417 0.353 10 30 DCEERO CN(CCOCC[NH3+])S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720223901 685312329 /nfs/dbraw/zinc/31/23/29/685312329.db2.gz KFUDMCZKIFJLIV-UHFFFAOYSA-N 1 0 301.343 0.293 10 30 DCEERO CCc1nc(CCNC(=[NH+]C)N2CC[C@]3(CCOC3)C2)no1 ZINC000261970588 529733567 /nfs/dbraw/zinc/73/35/67/529733567.db2.gz MORYVSYRSJITRW-HNNXBMFYSA-N 1 0 307.398 0.862 10 30 DCEERO C#CCNC(=O)CC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000271620270 209066231 /nfs/dbraw/zinc/06/62/31/209066231.db2.gz BOMXGQUIADOXDI-LLVKDONJSA-N 1 0 309.391 0.124 10 30 DCEERO CS(=O)(=O)N1CCCC[C@H]1CNC(=[NH2+])NCC1CCC1 ZINC000262680699 533384337 /nfs/dbraw/zinc/38/43/37/533384337.db2.gz VZNMLOGRGZAGLW-LBPRGKRZSA-N 1 0 302.444 0.505 10 30 DCEERO CC[C@@H]1CN(CC(=O)N(CC)CCC#N)CC[N@@H+]1C[C@@H](C)O ZINC000105827469 395780710 /nfs/dbraw/zinc/78/07/10/395780710.db2.gz DVPWJJCVLMFRBL-HUUCEWRRSA-N 1 0 310.442 0.526 10 30 DCEERO C=CCn1nnnc1SCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000052910463 395872684 /nfs/dbraw/zinc/87/26/84/395872684.db2.gz UIAPGKYSFAKMRD-UHFFFAOYSA-N 1 0 322.438 0.694 10 30 DCEERO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000252891521 396024780 /nfs/dbraw/zinc/02/47/80/396024780.db2.gz KXJPOLDRBPRRSF-ZDUSSCGKSA-N 1 0 306.391 0.812 10 30 DCEERO CN(CC(=O)N1CC[NH2+]CC1)c1nc2c(cc1C#N)CCCC2 ZINC000261795671 396067561 /nfs/dbraw/zinc/06/75/61/396067561.db2.gz UHZQINVVFPJRMU-UHFFFAOYSA-N 1 0 313.405 0.700 10 30 DCEERO C[NH+](C)[C@@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000163129042 396085910 /nfs/dbraw/zinc/08/59/10/396085910.db2.gz WYYOCRZKWBPGAJ-CQSZACIVSA-N 1 0 307.419 0.968 10 30 DCEERO C=CCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000262279116 396117537 /nfs/dbraw/zinc/11/75/37/396117537.db2.gz KMPOSYPFWKQERY-AGIUHOORSA-N 1 0 300.424 0.706 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000171870870 396126972 /nfs/dbraw/zinc/12/69/72/396126972.db2.gz LICLDCRAKVQWIM-ZDUSSCGKSA-N 1 0 304.398 0.543 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](COC)C1CCOCC1 ZINC000594713093 396499405 /nfs/dbraw/zinc/49/94/05/396499405.db2.gz YHULWURLIRPHPL-DGCLKSJQSA-N 1 0 313.398 0.418 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000611648966 396902990 /nfs/dbraw/zinc/90/29/90/396902990.db2.gz LMPPJXPAOYDGLF-GXTWGEPZSA-N 1 0 309.410 0.294 10 30 DCEERO CN(CCC#N)C(=O)CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000591664006 396969053 /nfs/dbraw/zinc/96/90/53/396969053.db2.gz GUNZFRHENJVEID-KFWWJZLASA-N 1 0 308.426 0.326 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000611978367 396969212 /nfs/dbraw/zinc/96/92/12/396969212.db2.gz OFTKCAIZEDCJCX-MRXNPFEDSA-N 1 0 324.469 0.600 10 30 DCEERO C=CCCN(C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625747557 396996983 /nfs/dbraw/zinc/99/69/83/396996983.db2.gz RNLMWHZRMOZBAK-UHFFFAOYSA-N 1 0 323.437 0.734 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000597444443 396974587 /nfs/dbraw/zinc/97/45/87/396974587.db2.gz ANBXFRXXPHZUSR-MJBXVCDLSA-N 1 0 313.467 0.961 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000611999525 396977782 /nfs/dbraw/zinc/97/77/82/396977782.db2.gz WHNQPSLVEMUGHN-IHRRRGAJSA-N 1 0 309.410 0.294 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000612003482 396978971 /nfs/dbraw/zinc/97/89/71/396978971.db2.gz JBHSQQAPKBOWLT-MJBXVCDLSA-N 1 0 309.410 0.246 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CC[C@H](C[NH3+])c2ccccc21 ZINC000601962199 397273890 /nfs/dbraw/zinc/27/38/90/397273890.db2.gz BXDAIRRNHRGCCJ-GFCCVEGCSA-N 1 0 302.378 0.951 10 30 DCEERO N#Cc1ccc(S(=O)(=O)NCCOCCC[NH3+])cc1Cl ZINC000599110278 397340285 /nfs/dbraw/zinc/34/02/85/397340285.db2.gz ONHCHAMXTMNXPB-UHFFFAOYSA-N 1 0 317.798 0.855 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000578368551 397428966 /nfs/dbraw/zinc/42/89/66/397428966.db2.gz WCORZVSSHSDGHK-ZFWWWQNUSA-N 1 0 311.426 0.988 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593729506 397434286 /nfs/dbraw/zinc/43/42/86/397434286.db2.gz GJLCKLHNMPKROE-MJBXVCDLSA-N 1 0 324.425 0.359 10 30 DCEERO C=C(C)C[C@H](NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C(=O)OC ZINC000602599381 397446640 /nfs/dbraw/zinc/44/66/40/397446640.db2.gz ISRWHMBFENRFJN-WVMKXHBISA-N 1 0 308.378 0.425 10 30 DCEERO C=C(C)C[C@@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C(=O)OC ZINC000602599320 397447067 /nfs/dbraw/zinc/44/70/67/397447067.db2.gz HUYZCLSJAZXODV-NWDGAFQWSA-N 1 0 321.381 0.440 10 30 DCEERO C=C(C)C[C@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C(=O)OC ZINC000602599403 397447098 /nfs/dbraw/zinc/44/70/98/397447098.db2.gz IZRHBRMWAMQZKF-GWCFXTLKSA-N 1 0 306.366 0.724 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000075959894 415453044 /nfs/dbraw/zinc/45/30/44/415453044.db2.gz ZCRWIDXXINRAAT-JKSUJKDBSA-N 1 0 309.454 0.964 10 30 DCEERO CC[C@H]1CN(S(=O)(=O)CCCC#N)CCN1CCOC ZINC000117372207 415730826 /nfs/dbraw/zinc/73/08/26/415730826.db2.gz VEZDBFNMWFYRRD-ZDUSSCGKSA-N 1 0 303.428 0.663 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc[nH]n2)CC1 ZINC000343737006 415703329 /nfs/dbraw/zinc/70/33/29/415703329.db2.gz HKGRQCMMJUMXOD-UHFFFAOYSA-N 1 0 305.382 0.135 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000289505998 415708541 /nfs/dbraw/zinc/70/85/41/415708541.db2.gz UQDDMHZZKAZGHU-LBPRGKRZSA-N 1 0 319.409 0.867 10 30 DCEERO CC(=O)N1CCC[C@](O)(C(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000329078218 416148065 /nfs/dbraw/zinc/14/80/65/416148065.db2.gz QIOHXJNYGNNTNM-MRXNPFEDSA-N 1 0 309.410 0.968 10 30 DCEERO CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)nn1 ZINC000329496779 416172820 /nfs/dbraw/zinc/17/28/20/416172820.db2.gz DXICXNSIUAXPRN-HBJVGIJOSA-N 1 0 323.397 0.652 10 30 DCEERO CN1CCO[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329776984 416190024 /nfs/dbraw/zinc/19/00/24/416190024.db2.gz OQJHQTPUPGIJRW-JALIKCBVSA-N 1 0 310.442 0.836 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000424550704 416663109 /nfs/dbraw/zinc/66/31/09/416663109.db2.gz UBRNMLNSFVKXMO-RDBSUJKOSA-N 1 0 309.410 0.152 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000424550703 416663835 /nfs/dbraw/zinc/66/38/35/416663835.db2.gz UBRNMLNSFVKXMO-IHRRRGAJSA-N 1 0 309.410 0.152 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000372589400 416940077 /nfs/dbraw/zinc/94/00/77/416940077.db2.gz UANACQUFQLBPSA-MGPQQGTHSA-N 1 0 314.455 0.881 10 30 DCEERO CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000408038456 417134332 /nfs/dbraw/zinc/13/43/32/417134332.db2.gz NENCRILGYZUFEP-FMKPAKJESA-N 1 0 308.426 0.446 10 30 DCEERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408060911 417138455 /nfs/dbraw/zinc/13/84/55/417138455.db2.gz KEYRRTWWERBHQV-QWHCGFSZSA-N 1 0 306.410 0.915 10 30 DCEERO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC000305780908 276011398 /nfs/dbraw/zinc/01/13/98/276011398.db2.gz TZGLUUJXQRQJKM-PMPSAXMXSA-N 1 0 322.453 0.381 10 30 DCEERO CC[C@H](O)C[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000118856370 288110520 /nfs/dbraw/zinc/11/05/20/288110520.db2.gz USVKQAWRXDOZMC-HOCLYGCPSA-N 1 0 310.442 0.429 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000261626811 332437281 /nfs/dbraw/zinc/43/72/81/332437281.db2.gz HEPKRXZVXMWUOC-UHFFFAOYSA-N 1 0 308.426 0.094 10 30 DCEERO COc1cc(N2CC3(CC[NH2+]CC3)OCC2=O)ncc1C#N ZINC000584633666 337377650 /nfs/dbraw/zinc/37/76/50/337377650.db2.gz ZIPAPBTVTWGBQY-UHFFFAOYSA-N 1 0 302.334 0.447 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000424542457 337856388 /nfs/dbraw/zinc/85/63/88/337856388.db2.gz IKNUGFYKAVCMLL-RMEBNNNOSA-N 1 0 321.421 0.280 10 30 DCEERO C=CCCn1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)nn1 ZINC000424747377 337965227 /nfs/dbraw/zinc/96/52/27/337965227.db2.gz ZHXJLOHNCITUMJ-ZDUSSCGKSA-N 1 0 307.398 0.431 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCc2ncnn2-c2ccccc2)CCO1 ZINC000262485751 533787403 /nfs/dbraw/zinc/78/74/03/533787403.db2.gz SMUKTDGPWZZTFO-LBPRGKRZSA-N 1 0 300.366 0.803 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCc2nc(-c3ccccn3)n[nH]2)CCO1 ZINC000263135006 534271908 /nfs/dbraw/zinc/27/19/08/534271908.db2.gz NNVFRKXYHHPLSU-SNVBAGLBSA-N 1 0 301.354 0.402 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000425876466 534587845 /nfs/dbraw/zinc/58/78/45/534587845.db2.gz BEOXXJYLAMUTGX-XQLPTFJDSA-N 1 0 323.437 0.683 10 30 DCEERO C[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CCN(C2CC2)C(=O)C1 ZINC000262767453 526374717 /nfs/dbraw/zinc/37/47/17/526374717.db2.gz HTPBGNKFECYXER-MRXNPFEDSA-N 1 0 320.393 0.369 10 30 DCEERO C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000261962312 526391105 /nfs/dbraw/zinc/39/11/05/526391105.db2.gz KOBTWEMUGLGWAA-LBPRGKRZSA-N 1 0 316.413 0.422 10 30 DCEERO C[NH+]=C(NCc1noc(C)n1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261855315 526393672 /nfs/dbraw/zinc/39/36/72/526393672.db2.gz XSYYCLNTMFLXQT-ZDUSSCGKSA-N 1 0 322.413 0.108 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000262389049 526395848 /nfs/dbraw/zinc/39/58/48/526395848.db2.gz LSRNTGJHZBRTNB-ZMJPVWNMSA-N 1 0 308.426 0.586 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CCC(=O)NC1 ZINC000261736049 526396373 /nfs/dbraw/zinc/39/63/73/526396373.db2.gz YUOPMSJIUDGDHO-ZMJPVWNMSA-N 1 0 306.410 0.388 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000363996572 526429445 /nfs/dbraw/zinc/42/94/45/526429445.db2.gz ILFHGPUDGCQLJP-OAHLLOKOSA-N 1 0 308.426 0.363 10 30 DCEERO C=CCOCCNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000367870296 526776990 /nfs/dbraw/zinc/77/69/90/526776990.db2.gz MCCQCJOZDAVAMY-OAHLLOKOSA-N 1 0 310.442 0.610 10 30 DCEERO C=CCNC(N[C@@H]1CCC[C@H]1C#N)=[NH+]C[C@@H]1CCS(=O)(=O)C1 ZINC000262473254 526956731 /nfs/dbraw/zinc/95/67/31/526956731.db2.gz ZHPUIKWOBWZMJI-MELADBBJSA-N 1 0 324.450 0.835 10 30 DCEERO C=CCCOCCNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000358324983 527340454 /nfs/dbraw/zinc/34/04/54/527340454.db2.gz PIWBJXPTTOGUAX-UHFFFAOYSA-N 1 0 323.437 0.828 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@@H](N2CCOCC2)C1 ZINC000262778839 528809006 /nfs/dbraw/zinc/80/90/06/528809006.db2.gz KFACOAFVBWGFFM-XHSDSOJGSA-N 1 0 324.469 0.519 10 30 DCEERO CCc1cccc(NC(=[NH2+])NC[C@@H]2CS(=O)(=O)CCO2)c1 ZINC000262477893 529176636 /nfs/dbraw/zinc/17/66/36/529176636.db2.gz CMHHWZTYBDBEGC-CYBMUJFWSA-N 1 0 311.407 0.789 10 30 DCEERO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[C@@H]1C ZINC000261616811 658228910 /nfs/dbraw/zinc/22/89/10/658228910.db2.gz GZUXNKAEEVXROR-CMPLNLGQSA-N 1 0 302.444 0.231 10 30 DCEERO C[NH+]=C(NCC(=O)Nc1cccnc1)NCc1ccnn1C ZINC000083857706 662972410 /nfs/dbraw/zinc/97/24/10/662972410.db2.gz OJAROUPDFUMPBC-UHFFFAOYSA-N 1 0 301.354 0.119 10 30 DCEERO C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N[C@@H]1CCc2ncnn2C1 ZINC000151246523 664298538 /nfs/dbraw/zinc/29/85/38/664298538.db2.gz SHMJVUZFDRGWSO-XHBSWPGZSA-N 1 0 320.441 0.962 10 30 DCEERO C=CCC1(O)CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000717450496 667826131 /nfs/dbraw/zinc/82/61/31/667826131.db2.gz WXKCVODNFRHWGS-CYBMUJFWSA-N 1 0 302.440 0.671 10 30 DCEERO C[NH+]=C(NCCC(=O)OC(C)(C)C)NCCN1CCOCC1 ZINC000304739259 685212089 /nfs/dbraw/zinc/21/20/89/685212089.db2.gz BEIFIUFSUYQBTR-UHFFFAOYSA-N 1 0 314.430 0.215 10 30 DCEERO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N+]12CCN(CC1)CC2 ZINC000007613045 717105344 /nfs/dbraw/zinc/10/53/44/717105344.db2.gz AOTBRMWZZYOFCT-ZDUSSCGKSA-O 1 0 318.397 0.931 10 30 DCEERO COc1cccc(CN(C)C(=O)C[N+]23CCN(CC2)CC3)c1 ZINC000011153421 717106999 /nfs/dbraw/zinc/10/69/99/717106999.db2.gz ROFYPTDJGZPUCE-UHFFFAOYSA-N 1 0 304.414 0.800 10 30 DCEERO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3CC[N@@H+](C)C[C@@H]31)CC2 ZINC000329471106 282120432 /nfs/dbraw/zinc/12/04/32/282120432.db2.gz ZHECWMRSDJHJNN-MJBXVCDLSA-N 1 0 318.425 0.841 10 30 DCEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000372587710 529408046 /nfs/dbraw/zinc/40/80/46/529408046.db2.gz RIGNXFNBUFJSSF-BFHYXJOUSA-N 1 0 314.455 0.881 10 30 DCEERO C[NH+]=C(NCCN1CCOCC1)N[C@@H]1COc2ccccc21 ZINC000185150754 530039353 /nfs/dbraw/zinc/03/93/53/530039353.db2.gz SDTBEVOMEPQLBA-CQSZACIVSA-N 1 0 304.394 0.617 10 30 DCEERO CN1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H]1C#N ZINC000333744565 530069141 /nfs/dbraw/zinc/06/91/41/530069141.db2.gz YCCQVQNPUNVFSA-HRCADAONSA-N 1 0 313.405 0.591 10 30 DCEERO [NH2+]=C(NCc1cccnc1N1CCOCC1)NC[C@@H]1CCCO1 ZINC000161492885 237094261 /nfs/dbraw/zinc/09/42/61/237094261.db2.gz JCVMPTJRIUMSEF-AWEZNQCLSA-N 1 0 319.409 0.502 10 30 DCEERO [NH2+]=C(NCCC1CCS(=O)(=O)CC1)NC[C@H]1CCCO1 ZINC000262474644 238175423 /nfs/dbraw/zinc/17/54/23/238175423.db2.gz BWHXZWMKGAWFNE-GFCCVEGCSA-N 1 0 303.428 0.285 10 30 DCEERO CN1CC[C@@H]2OCCN(S(=O)(=O)c3cccnc3C#N)[C@@H]2C1 ZINC000284887461 131119351 /nfs/dbraw/zinc/11/93/51/131119351.db2.gz FILLTEPAKGFOBS-OLZOCXBDSA-N 1 0 322.390 0.047 10 30 DCEERO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000091515151 395726075 /nfs/dbraw/zinc/72/60/75/395726075.db2.gz SITLWQBTXHOBDS-OAHLLOKOSA-N 1 0 323.437 0.734 10 30 DCEERO C[C@H]1CN(C(=O)c2ccnc(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000194065529 395787138 /nfs/dbraw/zinc/78/71/38/395787138.db2.gz ALHZVGTYRQDFQR-LBPRGKRZSA-N 1 0 302.378 0.870 10 30 DCEERO C=CC[C@@H](CO)NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000183684479 396273279 /nfs/dbraw/zinc/27/32/79/396273279.db2.gz XRWGMLYQEOTLRC-CABCVRRESA-N 1 0 312.458 0.496 10 30 DCEERO C[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CCN1CCO ZINC000188743068 396384883 /nfs/dbraw/zinc/38/48/83/396384883.db2.gz NWUXFUGZCVDVLM-JTQLQIEISA-N 1 0 309.316 0.975 10 30 DCEERO COc1cc(C[N@@H+]2CC[C@](O)(Cn3ccnn3)C2)ccc1C#N ZINC000585793411 396656443 /nfs/dbraw/zinc/65/64/43/396656443.db2.gz WONAOSWBVNCVQE-MRXNPFEDSA-N 1 0 313.361 0.795 10 30 DCEERO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595521984 396623473 /nfs/dbraw/zinc/62/34/73/396623473.db2.gz HLBKJQUUWHTPGC-AGIUHOORSA-N 1 0 310.394 0.862 10 30 DCEERO CO[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)[C@@](C)(C[NH3+])C1 ZINC000600886659 396963963 /nfs/dbraw/zinc/96/39/63/396963963.db2.gz SUGALTXTNAJPHX-JOYOIKCWSA-N 1 0 315.420 0.747 10 30 DCEERO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)n1cnc(C#N)n1 ZINC000619614466 397159295 /nfs/dbraw/zinc/15/92/95/397159295.db2.gz DBOVHMSNYGKCTH-JHJVBQTASA-N 1 0 302.382 0.653 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000614449473 397439465 /nfs/dbraw/zinc/43/94/65/397439465.db2.gz FNHZJVNZKCUYOG-HNNXBMFYSA-N 1 0 324.469 0.600 10 30 DCEERO C=C(C)C[C@@H](NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C(=O)OC ZINC000602599379 397447123 /nfs/dbraw/zinc/44/71/23/397447123.db2.gz ISRWHMBFENRFJN-PSEXLTFBSA-N 1 0 308.378 0.425 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599567091 397473927 /nfs/dbraw/zinc/47/39/27/397473927.db2.gz LVVZFTHKYNPYJH-XJKSGUPXSA-N 1 0 310.394 0.839 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](CCCF)CC1 ZINC000599671218 397502739 /nfs/dbraw/zinc/50/27/39/397502739.db2.gz OVZGXVLDLKVABF-GFCCVEGCSA-N 1 0 300.378 0.364 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602886716 397512058 /nfs/dbraw/zinc/51/20/58/397512058.db2.gz CQCSLGIDNPTBAO-STQMWFEESA-N 1 0 320.397 0.705 10 30 DCEERO C=CCSCCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599943730 397549852 /nfs/dbraw/zinc/54/98/52/397549852.db2.gz KLUYLSUSRQFHPJ-GASCZTMLSA-N 1 0 311.451 0.480 10 30 DCEERO C[C@H](Oc1ccccc1C#N)C(=O)NCCN1CC[NH+](C)CC1 ZINC000075712958 415450652 /nfs/dbraw/zinc/45/06/52/415450652.db2.gz BCPAAODMGFCNFB-AWEZNQCLSA-N 1 0 316.405 0.689 10 30 DCEERO C=CCN(C)C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000285364232 415612145 /nfs/dbraw/zinc/61/21/45/415612145.db2.gz ZBOZQHTZKHUQHR-OAHLLOKOSA-N 1 0 303.406 0.920 10 30 DCEERO C#CCNC(=O)[C@@H](C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863391 415634875 /nfs/dbraw/zinc/63/48/75/415634875.db2.gz MZHOSBGJWXWKLJ-OAHLLOKOSA-N 1 0 317.437 0.417 10 30 DCEERO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000111302067 415693862 /nfs/dbraw/zinc/69/38/62/415693862.db2.gz ONYNLPYVNGZHHV-INIZCTEOSA-N 1 0 322.453 0.935 10 30 DCEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)C(C)C ZINC000135626690 415961323 /nfs/dbraw/zinc/96/13/23/415961323.db2.gz FCPXAHMRCGWWBJ-STQMWFEESA-N 1 0 322.409 0.399 10 30 DCEERO Cc1nc(C(=O)N(CCC#N)CCC[NH+](C)C)c(=O)[nH]c1C ZINC000152606372 415967850 /nfs/dbraw/zinc/96/78/50/415967850.db2.gz RGNXIUYZXWGIIG-UHFFFAOYSA-N 1 0 305.382 0.694 10 30 DCEERO CC[C@@H](CO)[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000173746115 416063613 /nfs/dbraw/zinc/06/36/13/416063613.db2.gz GKUFPWDEKDPHPM-INIZCTEOSA-N 1 0 316.405 0.885 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177216734 416141946 /nfs/dbraw/zinc/14/19/46/416141946.db2.gz CWOHDQYPTVDCTI-RDBSUJKOSA-N 1 0 324.425 0.039 10 30 DCEERO CC[NH+]1CCC(NC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000328985959 416142941 /nfs/dbraw/zinc/14/29/41/416142941.db2.gz UBLMQQDNJSFTRC-QWHCGFSZSA-N 1 0 308.386 0.206 10 30 DCEERO CC(C)N1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1=O ZINC000329525532 416174436 /nfs/dbraw/zinc/17/44/36/416174436.db2.gz HDPJDUAFGMOEFP-IHRRRGAJSA-N 1 0 308.426 0.936 10 30 DCEERO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000358217205 416214390 /nfs/dbraw/zinc/21/43/90/416214390.db2.gz VOJVYKJHBAIHRS-CYBMUJFWSA-N 1 0 313.354 0.042 10 30 DCEERO COCC[NH2+]CCNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000193363006 416315578 /nfs/dbraw/zinc/31/55/78/416315578.db2.gz ZGDLXTIZOWJBQR-UHFFFAOYSA-N 1 0 317.798 0.726 10 30 DCEERO C=CCNC(=O)CN1CCN([C@@H](CC(C)C)C(=O)OC)CC1 ZINC000352096408 416286523 /nfs/dbraw/zinc/28/65/23/416286523.db2.gz FQBUTOHCGLJWKG-AWEZNQCLSA-N 1 0 311.426 0.494 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000583931172 416486523 /nfs/dbraw/zinc/48/65/23/416486523.db2.gz CVZAIZOAZLIZTL-XGUBFFRZSA-N 1 0 311.426 0.674 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000564888961 416896486 /nfs/dbraw/zinc/89/64/86/416896486.db2.gz BRSJWFZULJCHCK-QPSCCSFWSA-N 1 0 311.426 0.674 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000564888959 416898111 /nfs/dbraw/zinc/89/81/11/416898111.db2.gz BRSJWFZULJCHCK-AJNGGQMLSA-N 1 0 311.426 0.674 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000407958778 417127516 /nfs/dbraw/zinc/12/75/16/417127516.db2.gz STUUZOOXNZBFPQ-FRRDWIJNSA-N 1 0 302.444 0.737 10 30 DCEERO Cn1c(C#N)ccc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000450238869 268112612 /nfs/dbraw/zinc/11/26/12/268112612.db2.gz COJIQJJGYVFUGF-AWEZNQCLSA-N 1 0 304.394 0.863 10 30 DCEERO CC[C@@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000156549962 276536448 /nfs/dbraw/zinc/53/64/48/276536448.db2.gz FIIWPZGMPPJQNQ-IAGOWNOFSA-N 1 0 303.406 0.980 10 30 DCEERO C=C[C@@](C)(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000355344624 277909505 /nfs/dbraw/zinc/90/95/05/277909505.db2.gz HTIUFFSNSQYDAH-XJKSGUPXSA-N 1 0 313.442 0.522 10 30 DCEERO C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)n1cnc(C#N)n1 ZINC000547386036 288042012 /nfs/dbraw/zinc/04/20/12/288042012.db2.gz CMSRSOITZANYBZ-STQMWFEESA-N 1 0 302.382 0.798 10 30 DCEERO C[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@H+](C)C1CC1 ZINC000363405834 279330664 /nfs/dbraw/zinc/33/06/64/279330664.db2.gz IWGWWBWWSXDOSV-DOMZBBRYSA-N 1 0 305.426 0.851 10 30 DCEERO CC[C@H]1CN(CC(=O)N(CC)CCC#N)CC[N@@H+]1C[C@H](C)O ZINC000247042228 288282383 /nfs/dbraw/zinc/28/23/83/288282383.db2.gz DVPWJJCVLMFRBL-GJZGRUSLSA-N 1 0 310.442 0.526 10 30 DCEERO C=CCCCCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000582132770 333154216 /nfs/dbraw/zinc/15/42/16/333154216.db2.gz XTIYSHKMLGLHAC-AWEZNQCLSA-N 1 0 310.442 0.211 10 30 DCEERO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000330011006 336105823 /nfs/dbraw/zinc/10/58/23/336105823.db2.gz HMWSUGUUJBRRBI-RZFFKMDDSA-N 1 0 309.410 0.730 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000424536836 337853979 /nfs/dbraw/zinc/85/39/79/337853979.db2.gz BPNWIUBDFQNHGK-AHDPXTMNSA-N 1 0 321.421 0.198 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000425881727 338018172 /nfs/dbraw/zinc/01/81/72/338018172.db2.gz TWSISGPLLQBVJM-KKUMJFAQSA-N 1 0 311.426 0.724 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000425888581 338018406 /nfs/dbraw/zinc/01/84/06/338018406.db2.gz DOBFPDBVRZFLPF-IHRRRGAJSA-N 1 0 309.410 0.246 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000425910244 338018904 /nfs/dbraw/zinc/01/89/04/338018904.db2.gz UQTPLOYSFKJKON-QEJZJMRPSA-N 1 0 321.421 0.460 10 30 DCEERO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000153055393 533963801 /nfs/dbraw/zinc/96/38/01/533963801.db2.gz BXFAREBSYZSGOP-WBMJQRKESA-N 1 0 305.378 0.754 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000425859642 534586965 /nfs/dbraw/zinc/58/69/65/534586965.db2.gz FNWNEWVGNUVGBF-GJZGRUSLSA-N 1 0 323.437 0.686 10 30 DCEERO C[NH+]=C(NC1CCC1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000262785779 526344353 /nfs/dbraw/zinc/34/43/53/526344353.db2.gz MKDRUWCXIYJUOX-UHFFFAOYSA-N 1 0 307.442 0.354 10 30 DCEERO C[NH+]=C(NCC1CCOCC1)NC[C@H]1CCc2nnc(C)n2C1 ZINC000262774127 526352483 /nfs/dbraw/zinc/35/24/83/526352483.db2.gz JQTHKGNLSPATDZ-CQSZACIVSA-N 1 0 320.441 0.741 10 30 DCEERO C[NH+]=C(NCCc1ccc(O)cc1)N1CCN(C2CC2)C(=O)C1 ZINC000262752473 526365283 /nfs/dbraw/zinc/36/52/83/526365283.db2.gz AENUHUTZTXSGFR-UHFFFAOYSA-N 1 0 316.405 0.817 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@@H](N2CCOCC2)C1 ZINC000262794131 526370395 /nfs/dbraw/zinc/37/03/95/526370395.db2.gz PCUNNVRVDSNIKL-ZNMIVQPWSA-N 1 0 310.442 0.129 10 30 DCEERO C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCN(C2CC2)C(=O)C1 ZINC000262767450 526378827 /nfs/dbraw/zinc/37/88/27/526378827.db2.gz HTPBGNKFECYXER-INIZCTEOSA-N 1 0 320.393 0.369 10 30 DCEERO C[NH+]=C(NCc1cccc(OC)n1)N1CCN(C(C)=O)CC1 ZINC000262950555 526383360 /nfs/dbraw/zinc/38/33/60/526383360.db2.gz BTSDCBHJVJEMIX-UHFFFAOYSA-N 1 0 305.382 0.330 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000051952846 526607273 /nfs/dbraw/zinc/60/72/73/526607273.db2.gz AVDGDDCCEBFQPJ-ZDUSSCGKSA-N 1 0 308.426 0.947 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1 ZINC000173972638 526923411 /nfs/dbraw/zinc/92/34/11/526923411.db2.gz JBKJYPKTBKNMBR-RDJZCZTQSA-N 1 0 319.449 0.511 10 30 DCEERO CC(C)(CC(N)=O)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000186225846 526981765 /nfs/dbraw/zinc/98/17/65/526981765.db2.gz BXSUVRFITANAJA-UHFFFAOYSA-N 1 0 309.391 0.576 10 30 DCEERO C#CCNC(=O)[C@H](C)[NH+]1CCC(C2N=NC(=O)N2CC)CC1 ZINC000366906498 527025661 /nfs/dbraw/zinc/02/56/61/527025661.db2.gz VAVAWPJVDDQMFW-NSHDSACASA-N 1 0 305.382 0.321 10 30 DCEERO C#C[C@@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000186028293 527220964 /nfs/dbraw/zinc/22/09/64/527220964.db2.gz DJFWTCWCMHJHTR-JZWPEALZSA-N 1 0 304.438 0.961 10 30 DCEERO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000408403202 527936667 /nfs/dbraw/zinc/93/66/67/527936667.db2.gz TYRDGYAYURDXHS-KCXAZCMYSA-N 1 0 306.410 0.641 10 30 DCEERO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363624831 528708933 /nfs/dbraw/zinc/70/89/33/528708933.db2.gz NAUFAXPZKXGKMG-CHWSQXEVSA-N 1 0 300.428 0.493 10 30 DCEERO CC[NH+]=C(NCC1(O)CCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000153338909 528803305 /nfs/dbraw/zinc/80/33/05/528803305.db2.gz VWLXQZCVUPTELB-HNNXBMFYSA-N 1 0 324.469 0.664 10 30 DCEERO C[NH+]=C(NCCN(C)C1CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261943231 658864619 /nfs/dbraw/zinc/86/46/19/658864619.db2.gz FBDNYBRUBKCWBW-UHFFFAOYSA-N 1 0 316.471 0.165 10 30 DCEERO C[NH+]=C(NC[C@@H](O)C(F)(F)F)N1CCC(C(=O)OC)CC1 ZINC000073627997 665626587 /nfs/dbraw/zinc/62/65/87/665626587.db2.gz MGMUCADUSDNMCX-SECBINFHSA-N 1 0 311.304 0.370 10 30 DCEERO C[NH+]=C(NCc1cccc(OC)n1)N1CCC[C@@H](CC(N)=O)C1 ZINC000261853895 661753535 /nfs/dbraw/zinc/75/35/35/661753535.db2.gz YKWBCLLMIIWOKB-LBPRGKRZSA-N 1 0 319.409 0.753 10 30 DCEERO N#Cc1cc(S(N)(=O)=O)ccc1N1CC[NH+](CC2CC2)CC1 ZINC000742395186 667790566 /nfs/dbraw/zinc/79/05/66/667790566.db2.gz KDHPMQXLWQIIMO-UHFFFAOYSA-N 1 0 320.418 0.738 10 30 DCEERO C[NH2+]CCOCCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720236457 685312254 /nfs/dbraw/zinc/31/22/54/685312254.db2.gz NLPMZUXNWKIVRH-UHFFFAOYSA-N 1 0 301.343 0.212 10 30 DCEERO C#CCSCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000248448955 685175437 /nfs/dbraw/zinc/17/54/37/685175437.db2.gz DVXXLLHFCQSTJQ-KBPBESRZSA-N 1 0 313.467 0.839 10 30 DCEERO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N+]12CCN(CC1)CC2 ZINC000015454200 717111724 /nfs/dbraw/zinc/11/17/24/717111724.db2.gz GCCCVRKKTWLLTR-CQSZACIVSA-O 1 0 317.413 0.547 10 30 DCEERO COC(=O)c1cccc(NC(=O)C[N+]23CCN(CC2)CC3)c1 ZINC000029222002 717116739 /nfs/dbraw/zinc/11/67/39/717116739.db2.gz BYIZIFDRBGUBBD-UHFFFAOYSA-O 1 0 304.370 0.558 10 30 DCEERO CNC(NC[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1)=[NH+]C ZINC000262840654 529836546 /nfs/dbraw/zinc/83/65/46/529836546.db2.gz UKQSHPRWPSUDHO-SMDDNHRTSA-N 1 0 320.441 0.903 10 30 DCEERO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000174082074 198289174 /nfs/dbraw/zinc/28/91/74/198289174.db2.gz VYPIJMOONMBFJD-HZPDHXFCSA-N 1 0 309.454 0.964 10 30 DCEERO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)CC(C)(C)CC#N)[C@H]2C1 ZINC000408461754 283090310 /nfs/dbraw/zinc/09/03/10/283090310.db2.gz WMIHFEALKIEDMC-STQMWFEESA-N 1 0 315.439 0.661 10 30 DCEERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2ccnc2C#N)C1 ZINC000179860400 199088749 /nfs/dbraw/zinc/08/87/49/199088749.db2.gz YSEUXZUSGOLWEE-ZDUSSCGKSA-N 1 0 305.382 0.228 10 30 DCEERO [NH2+]=C(NCc1ccnc(N2CCOCC2)c1)NC[C@@H]1CCCO1 ZINC000261763620 238165979 /nfs/dbraw/zinc/16/59/79/238165979.db2.gz LRAGTCXKPMMSFL-AWEZNQCLSA-N 1 0 319.409 0.502 10 30 DCEERO C[C@@H](C[S@](C)=O)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000168869258 291249357 /nfs/dbraw/zinc/24/93/57/291249357.db2.gz FOGLTGCAMVUOSQ-JEOXALJRSA-N 1 0 314.432 0.689 10 30 DCEERO C=CCn1cc(CNS(=O)(=O)CC[NH+](CC)CC)nn1 ZINC000425179573 240302290 /nfs/dbraw/zinc/30/22/90/240302290.db2.gz QAGPXGMYGZSXEX-UHFFFAOYSA-N 1 0 301.416 0.225 10 30 DCEERO CN1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(C#N)nc3)[C@H]2C1 ZINC000284864118 131117222 /nfs/dbraw/zinc/11/72/22/131117222.db2.gz DBHVYHPBWGFHPB-KBPBESRZSA-N 1 0 322.390 0.047 10 30 DCEERO N#Cc1ccc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)cn1 ZINC000245198518 395927006 /nfs/dbraw/zinc/92/70/06/395927006.db2.gz OCJVAIHCLRUYPQ-ZDUSSCGKSA-N 1 0 306.391 0.812 10 30 DCEERO C[C@@H](C#N)CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000182841544 396255330 /nfs/dbraw/zinc/25/53/30/396255330.db2.gz PPSBRGWGHABEBP-LSDHHAIUSA-N 1 0 307.442 0.958 10 30 DCEERO C=CC[C@H](CO)NC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000183684495 396273470 /nfs/dbraw/zinc/27/34/70/396273470.db2.gz XRWGMLYQEOTLRC-LSDHHAIUSA-N 1 0 312.458 0.496 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000611886015 396944173 /nfs/dbraw/zinc/94/41/73/396944173.db2.gz QGPOAHIDSGJQEL-KFWWJZLASA-N 1 0 323.437 0.636 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000612004424 396979071 /nfs/dbraw/zinc/97/90/71/396979071.db2.gz UUIBFLWFENQEID-MJBXVCDLSA-N 1 0 323.437 0.683 10 30 DCEERO C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)n1cnc(C#N)n1 ZINC000619617293 397160640 /nfs/dbraw/zinc/16/06/40/397160640.db2.gz RFFFJJUQPAJVIT-WCQYABFASA-N 1 0 302.382 0.844 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593075151 397320713 /nfs/dbraw/zinc/32/07/13/397320713.db2.gz BLUQXDFAYGJCLD-GFCCVEGCSA-N 1 0 320.397 0.390 10 30 DCEERO CC[C@H](CO)[NH+]1CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000072797590 415415569 /nfs/dbraw/zinc/41/55/69/415415569.db2.gz QWQISSMKGDNYDG-LSDHHAIUSA-N 1 0 310.442 0.383 10 30 DCEERO C=CCCC[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000076735890 415455677 /nfs/dbraw/zinc/45/56/77/415455677.db2.gz VQYDBINDYUULAO-UHFFFAOYSA-N 1 0 319.409 0.722 10 30 DCEERO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CN2CCOCC2)C1=O ZINC000337171202 415922874 /nfs/dbraw/zinc/92/28/74/415922874.db2.gz FRMONMCUJHHGIR-CVEARBPZSA-N 1 0 307.438 0.960 10 30 DCEERO Cn1ncnc1[C@H]1COCCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000328877622 416136708 /nfs/dbraw/zinc/13/67/08/416136708.db2.gz KQYJTFKETCISOU-VXGBXAGGSA-N 1 0 308.386 0.197 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000340112782 416177076 /nfs/dbraw/zinc/17/70/76/416177076.db2.gz SIMBZIMADRWBCY-UHFFFAOYSA-N 1 0 324.469 0.553 10 30 DCEERO COC[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000329735257 416187142 /nfs/dbraw/zinc/18/71/42/416187142.db2.gz RWJUEELGRQXRND-HNNXBMFYSA-N 1 0 311.426 0.917 10 30 DCEERO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000352074686 416285916 /nfs/dbraw/zinc/28/59/16/416285916.db2.gz OJRDOSMHLAIIBH-ORIJERBGSA-N 1 0 308.426 0.444 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000246874133 416332380 /nfs/dbraw/zinc/33/23/80/416332380.db2.gz WFAJIAZGELEBSD-GJZGRUSLSA-N 1 0 307.438 0.245 10 30 DCEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(CCC#N)CCC#N ZINC000247475051 416332971 /nfs/dbraw/zinc/33/29/71/416332971.db2.gz SAFFRMNSACCENQ-GJZGRUSLSA-N 1 0 303.410 0.811 10 30 DCEERO CC[NH+]1CCN(CCCNC(=O)c2ccc(C#N)n2C)CC1 ZINC000448693230 417093368 /nfs/dbraw/zinc/09/33/68/417093368.db2.gz AJNGQPQVGVOJSJ-UHFFFAOYSA-N 1 0 303.410 0.654 10 30 DCEERO C=CCn1cc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)nn1 ZINC000576153714 417584841 /nfs/dbraw/zinc/58/48/41/417584841.db2.gz GLLDVNKOCKOWRJ-AWEZNQCLSA-N 1 0 302.382 0.620 10 30 DCEERO CS(=O)(=O)N1CC(C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000189699894 261132737 /nfs/dbraw/zinc/13/27/37/261132737.db2.gz XNGZGCDTXSQXJD-UHFFFAOYSA-N 1 0 319.390 0.187 10 30 DCEERO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000408099849 280134707 /nfs/dbraw/zinc/13/47/07/280134707.db2.gz QEVHCYGKCAMGMW-HOTGVXAUSA-N 1 0 321.469 0.315 10 30 DCEERO C=CCCOCCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570029871 332704163 /nfs/dbraw/zinc/70/41/63/332704163.db2.gz JACSROVOHPYVOL-MRXNPFEDSA-N 1 0 309.410 0.297 10 30 DCEERO C=CCCOCCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570029866 332704165 /nfs/dbraw/zinc/70/41/65/332704165.db2.gz JACSROVOHPYVOL-INIZCTEOSA-N 1 0 309.410 0.297 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](C(=O)OC)C2)CC1 ZINC000330664510 334796969 /nfs/dbraw/zinc/79/69/69/334796969.db2.gz YPZGSGUSOQSRNN-ZDUSSCGKSA-N 1 0 311.382 0.425 10 30 DCEERO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000105797676 335788113 /nfs/dbraw/zinc/78/81/13/335788113.db2.gz WSLPUNFPNJHGAM-OLZOCXBDSA-N 1 0 318.425 0.767 10 30 DCEERO CCC(=O)N1CSC[C@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000329968596 336101035 /nfs/dbraw/zinc/10/10/35/336101035.db2.gz TZNAOAVSGHIZNU-LBPRGKRZSA-N 1 0 315.439 0.977 10 30 DCEERO C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCOC1)N1CCOCC1 ZINC000330342549 336172741 /nfs/dbraw/zinc/17/27/41/336172741.db2.gz BAWZBXLYLKTXCZ-NEPJUHHUSA-N 1 0 308.382 0.939 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000425893465 338018475 /nfs/dbraw/zinc/01/84/75/338018475.db2.gz XJYAGYRTUTUNQB-FQUUOJAGSA-N 1 0 309.410 0.293 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000425911025 338018862 /nfs/dbraw/zinc/01/88/62/338018862.db2.gz ZUJASNQOSVXFMB-MJBXVCDLSA-N 1 0 309.410 0.246 10 30 DCEERO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000178465263 533719987 /nfs/dbraw/zinc/71/99/87/533719987.db2.gz HDIDKSYQXKBWAD-ZDUSSCGKSA-N 1 0 300.362 0.968 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCCc2nnc3n2CCCCC3)CCO1 ZINC000262487663 533788239 /nfs/dbraw/zinc/78/82/39/533788239.db2.gz TUNCPDWRSLGPNX-LBPRGKRZSA-N 1 0 306.414 0.582 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000425878503 534586502 /nfs/dbraw/zinc/58/65/02/534586502.db2.gz HZGGDJVPSBAHDB-JSGCOSHPSA-N 1 0 309.410 0.294 10 30 DCEERO Cc1cccc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1C#N ZINC000157672010 524798005 /nfs/dbraw/zinc/79/80/05/524798005.db2.gz AHWSNHZFDYKVGB-ZDUSSCGKSA-N 1 0 323.418 0.818 10 30 DCEERO CNC(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)=[NH+]C ZINC000262182821 526344197 /nfs/dbraw/zinc/34/41/97/526344197.db2.gz WZHQJDMLFUWSEP-SNVBAGLBSA-N 1 0 316.452 0.554 10 30 DCEERO C[NH+]=C(NCC(=O)N(C)C)NC1CCN(c2ccccn2)CC1 ZINC000262308432 526345748 /nfs/dbraw/zinc/34/57/48/526345748.db2.gz PHKUODRVUPFGEG-UHFFFAOYSA-N 1 0 318.425 0.304 10 30 DCEERO C[NH+]=C(NCCOc1ncccc1F)N[C@@H]1CCC(=O)NC1 ZINC000261869651 526362403 /nfs/dbraw/zinc/36/24/03/526362403.db2.gz SGHFIPZEUJQRGV-SNVBAGLBSA-N 1 0 309.345 0.043 10 30 DCEERO C[NH+]=C(NC[C@H](C)N1CCOCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262393717 526374865 /nfs/dbraw/zinc/37/48/65/526374865.db2.gz JBFBJTKPZOEAEQ-BYNSBNAKSA-N 1 0 324.469 0.686 10 30 DCEERO C[NH+]=C(NCc1c(C)nn(C)c1C)N1CCN(C2CC2)C(=O)C1 ZINC000262786827 526379584 /nfs/dbraw/zinc/37/95/84/526379584.db2.gz MSYYPPWWQPWDAW-UHFFFAOYSA-N 1 0 318.425 0.419 10 30 DCEERO C[NH+]=C(NCc1cccc(OC)n1)N[C@H]1CCN(C2CC2)C1 ZINC000262835461 526383568 /nfs/dbraw/zinc/38/35/68/526383568.db2.gz WEVMXGOJIGTRPY-ZDUSSCGKSA-N 1 0 303.410 0.992 10 30 DCEERO C=CCNC(=[NH2+])NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000263251096 526388517 /nfs/dbraw/zinc/38/85/17/526388517.db2.gz JKWAQMVLGGCGEE-LBPRGKRZSA-N 1 0 314.397 0.431 10 30 DCEERO C[NH+]=C(NCc1nc(C)no1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261863318 526390263 /nfs/dbraw/zinc/39/02/63/526390263.db2.gz ZQQQNMCNDHGIGT-AWEZNQCLSA-N 1 0 306.370 0.056 10 30 DCEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261755559 526394973 /nfs/dbraw/zinc/39/49/73/526394973.db2.gz MJIKHPDNVLNEKE-ISOBSLSZSA-N 1 0 307.398 0.280 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CCC(=O)NC1 ZINC000262384834 526395065 /nfs/dbraw/zinc/39/50/65/526395065.db2.gz LCLDWXATWGDEPO-ZMJPVWNMSA-N 1 0 308.426 0.634 10 30 DCEERO C[NH+]=C(N[C@H]1CC1(C)C)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261948799 526395760 /nfs/dbraw/zinc/39/57/60/526395760.db2.gz GRNHELHRBSRAGZ-ZDUSSCGKSA-N 1 0 309.458 0.456 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CCC(=O)NC1 ZINC000261844650 526396202 /nfs/dbraw/zinc/39/62/02/526396202.db2.gz WRVBRURWKWXCTC-OSRDXIQISA-N 1 0 320.437 0.778 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CCO[C@]3(CCOC3)C2)CC1 ZINC000184459314 526429218 /nfs/dbraw/zinc/42/92/18/526429218.db2.gz IGJJLACDRHUIOD-MRXNPFEDSA-N 1 0 309.410 0.838 10 30 DCEERO C=CCNC(=O)CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000180243838 526558251 /nfs/dbraw/zinc/55/82/51/526558251.db2.gz CDQRZTPOFNXPFY-OAHLLOKOSA-N 1 0 318.421 0.761 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000366140358 526587894 /nfs/dbraw/zinc/58/78/94/526587894.db2.gz LAZAAAPHBODYSJ-KRWDZBQOSA-N 1 0 320.437 0.949 10 30 DCEERO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000376657896 526674345 /nfs/dbraw/zinc/67/43/45/526674345.db2.gz WOZACJLLACOVSM-QGZVFWFLSA-N 1 0 317.433 0.172 10 30 DCEERO C=CCOCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000374822011 526773938 /nfs/dbraw/zinc/77/39/38/526773938.db2.gz DIGMMUWWWLPJEM-UHFFFAOYSA-N 1 0 311.426 0.943 10 30 DCEERO CCN(C)CCNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261956608 527792718 /nfs/dbraw/zinc/79/27/18/527792718.db2.gz IXGHJXZHKCLENT-UHFFFAOYSA-N 1 0 304.460 0.023 10 30 DCEERO CC[NH+]=C(NCC1(O)CCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261672507 528803846 /nfs/dbraw/zinc/80/38/46/528803846.db2.gz CEQFTRINARBBIL-OAHLLOKOSA-N 1 0 308.426 0.469 10 30 DCEERO CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000262777938 528804110 /nfs/dbraw/zinc/80/41/10/528804110.db2.gz KBSDLEUMUPCOQP-GFCCVEGCSA-N 1 0 320.441 0.625 10 30 DCEERO CC1(C)CC[C@@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)O1 ZINC000262403283 529019459 /nfs/dbraw/zinc/01/94/59/529019459.db2.gz AFIXKAGYFKFSPA-ZDUSSCGKSA-N 1 0 318.425 0.871 10 30 DCEERO C=CCCn1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)nn1 ZINC000615275075 546316776 /nfs/dbraw/zinc/31/67/76/546316776.db2.gz LEHWUJWLVBEOJT-HUUCEWRRSA-N 1 0 319.409 0.789 10 30 DCEERO CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000709407637 939714104 /nfs/dbraw/zinc/71/41/04/939714104.db2.gz UMZGIKKEZXFQRX-NWDGAFQWSA-N 1 0 301.412 0.433 10 30 DCEERO CN1CC[NH+]=C1NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000262668409 529778941 /nfs/dbraw/zinc/77/89/41/529778941.db2.gz PVRVOVKSPPBDKX-GFCCVEGCSA-N 1 0 314.397 0.232 10 30 DCEERO C[NH+]=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC1CC1 ZINC000261780383 530039516 /nfs/dbraw/zinc/03/95/16/530039516.db2.gz PEYQPOJYQXYTAA-UHFFFAOYSA-N 1 0 307.442 0.258 10 30 DCEERO O=[N+]([O-])c1cccc(/C=N/CC[NH2+][C@H]2CCS(=O)(=O)C2)c1 ZINC000005893504 181293498 /nfs/dbraw/zinc/29/34/98/181293498.db2.gz JPBJMJSIOYEQPR-IGVUGNCQSA-N 1 0 311.363 0.790 10 30 DCEERO [NH2+]=C(NCCN1C(=O)NC2(CCCC2)C1=O)NCC1CCC1 ZINC000262560895 238176855 /nfs/dbraw/zinc/17/68/55/238176855.db2.gz WGWLMBOVLJYFPE-UHFFFAOYSA-N 1 0 307.398 0.555 10 30 DCEERO [NH2+]=C(NCc1ccnc(-n2cccn2)c1)NC[C@@H]1CCCO1 ZINC000261721940 238165016 /nfs/dbraw/zinc/16/50/16/238165016.db2.gz FXRAPEWNGPCUJQ-ZDUSSCGKSA-N 1 0 300.366 0.851 10 30 DCEERO CS[C@H]1CN(S(=O)(=O)CCC#N)C[C@H]1[NH+]1CCCC1 ZINC000408461296 239270005 /nfs/dbraw/zinc/27/00/05/239270005.db2.gz UVJGJEGCKYZSLM-NEPJUHHUSA-N 1 0 303.453 0.741 10 30 DCEERO COCCC[N@H+](C)CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369792700 533280873 /nfs/dbraw/zinc/28/08/73/533280873.db2.gz VSIPTHWYJOHKNR-HNNXBMFYSA-N 1 0 323.441 0.336 10 30 DCEERO CS(=O)(=O)N1CCCC[C@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000262678293 533383575 /nfs/dbraw/zinc/38/35/75/533383575.db2.gz UUYPWLBWMKYLHB-NSHDSACASA-N 1 0 311.411 0.622 10 30 DCEERO C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CCn3ncc(C(N)=O)c3C2)C1 ZINC000261896778 533634973 /nfs/dbraw/zinc/63/49/73/533634973.db2.gz DBLVBIMEQVLWCE-VXGBXAGGSA-N 1 0 318.425 0.591 10 30 DCEERO C[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3sccc3C#N)[C@H]2C1 ZINC000285004361 131130290 /nfs/dbraw/zinc/13/02/90/131130290.db2.gz YRTWVKQBNKHYEW-QWHCGFSZSA-N 1 0 320.418 0.963 10 30 DCEERO C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)CCS1(=O)=O ZINC000330275641 296497228 /nfs/dbraw/zinc/49/72/28/296497228.db2.gz LUDGQDALYIOWGZ-JHJVBQTASA-N 1 0 317.455 0.892 10 30 DCEERO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](O)C[C@@H]2CO)cc1Cl ZINC000184719019 396302596 /nfs/dbraw/zinc/30/25/96/396302596.db2.gz ZCRZEBZTCQPGBI-CHWSQXEVSA-N 1 0 323.780 0.968 10 30 DCEERO C[N@H+](CCNC(=O)C(=O)NCc1ccc(C#N)cc1F)C1CC1 ZINC000585779797 396653297 /nfs/dbraw/zinc/65/32/97/396653297.db2.gz XIFLTBIYEPDBDD-UHFFFAOYSA-N 1 0 318.352 0.524 10 30 DCEERO C[C@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)n1cnc(C#N)n1 ZINC000619613900 397159407 /nfs/dbraw/zinc/15/94/07/397159407.db2.gz UNZMARXAUSTTDK-ZWNOBZJWSA-N 1 0 308.411 0.264 10 30 DCEERO C[C@@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)n1cnc(C#N)n1 ZINC000619614964 397159782 /nfs/dbraw/zinc/15/97/82/397159782.db2.gz RHAKSXOIBQMLJP-LBPRGKRZSA-N 1 0 302.382 0.798 10 30 DCEERO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)n1cnc(C#N)n1 ZINC000619613567 397159818 /nfs/dbraw/zinc/15/98/18/397159818.db2.gz RPKGJLBSGRFTGP-CHWSQXEVSA-N 1 0 302.382 0.655 10 30 DCEERO C=C[C@H](C(=O)OC)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000619719880 397184554 /nfs/dbraw/zinc/18/45/54/397184554.db2.gz JWLAGKGLQVLSAA-VFSICIBPSA-N 1 0 307.438 0.957 10 30 DCEERO CNC(=O)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000131492017 158303446 /nfs/dbraw/zinc/30/34/46/158303446.db2.gz PGSVUAWKBRLWND-UHFFFAOYSA-N 1 0 302.378 0.585 10 30 DCEERO C[C@@H](C[NH3+])NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000262481402 158817880 /nfs/dbraw/zinc/81/78/80/158817880.db2.gz SASRIQIDOYCXAV-ZETCQYMHSA-N 1 0 318.196 0.946 10 30 DCEERO C[N+](C)=C1S[C@@H]2CS(=O)(=O)C[C@]2(Br)S1 ZINC000032105089 415185874 /nfs/dbraw/zinc/18/58/74/415185874.db2.gz FTZNZOHSKMPERR-VDTYLAMSSA-N 1 0 317.275 0.983 10 30 DCEERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000118856372 415734212 /nfs/dbraw/zinc/73/42/12/415734212.db2.gz USVKQAWRXDOZMC-ZBFHGGJFSA-N 1 0 310.442 0.429 10 30 DCEERO C#CCNC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114580930 415720743 /nfs/dbraw/zinc/72/07/43/415720743.db2.gz OAADJXKXWXDRJN-UHFFFAOYSA-N 1 0 301.394 0.608 10 30 DCEERO Cn1cc([C@@H]2CCN(CC(=O)N(CCC#N)CCC#N)C2)cn1 ZINC000116322475 415728002 /nfs/dbraw/zinc/72/80/02/415728002.db2.gz HIQBZHOPXQTLMY-CQSZACIVSA-N 1 0 314.393 0.865 10 30 DCEERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CCO1 ZINC000116783257 415729286 /nfs/dbraw/zinc/72/92/86/415729286.db2.gz MRPXVASVOMLEHN-MRXNPFEDSA-N 1 0 317.389 0.920 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000355466232 415861322 /nfs/dbraw/zinc/86/13/22/415861322.db2.gz DBCCSGGARJSXJC-CQSZACIVSA-N 1 0 324.469 0.600 10 30 DCEERO Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H]2CN(C)CCO2)no1 ZINC000329369212 416167562 /nfs/dbraw/zinc/16/75/62/416167562.db2.gz JJXGVDAEUYFDGD-NEPJUHHUSA-N 1 0 309.370 0.760 10 30 DCEERO C[C@H](O)CN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000329563093 416177079 /nfs/dbraw/zinc/17/70/79/416177079.db2.gz RXHZHJMZAGVAHO-HNSVSWJLSA-N 1 0 324.469 0.914 10 30 DCEERO Cc1c(C#N)cccc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000179925545 416194443 /nfs/dbraw/zinc/19/44/43/416194443.db2.gz ZUJWMIMJDGYURF-CQSZACIVSA-N 1 0 318.377 0.681 10 30 DCEERO C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000341550671 416212692 /nfs/dbraw/zinc/21/26/92/416212692.db2.gz UBXWCDWVPIXCNZ-CQSZACIVSA-N 1 0 311.426 0.638 10 30 DCEERO CN1C(=O)C[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000192154685 416299599 /nfs/dbraw/zinc/29/95/99/416299599.db2.gz JTKLQXSVZFDMPO-IUODEOHRSA-N 1 0 320.780 0.841 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000424536838 416661875 /nfs/dbraw/zinc/66/18/75/416661875.db2.gz BPNWIUBDFQNHGK-KHMAMNHCSA-N 1 0 321.421 0.198 10 30 DCEERO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368819738 416695153 /nfs/dbraw/zinc/69/51/53/416695153.db2.gz XKQIHBNLAHCIFU-OAHLLOKOSA-N 1 0 314.389 0.903 10 30 DCEERO CC(C)N(CCC#N)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000615099503 416759798 /nfs/dbraw/zinc/75/97/98/416759798.db2.gz NVZDTDBTULAWGF-UHFFFAOYSA-N 1 0 320.397 0.534 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](CC(N)=O)C2)CC1 ZINC000623579086 416845081 /nfs/dbraw/zinc/84/50/81/416845081.db2.gz MPGQKEOUBXQEIS-CQSZACIVSA-N 1 0 324.425 0.313 10 30 DCEERO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)CCCCC#N)[C@@H]2C1 ZINC000408028281 417133557 /nfs/dbraw/zinc/13/35/57/417133557.db2.gz PFQVTYPBIPDVPP-CHWSQXEVSA-N 1 0 301.412 0.415 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621847663 417321494 /nfs/dbraw/zinc/32/14/94/417321494.db2.gz HPMSIFSZZQCZDR-RSUWNVLCSA-N 1 0 307.394 0.034 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627290236 417332558 /nfs/dbraw/zinc/33/25/58/417332558.db2.gz IVQQCPOWHCQTIU-DGAVXFQQSA-N 1 0 309.410 0.341 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627290235 417334165 /nfs/dbraw/zinc/33/41/65/417334165.db2.gz IVQQCPOWHCQTIU-CRWXNKLISA-N 1 0 309.410 0.341 10 30 DCEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCOCC[NH2+]C ZINC000627460983 417424058 /nfs/dbraw/zinc/42/40/58/417424058.db2.gz BCTNCOXFPNUEGS-ZIAGYGMSSA-N 1 0 311.426 0.590 10 30 DCEERO CC[N@H+](CCO)CCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000183935424 261117434 /nfs/dbraw/zinc/11/74/34/261117434.db2.gz IWACWGHSLSGDOB-ZDUSSCGKSA-N 1 0 305.378 0.756 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262493647 275802657 /nfs/dbraw/zinc/80/26/57/275802657.db2.gz VRPSCMWXIOYQEL-CABCVRRESA-N 1 0 310.442 0.537 10 30 DCEERO CC[NH+]=C(NCc1c[nH]nc1C)N1CC[C@H](N2CCOCC2)C1 ZINC000262475684 276095996 /nfs/dbraw/zinc/09/59/96/276095996.db2.gz QBOJPRZTNFTEOJ-HNNXBMFYSA-N 1 0 320.441 0.590 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263283173 276898227 /nfs/dbraw/zinc/89/82/27/276898227.db2.gz UOPHAMCUOBUYIA-RHSMWYFYSA-N 1 0 322.453 0.340 10 30 DCEERO CO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)[C@@H](C[NH3+])C1 ZINC000262415527 277657863 /nfs/dbraw/zinc/65/78/63/277657863.db2.gz DMXZURRQSFWTPH-ZIAGYGMSSA-N 1 0 323.418 0.994 10 30 DCEERO C[NH+]=C(NCC1(O)CCCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261675897 277749605 /nfs/dbraw/zinc/74/96/05/277749605.db2.gz CNVJNRJDPQNFDM-OAHLLOKOSA-N 1 0 308.426 0.469 10 30 DCEERO CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CCc2ncnn2C1 ZINC000151021010 278168629 /nfs/dbraw/zinc/16/86/29/278168629.db2.gz OGKDZTIJGRPRRA-SMDDNHRTSA-N 1 0 324.454 0.016 10 30 DCEERO CC[NH+]=C(NCCC(=O)OC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261937806 280837400 /nfs/dbraw/zinc/83/74/00/280837400.db2.gz CWUQQQSNUSTQCQ-UHFFFAOYSA-N 1 0 319.427 0.024 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000372587726 289238483 /nfs/dbraw/zinc/23/84/83/289238483.db2.gz RJZUMDSNXGXCQC-JHJVBQTASA-N 1 0 300.428 0.491 10 30 DCEERO C[C@@H](CC(=O)NCCN1CC[NH+](C)CC1)N1CCCCC1=O ZINC000330073651 336111423 /nfs/dbraw/zinc/11/14/23/336111423.db2.gz FEUJTKUUPRPDQH-AWEZNQCLSA-N 1 0 310.442 0.981 10 30 DCEERO CO[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1OC ZINC000330169722 336120392 /nfs/dbraw/zinc/12/03/92/336120392.db2.gz DIWREGGNGCADQL-YRGRVCCFSA-N 1 0 317.455 0.683 10 30 DCEERO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000330226273 336126607 /nfs/dbraw/zinc/12/66/07/336126607.db2.gz UJSXUIFMYYWBPD-OUCADQQQSA-N 1 0 315.439 0.361 10 30 DCEERO C[C@](C#N)(NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)C1CC1 ZINC000332760250 337396273 /nfs/dbraw/zinc/39/62/73/337396273.db2.gz YZQNUNXHLLSPKA-VBNZEHGJSA-N 1 0 304.394 0.442 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000424541003 337855911 /nfs/dbraw/zinc/85/59/11/337855911.db2.gz GTEBNUSYTSVUID-RFGFWPKPSA-N 1 0 309.410 0.422 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000425869243 338018050 /nfs/dbraw/zinc/01/80/50/338018050.db2.gz JUHHGNYPEUSIRN-ILXRZTDVSA-N 1 0 323.437 0.542 10 30 DCEERO CC[C@H]1CN(CCC(=O)N(C)CCC#N)CC[N@@H+]1C[C@@H](C)O ZINC000131506681 341092567 /nfs/dbraw/zinc/09/25/67/341092567.db2.gz JELSRGFCDGDOAS-CABCVRRESA-N 1 0 310.442 0.526 10 30 DCEERO C=CCN1C(=O)c2ccc(C(=O)N3CC([NH+](C)C)C3)cc2C1=O ZINC000134946334 341227020 /nfs/dbraw/zinc/22/70/20/341227020.db2.gz SRJNHDISRHWKRW-UHFFFAOYSA-N 1 0 313.357 0.855 10 30 DCEERO N#CCSCCC[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000173884327 534707139 /nfs/dbraw/zinc/70/71/39/534707139.db2.gz HXFUAVMEPQBLFG-UHFFFAOYSA-N 1 0 317.422 0.893 10 30 DCEERO C[NH+]=C(NCCS(C)(=O)=O)N(C)Cc1csc(C)n1 ZINC000261823583 526363841 /nfs/dbraw/zinc/36/38/41/526363841.db2.gz UQQBWMPXNYKQAD-UHFFFAOYSA-N 1 0 304.441 0.503 10 30 DCEERO C[NH+]=C(NCCc1nccs1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261790609 526366900 /nfs/dbraw/zinc/36/69/00/526366900.db2.gz QHJJTEDCZKUATF-OAHLLOKOSA-N 1 0 321.450 0.863 10 30 DCEERO C[NH+]=C(NCCn1ccnc1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261703246 526367307 /nfs/dbraw/zinc/36/73/07/526367307.db2.gz GKCFFLBAFULZGS-HNNXBMFYSA-N 1 0 304.398 0.061 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000262814728 526370259 /nfs/dbraw/zinc/37/02/59/526370259.db2.gz WKWIXBFGMJPNFR-JYJNAYRXSA-N 1 0 324.469 0.377 10 30 DCEERO C[NH+]=C(NCc1nc(C)no1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261863320 526390096 /nfs/dbraw/zinc/39/00/96/526390096.db2.gz ZQQQNMCNDHGIGT-CQSZACIVSA-N 1 0 306.370 0.056 10 30 DCEERO C=CCN1C(=O)c2ccc(C(=O)N(C)CC[NH2+]C)cc2C1=O ZINC000263271368 526407793 /nfs/dbraw/zinc/40/77/93/526407793.db2.gz WYWWQVCQNIZGGT-UHFFFAOYSA-N 1 0 301.346 0.760 10 30 DCEERO C[NH+]=C(NCCC(=O)OC(C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261858501 526413183 /nfs/dbraw/zinc/41/31/83/526413183.db2.gz ZAIRMSACGJMVPD-INIZCTEOSA-N 1 0 324.425 0.506 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000343760738 526417794 /nfs/dbraw/zinc/41/77/94/526417794.db2.gz FIFHEZGIVOXHIS-BFHYXJOUSA-N 1 0 323.437 0.777 10 30 DCEERO C=CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000262374122 526847816 /nfs/dbraw/zinc/84/78/16/526847816.db2.gz WMIPETUPBYLXMV-STQMWFEESA-N 1 0 306.362 0.570 10 30 DCEERO C=CC[C@H](CO)NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000183812903 527197777 /nfs/dbraw/zinc/19/77/77/527197777.db2.gz WDQDZJPAQNSEBZ-CQSZACIVSA-N 1 0 322.409 0.758 10 30 DCEERO CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCC(=O)N(C)C1 ZINC000262281335 657466406 /nfs/dbraw/zinc/46/64/06/657466406.db2.gz JCWCNVJUZSOADE-RYUDHWBXSA-N 1 0 311.430 0.029 10 30 DCEERO C[NH+]=C(NCC1(O)CCCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000262756920 662568074 /nfs/dbraw/zinc/56/80/74/662568074.db2.gz BXMWXFRRTCONGB-UHFFFAOYSA-N 1 0 308.426 0.564 10 30 DCEERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000732155015 664905971 /nfs/dbraw/zinc/90/59/71/664905971.db2.gz XCIFKKYYRIYGOT-HRZQKCLFSA-N 1 0 320.393 0.503 10 30 DCEERO C[NH+]=C(NCCNS(=O)(=O)c1ccccc1)N[C@@H]1C[C@H]1C ZINC000083902188 667307810 /nfs/dbraw/zinc/30/78/10/667307810.db2.gz YLCFGWSOWCQMQP-DGCLKSJQSA-N 1 0 310.423 0.538 10 30 DCEERO C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000303708255 685206494 /nfs/dbraw/zinc/20/64/94/685206494.db2.gz MZFIPFCZHGUKAJ-LLVKDONJSA-N 1 0 310.423 0.881 10 30 DCEERO CCS(=O)(=O)NCCCNC(=[NH2+])NCCc1cccs1 ZINC000303975144 685209810 /nfs/dbraw/zinc/20/98/10/685209810.db2.gz IPQLVFCEXJYURR-UHFFFAOYSA-N 1 0 318.468 0.524 10 30 DCEERO COc1ccccc1CNC(=O)[C@@H](C)[N+]12CCN(CC1)CC2 ZINC000015454163 717111664 /nfs/dbraw/zinc/11/16/64/717111664.db2.gz FVZQWDXNWMSMBA-CQSZACIVSA-O 1 0 304.414 0.846 10 30 DCEERO COc1cc2c(cc1OC)CN(CCNC1=[NH+]C[C@H](C)N1)CC2 ZINC000262200854 533170373 /nfs/dbraw/zinc/17/03/73/533170373.db2.gz ASGRNAAVTCECQM-LBPRGKRZSA-N 1 0 318.421 0.999 10 30 DCEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000246791083 395957659 /nfs/dbraw/zinc/95/76/59/395957659.db2.gz ALJGEECQSXHHDV-SMDDNHRTSA-N 1 0 308.407 0.960 10 30 DCEERO C[NH+](C)[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000163129308 396086090 /nfs/dbraw/zinc/08/60/90/396086090.db2.gz YRSXIEMGPBKRTP-CQSZACIVSA-N 1 0 307.419 0.968 10 30 DCEERO C=CC[C@@]1(C(=O)N2CCN([C@H](C)CC(=O)OC)CC2)CCC[NH2+]1 ZINC000595956539 396695546 /nfs/dbraw/zinc/69/55/46/396695546.db2.gz RFSYZXCXUIQUGI-PBHICJAKSA-N 1 0 323.437 0.781 10 30 DCEERO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000611194947 396832309 /nfs/dbraw/zinc/83/23/09/396832309.db2.gz RTHJWHXKDVWTJS-UONOGXRCSA-N 1 0 318.377 0.235 10 30 DCEERO C=C(C)C[C@H](NS(=O)(=O)N(C)C1CC[NH2+]CC1)C(=O)OC ZINC000601348203 397072629 /nfs/dbraw/zinc/07/26/29/397072629.db2.gz UKLNOVQEEXCAPN-LBPRGKRZSA-N 1 0 319.427 0.012 10 30 DCEERO C=C(C)C[C@H](NS(=O)(=O)CC[NH+](CC)CC)C(=O)OC ZINC000601501538 397154436 /nfs/dbraw/zinc/15/44/36/397154436.db2.gz CIPHGEIIMFQMFY-LBPRGKRZSA-N 1 0 306.428 0.755 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000613035212 397181179 /nfs/dbraw/zinc/18/11/79/397181179.db2.gz NJSNUDYNIQUBGV-OAHLLOKOSA-N 1 0 311.426 0.372 10 30 DCEERO C=CCOCCNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626811796 397246734 /nfs/dbraw/zinc/24/67/34/397246734.db2.gz JDZSELQGGSXEIK-UHFFFAOYSA-N 1 0 319.361 0.426 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C ZINC000614191669 397395838 /nfs/dbraw/zinc/39/58/38/397395838.db2.gz CDBUVNHMEOIIGS-WCQYABFASA-N 1 0 322.409 0.235 10 30 DCEERO C=CCNC(=O)C[N@H+]1CC[C@@](COC)(C(=O)OC(C)(C)C)C1 ZINC000602960862 397534196 /nfs/dbraw/zinc/53/41/96/397534196.db2.gz JGNPWCFHPCRQOD-MRXNPFEDSA-N 1 0 312.410 0.969 10 30 DCEERO N#Cc1ccc2ncc(C[NH2+]CC(=O)NCC(F)(F)F)n2c1 ZINC000123357566 158229432 /nfs/dbraw/zinc/22/94/32/158229432.db2.gz QZIYYTYDMWMIBD-UHFFFAOYSA-N 1 0 311.267 0.974 10 30 DCEERO C=CCNC(=O)[C@H](C)N1CCCN(Cc2noc(C)n2)CC1 ZINC000105866796 415639071 /nfs/dbraw/zinc/63/90/71/415639071.db2.gz LSCHOHPDWSTKEA-LBPRGKRZSA-N 1 0 307.398 0.576 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000343761248 415713676 /nfs/dbraw/zinc/71/36/76/415713676.db2.gz GKPSNILYPRFPJG-GASCZTMLSA-N 1 0 321.421 0.533 10 30 DCEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNC(=O)C[NH3+] ZINC000124719246 415853645 /nfs/dbraw/zinc/85/36/45/415853645.db2.gz INNAOVCRNLRGTQ-UHFFFAOYSA-N 1 0 306.322 0.184 10 30 DCEERO CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CCNC1=O ZINC000328888113 416137034 /nfs/dbraw/zinc/13/70/34/416137034.db2.gz PIRZATADZGETLS-GXFFZTMASA-N 1 0 300.428 0.998 10 30 DCEERO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329394449 416166517 /nfs/dbraw/zinc/16/65/17/416166517.db2.gz VGFYPTUYUNTVQX-RWMBFGLXSA-N 1 0 308.386 0.016 10 30 DCEERO [NH2+]=C(NCC(=O)N[C@@H]1CCOc2ccccc21)N1CCOCC1 ZINC000261613814 416335480 /nfs/dbraw/zinc/33/54/80/416335480.db2.gz CMRDPIOSLFONMR-CYBMUJFWSA-N 1 0 318.377 0.273 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000424536229 416662157 /nfs/dbraw/zinc/66/21/57/416662157.db2.gz BEXXBJJHQMBHKB-IHRRRGAJSA-N 1 0 309.410 0.281 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000424553187 416663185 /nfs/dbraw/zinc/66/31/85/416663185.db2.gz ZELBNEGLUPOQDU-RQJABVFESA-N 1 0 309.410 0.327 10 30 DCEERO C=CC[C@H](CC)NC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000568773346 417175922 /nfs/dbraw/zinc/17/59/22/417175922.db2.gz SZADCQCZSBMFRD-ZDUSSCGKSA-N 1 0 311.426 0.684 10 30 DCEERO C=CC[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000627733669 417493622 /nfs/dbraw/zinc/49/36/22/417493622.db2.gz ZYZLLLZEZPIMGX-ZDUSSCGKSA-N 1 0 319.409 0.808 10 30 DCEERO C[C@H](CNC(=O)Cc1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000531147215 417610291 /nfs/dbraw/zinc/61/02/91/417610291.db2.gz SQTKMZPSUHMQAF-CQSZACIVSA-N 1 0 300.406 0.853 10 30 DCEERO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246471878 276352016 /nfs/dbraw/zinc/35/20/16/276352016.db2.gz ODONNOHPMVRBEP-BZUAXINKSA-N 1 0 322.453 0.647 10 30 DCEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])N2CCO[C@H](C)C2)C12CCOCC2 ZINC000262483823 276471753 /nfs/dbraw/zinc/47/17/53/276471753.db2.gz SCVMKRCZUQNPOJ-MGPQQGTHSA-N 1 0 311.426 0.996 10 30 DCEERO CN1CCO[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262011816 277127745 /nfs/dbraw/zinc/12/77/45/277127745.db2.gz UJDCNSDKDGXFSY-CYBMUJFWSA-N 1 0 320.393 0.905 10 30 DCEERO CC[NH+]=C(NCCC(=O)OC)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261766033 278169574 /nfs/dbraw/zinc/16/95/74/278169574.db2.gz NLPXGCWSGFXKQK-HNNXBMFYSA-N 1 0 310.398 0.117 10 30 DCEERO C[C@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)n1cnc(C#N)n1 ZINC000560760439 288518641 /nfs/dbraw/zinc/51/86/41/288518641.db2.gz OPCQXRUOPQZSOY-UPJWGTAASA-N 1 0 302.382 0.796 10 30 DCEERO C[NH+](C)CCN1C[C@H](C(=O)NCC2CCC(C#N)CC2)CC1=O ZINC000442973174 338440669 /nfs/dbraw/zinc/44/06/69/338440669.db2.gz NCLFMYFGIFXKIN-YMAMQOFZSA-N 1 0 320.437 0.843 10 30 DCEERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C(C)(C)C#N)CC2)C1 ZINC000105818410 337386818 /nfs/dbraw/zinc/38/68/18/337386818.db2.gz RGRVBKXWVHBONR-OAHLLOKOSA-N 1 0 322.453 0.790 10 30 DCEERO [NH2+]=C(NCC(=O)N[C@H]1CCOc2ccccc21)N1CCOCC1 ZINC000261613815 337607987 /nfs/dbraw/zinc/60/79/87/337607987.db2.gz CMRDPIOSLFONMR-ZDUSSCGKSA-N 1 0 318.377 0.273 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000424544441 337857479 /nfs/dbraw/zinc/85/74/79/337857479.db2.gz KWHYPNREISCILN-UBHSHLNASA-N 1 0 309.410 0.280 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000425869195 338018011 /nfs/dbraw/zinc/01/80/11/338018011.db2.gz JKZDBLCPRBBTLF-AJNGGQMLSA-N 1 0 321.421 0.437 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000425869199 338018025 /nfs/dbraw/zinc/01/80/25/338018025.db2.gz JKZDBLCPRBBTLF-YJNKXOJESA-N 1 0 321.421 0.437 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000425882777 338018149 /nfs/dbraw/zinc/01/81/49/338018149.db2.gz MILBGLBKBHHOCH-RDBSUJKOSA-N 1 0 311.426 0.540 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000425910245 338018825 /nfs/dbraw/zinc/01/88/25/338018825.db2.gz UQTPLOYSFKJKON-SNPRPXQTSA-N 1 0 321.421 0.460 10 30 DCEERO CC[C@H]1CN(CCC(=O)N(C)CCC#N)CC[N@@H+]1C[C@H](C)O ZINC000245676809 341308985 /nfs/dbraw/zinc/30/89/85/341308985.db2.gz JELSRGFCDGDOAS-GJZGRUSLSA-N 1 0 310.442 0.526 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCCc2cnc3c(Cl)cnn3c2)CCO1 ZINC000263206183 533788316 /nfs/dbraw/zinc/78/83/16/533788316.db2.gz YHISURRAVMFNJB-JTQLQIEISA-N 1 0 322.800 0.961 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCc2ncnn2-c2ccccc2)CCO1 ZINC000262485750 534271739 /nfs/dbraw/zinc/27/17/39/534271739.db2.gz SMUKTDGPWZZTFO-GFCCVEGCSA-N 1 0 300.366 0.803 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCCOc2ccc3c(c2)OCO3)CCO1 ZINC000262500348 534271273 /nfs/dbraw/zinc/27/12/73/534271273.db2.gz YAGFGRCOXXHSIR-LLVKDONJSA-N 1 0 307.350 0.830 10 30 DCEERO CN1CCO[C@@H](C[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000176788657 523940694 /nfs/dbraw/zinc/94/06/94/523940694.db2.gz KLIMUCYGNVPTJA-QWHCGFSZSA-N 1 0 320.418 0.645 10 30 DCEERO C[NH+]=C(NCC(=O)N1CCCC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000175578530 526346100 /nfs/dbraw/zinc/34/61/00/526346100.db2.gz VXAPACOOAIISKB-ZDUSSCGKSA-N 1 0 318.425 0.407 10 30 DCEERO C[NH+]=C(NCC1(CCO)CCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000262809167 526350570 /nfs/dbraw/zinc/35/05/70/526350570.db2.gz SYYNKWLJOGJMCE-CYBMUJFWSA-N 1 0 320.441 0.701 10 30 DCEERO C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N(C)Cc1ccon1 ZINC000261804023 526377196 /nfs/dbraw/zinc/37/71/96/526377196.db2.gz RTOWHIIIPUYVCF-GFCCVEGCSA-N 1 0 317.397 0.844 10 30 DCEERO C[NH+]=C(NCc1c(C)noc1C)NC[C@@](C)(O)c1cnn(C)c1 ZINC000262325638 526379390 /nfs/dbraw/zinc/37/93/90/526379390.db2.gz DJTCWXKCSACRPX-OAHLLOKOSA-N 1 0 320.397 0.598 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)NCCc2nnc3n2CCC3)CC1 ZINC000357947207 526434519 /nfs/dbraw/zinc/43/45/19/526434519.db2.gz ZAWLTRCIBQRACP-UHFFFAOYSA-N 1 0 318.425 0.716 10 30 DCEERO C=CCNC(=O)NC(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261678690 526586137 /nfs/dbraw/zinc/58/61/37/526586137.db2.gz CUQFFPIMISWYID-UHFFFAOYSA-N 1 0 304.394 0.502 10 30 DCEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174876839 526632225 /nfs/dbraw/zinc/63/22/25/526632225.db2.gz IARADPIFXHUMRB-HOTGVXAUSA-N 1 0 308.470 0.779 10 30 DCEERO C#CCC(CC#C)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000376732693 526671951 /nfs/dbraw/zinc/67/19/51/526671951.db2.gz FFLWQBJDBPEEGN-QGZVFWFLSA-N 1 0 301.434 0.888 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000284316336 527177516 /nfs/dbraw/zinc/17/75/16/527177516.db2.gz ZLRCPTYLRMUECG-OAHLLOKOSA-N 1 0 313.467 0.965 10 30 DCEERO C=CCc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc(OC)c1OC ZINC000262296841 527233663 /nfs/dbraw/zinc/23/36/63/527233663.db2.gz PEWWNGLBJIZXLO-KBPBESRZSA-N 1 0 320.389 0.742 10 30 DCEERO C=CCC[C@@H](O)C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377766046 527455111 /nfs/dbraw/zinc/45/51/11/527455111.db2.gz KCUUYGPTODZLGZ-CYBMUJFWSA-N 1 0 305.444 0.128 10 30 DCEERO CCN(C[C@H](C)C#N)C(=O)CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247212991 528693160 /nfs/dbraw/zinc/69/31/60/528693160.db2.gz PYTMOEJSFHEKRK-KFWWJZLASA-N 1 0 310.442 0.381 10 30 DCEERO CC[NH+]=C(NCC1(O)CCC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261808801 528803457 /nfs/dbraw/zinc/80/34/57/528803457.db2.gz SGIPPNIGFAQJCM-CQSZACIVSA-N 1 0 321.425 0.674 10 30 DCEERO CC[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@@H]1CCC(=O)NC1 ZINC000262817408 528814722 /nfs/dbraw/zinc/81/47/22/528814722.db2.gz XAVIHVUXRSIRSA-KGLIPLIRSA-N 1 0 310.442 0.761 10 30 DCEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cc1nc2ncccn2n1 ZINC000178456112 660459569 /nfs/dbraw/zinc/45/95/69/660459569.db2.gz ZCFFYOZFBYDBDS-CYBMUJFWSA-N 1 0 315.377 0.944 10 30 DCEERO C[NH+]=C(NCCN1CCOCC1)NCc1nccn1CC(C)C ZINC000178217573 659766268 /nfs/dbraw/zinc/76/62/68/659766268.db2.gz BQONFLRFTRFWKA-UHFFFAOYSA-N 1 0 322.457 0.536 10 30 DCEERO C#CCNC(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000016396561 661742399 /nfs/dbraw/zinc/74/23/99/661742399.db2.gz ZLWGLJJADRSFGP-UHFFFAOYSA-N 1 0 313.401 0.764 10 30 DCEERO COCCNC(=[NH2+])NCc1ccc(CN2CCOCC2)cc1 ZINC000303266569 662445924 /nfs/dbraw/zinc/44/59/24/662445924.db2.gz WAVJMYJFFIDOHW-UHFFFAOYSA-N 1 0 306.410 0.570 10 30 DCEERO Cc1noc([C@]2(O)CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000764038125 668431811 /nfs/dbraw/zinc/43/18/11/668431811.db2.gz NASJRLZULGNXFO-ZBFHGGJFSA-N 1 0 314.345 0.877 10 30 DCEERO C=C(Br)CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117039765 671153210 /nfs/dbraw/zinc/15/32/10/671153210.db2.gz PRBOGECAWVSAQH-JTQLQIEISA-N 1 0 306.204 0.867 10 30 DCEERO C=CCCOCC[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000120796845 1176941439 /nfs/dbraw/zinc/94/14/39/1176941439.db2.gz AXJWZNCDJDXINF-UHFFFAOYSA-N 1 0 305.426 0.911 10 30 DCEERO Cc1ccc(NC(=O)C[N+]23CCN(CC2)CC3)c([N+](=O)[O-])c1 ZINC000021958096 717113023 /nfs/dbraw/zinc/11/30/23/717113023.db2.gz FHUPQPXDLYJBFK-UHFFFAOYSA-O 1 0 305.358 0.988 10 30 DCEERO C#CC[N@@H+](C)CCCNS(=O)(=O)c1csnc1OC ZINC000714355856 941470070 /nfs/dbraw/zinc/47/00/70/941470070.db2.gz ZXDHJJIWKKASBF-UHFFFAOYSA-N 1 0 303.409 0.385 10 30 DCEERO CC[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247003150 529386415 /nfs/dbraw/zinc/38/64/15/529386415.db2.gz BQQZBJVBICIIFG-UXLLHSPISA-N 1 0 324.469 0.818 10 30 DCEERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329074312 282188074 /nfs/dbraw/zinc/18/80/74/282188074.db2.gz PEHPZDIHJJXZLQ-YIYPIFLZSA-N 1 0 322.413 0.594 10 30 DCEERO N#Cc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1O ZINC000188803920 237379950 /nfs/dbraw/zinc/37/99/50/237379950.db2.gz NXUZCWGQVYMYDO-AWEZNQCLSA-N 1 0 303.362 0.840 10 30 DCEERO [NH2+]=C(NCc1cccnc1-n1ccnc1)NC[C@H]1CCCO1 ZINC000261915368 238168098 /nfs/dbraw/zinc/16/80/98/238168098.db2.gz ZFSTZWZQWLFTSR-CYBMUJFWSA-N 1 0 300.366 0.851 10 30 DCEERO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000262336254 238172303 /nfs/dbraw/zinc/17/23/03/238172303.db2.gz ZJCMTIVQSPUTMS-LLVKDONJSA-N 1 0 319.475 0.350 10 30 DCEERO Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CS(=O)(=O)CCO2)c1 ZINC000262683840 238178382 /nfs/dbraw/zinc/17/83/82/238178382.db2.gz XQGDSYVUAUOPFT-ZDUSSCGKSA-N 1 0 311.407 0.844 10 30 DCEERO [NH2+]=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)N1CCN(c2ncccn2)CC1 ZINC000262812266 238181540 /nfs/dbraw/zinc/18/15/40/238181540.db2.gz OGRFGNVVSUVLAH-BFHYXJOUSA-N 1 0 316.409 0.481 10 30 DCEERO Cn1cnc2c(c1=O)CCN(C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1)C2 ZINC000328618506 238550053 /nfs/dbraw/zinc/55/00/53/238550053.db2.gz DTSYKIPVYDOIPI-VXGBXAGGSA-N 1 0 319.409 0.535 10 30 DCEERO COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000371020021 239182076 /nfs/dbraw/zinc/18/20/76/239182076.db2.gz SOXWWMJBGQYXMB-ZFWWWQNUSA-N 1 0 321.425 0.089 10 30 DCEERO CS(=O)(=O)N1CCCC[C@@H]1CNC(=[NH2+])NCC1CCC1 ZINC000262680698 533382434 /nfs/dbraw/zinc/38/24/34/533382434.db2.gz VZNMLOGRGZAGLW-GFCCVEGCSA-N 1 0 302.444 0.505 10 30 DCEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)CN1CC(=O)NC1=O)C(C)C ZINC000134931357 395935329 /nfs/dbraw/zinc/93/53/29/395935329.db2.gz LHNCLARHUWEKDZ-ZDUSSCGKSA-N 1 0 322.409 0.353 10 30 DCEERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000155251908 396048909 /nfs/dbraw/zinc/04/89/09/396048909.db2.gz BKUQAIOJOCHKSE-OAHLLOKOSA-N 1 0 302.378 0.759 10 30 DCEERO C[NH+](C)[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000163129429 396086244 /nfs/dbraw/zinc/08/62/44/396086244.db2.gz YRSXIEMGPBKRTP-AWEZNQCLSA-N 1 0 307.419 0.968 10 30 DCEERO C=CCCSCCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000595284430 396580033 /nfs/dbraw/zinc/58/00/33/396580033.db2.gz QSQBGHOKABVICG-BETUJISGSA-N 1 0 311.451 0.765 10 30 DCEERO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595716742 396650334 /nfs/dbraw/zinc/65/03/34/396650334.db2.gz CZJOBKXXRLXDFZ-OGHNNQOOSA-N 1 0 324.421 0.967 10 30 DCEERO C[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)n1cnc(C#N)n1 ZINC000560760438 396624744 /nfs/dbraw/zinc/62/47/44/396624744.db2.gz OPCQXRUOPQZSOY-JHJVBQTASA-N 1 0 302.382 0.796 10 30 DCEERO C=CCNC(=O)NC(=O)CN1C[C@H]([NH3+])CCc2ccccc21 ZINC000595903971 396680180 /nfs/dbraw/zinc/68/01/80/396680180.db2.gz KFMKMOCLZUADKB-CYBMUJFWSA-N 1 0 302.378 0.778 10 30 DCEERO N#Cc1ccccc1OCC[N@H+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000585803721 396659402 /nfs/dbraw/zinc/65/94/02/396659402.db2.gz XKFXIVMASRVQNH-MRXNPFEDSA-N 1 0 313.361 0.666 10 30 DCEERO C[C@@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)n1cnc(C#N)n1 ZINC000619612766 397159822 /nfs/dbraw/zinc/15/98/22/397159822.db2.gz VAKQYPMEXJBWPC-STQMWFEESA-N 1 0 302.382 0.798 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CCO)C[C@@H]2C)CC1 ZINC000458315198 397428799 /nfs/dbraw/zinc/42/87/99/397428799.db2.gz FPFSYYMKAGKVDL-HNNXBMFYSA-N 1 0 324.469 0.735 10 30 DCEERO C=C(C)C[C@@H](NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C(=O)OC ZINC000602600546 397446487 /nfs/dbraw/zinc/44/64/87/397446487.db2.gz OMWGMRYIJHOVOP-NWDGAFQWSA-N 1 0 321.381 0.268 10 30 DCEERO Cn1cc(C#N)cc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000081790456 158085516 /nfs/dbraw/zinc/08/55/16/158085516.db2.gz UFERGYDCGHPYLQ-CYBMUJFWSA-N 1 0 302.378 0.691 10 30 DCEERO Cc1nc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)ccc1C#N ZINC000172116180 158390290 /nfs/dbraw/zinc/39/02/90/158390290.db2.gz YWZRDVRLDMVQNF-CQSZACIVSA-N 1 0 300.362 0.855 10 30 DCEERO N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000246142092 158658047 /nfs/dbraw/zinc/65/80/47/158658047.db2.gz RIADLMMFRRUACN-SJORKVTESA-N 1 0 301.390 0.998 10 30 DCEERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC(C#N)CC2)C1 ZINC000057906232 415339067 /nfs/dbraw/zinc/33/90/67/415339067.db2.gz BPYMUUBPWUTFPO-MRXNPFEDSA-N 1 0 322.453 0.695 10 30 DCEERO C#CCNC(=O)[C@H](C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863389 415633935 /nfs/dbraw/zinc/63/39/35/415633935.db2.gz MZHOSBGJWXWKLJ-HNNXBMFYSA-N 1 0 317.437 0.417 10 30 DCEERO C#CCNC(=O)[C@H](C)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864403 415638771 /nfs/dbraw/zinc/63/87/71/415638771.db2.gz QLEAPDVPQGZTSU-NWDGAFQWSA-N 1 0 305.382 0.195 10 30 DCEERO C=CCCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000289376703 415706417 /nfs/dbraw/zinc/70/64/17/415706417.db2.gz KCPOJYVZIPLIBD-KBPBESRZSA-N 1 0 311.426 0.636 10 30 DCEERO C#Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000296412116 415926609 /nfs/dbraw/zinc/92/66/09/415926609.db2.gz KMTCEAWYDXMDFG-MRXNPFEDSA-N 1 0 313.401 0.694 10 30 DCEERO N#Cc1cccnc1N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000152861402 415971607 /nfs/dbraw/zinc/97/16/07/415971607.db2.gz BIJQSKXVQRALQP-UHFFFAOYSA-N 1 0 302.378 0.617 10 30 DCEERO C=CCOCC[NH2+]C1(CC(=O)OC)CCS(=O)(=O)CC1 ZINC000339114433 416151883 /nfs/dbraw/zinc/15/18/83/416151883.db2.gz XPXVFNLUMBLMGL-UHFFFAOYSA-N 1 0 305.396 0.289 10 30 DCEERO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000358217206 416213845 /nfs/dbraw/zinc/21/38/45/416213845.db2.gz VOJVYKJHBAIHRS-ZDUSSCGKSA-N 1 0 313.354 0.042 10 30 DCEERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]21 ZINC000186008255 416254105 /nfs/dbraw/zinc/25/41/05/416254105.db2.gz SGRIUNRUIWKPLH-RWMBFGLXSA-N 1 0 322.409 0.861 10 30 DCEERO C=CCCOCCNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422395221 416429153 /nfs/dbraw/zinc/42/91/53/416429153.db2.gz IQSHOPCRZXBBGY-UHFFFAOYSA-N 1 0 316.361 0.659 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000424448249 416646639 /nfs/dbraw/zinc/64/66/39/416646639.db2.gz OLXVSTIDLKFLEH-WFASDCNBSA-N 1 0 315.373 0.936 10 30 DCEERO C[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)n1cnc(C#N)n1 ZINC000515293957 416695480 /nfs/dbraw/zinc/69/54/80/416695480.db2.gz JPTBAPUXBOQTDU-NSHDSACASA-N 1 0 302.382 0.701 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000616493427 417061527 /nfs/dbraw/zinc/06/15/27/417061527.db2.gz LENUWRZBHZKXOQ-OAHLLOKOSA-N 1 0 323.437 0.781 10 30 DCEERO C=CC[C@@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632591331 417182646 /nfs/dbraw/zinc/18/26/46/417182646.db2.gz UHKPDQIRGLUZRE-OAHLLOKOSA-N 1 0 315.483 0.852 10 30 DCEERO C=C1CC(C)(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000631481451 417886886 /nfs/dbraw/zinc/88/68/86/417886886.db2.gz OVFFBMIOIXLIGQ-UHFFFAOYSA-N 1 0 319.409 0.856 10 30 DCEERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000377917954 276378752 /nfs/dbraw/zinc/37/87/52/276378752.db2.gz SWKIQKTYQDDSSY-LSDHHAIUSA-N 1 0 305.426 0.852 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCCCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262469277 276842771 /nfs/dbraw/zinc/84/27/71/276842771.db2.gz OLAUFYQAXHXDGR-CABCVRRESA-N 1 0 310.442 0.537 10 30 DCEERO CS(=O)(=O)N1CCCC[C@H]1CNC(=[NH2+])N1CCCCCC1 ZINC000262684515 277496063 /nfs/dbraw/zinc/49/60/63/277496063.db2.gz XTJVKCBZKAADHF-ZDUSSCGKSA-N 1 0 316.471 0.991 10 30 DCEERO [NH2+]=C(NCCc1cc(F)cc2c1OCOC2)N1CCOCC1 ZINC000262020150 279551267 /nfs/dbraw/zinc/55/12/67/279551267.db2.gz XPQSFSFOLZPPGO-UHFFFAOYSA-N 1 0 309.341 0.882 10 30 DCEERO C[C@H](CC(=O)NCCN1CC[NH+](C)CC1)N1CCCCC1=O ZINC000330073653 336111490 /nfs/dbraw/zinc/11/14/90/336111490.db2.gz FEUJTKUUPRPDQH-CQSZACIVSA-N 1 0 310.442 0.981 10 30 DCEERO C=CCOCCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000376844798 337042572 /nfs/dbraw/zinc/04/25/72/337042572.db2.gz LRJOLWRQTSQDGN-LSDHHAIUSA-N 1 0 323.437 0.638 10 30 DCEERO C=CCOCCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000376844795 337042627 /nfs/dbraw/zinc/04/26/27/337042627.db2.gz LRJOLWRQTSQDGN-CABCVRRESA-N 1 0 323.437 0.638 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424537457 337854485 /nfs/dbraw/zinc/85/44/85/337854485.db2.gz CLCHYGDAAQRBHL-UONOGXRCSA-N 1 0 319.409 0.098 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCCn2cc(Br)cn2)CCO1 ZINC000262690087 533788426 /nfs/dbraw/zinc/78/84/26/533788426.db2.gz ZYQVHGRVIYWCKB-VIFPVBQESA-N 1 0 316.203 0.681 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000425874958 534587512 /nfs/dbraw/zinc/58/75/12/534587512.db2.gz SGPFUFJRDQICQE-XGUBFFRZSA-N 1 0 321.421 0.437 10 30 DCEERO C=CCNC(=O)CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000181722097 526567751 /nfs/dbraw/zinc/56/77/51/526567751.db2.gz JFWGICQWIKWDRJ-UHFFFAOYSA-N 1 0 305.378 0.659 10 30 DCEERO C=CCOCCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371638215 526779344 /nfs/dbraw/zinc/77/93/44/526779344.db2.gz PJLMCMIZDVWCML-AWEZNQCLSA-N 1 0 310.442 0.657 10 30 DCEERO CC[NH+]=C(NC[C@H]1CCCS1)NC[C@@H]1CN(C)CCO1 ZINC000157350447 528814348 /nfs/dbraw/zinc/81/43/48/528814348.db2.gz JPNQERCFSDKPCU-CHWSQXEVSA-N 1 0 300.472 0.768 10 30 DCEERO CC[NH+]=C(NCc1c(C)nn(C)c1C)N[C@@H]1CCC(=O)NC1 ZINC000262762782 528815451 /nfs/dbraw/zinc/81/54/51/528815451.db2.gz DYAVZRWSPFJYGI-GFCCVEGCSA-N 1 0 306.414 0.371 10 30 DCEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261761089 528820388 /nfs/dbraw/zinc/82/03/88/528820388.db2.gz MXNWEALZOZXXCU-IETSOEAISA-N 1 0 321.425 0.670 10 30 DCEERO CC[NH+]1CCN(CCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000369220647 529140565 /nfs/dbraw/zinc/14/05/65/529140565.db2.gz LDRUUCYWKLMUIS-MRXNPFEDSA-N 1 0 319.453 0.213 10 30 DCEERO C=CCn1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)nn1 ZINC000615274836 546317586 /nfs/dbraw/zinc/31/75/86/546317586.db2.gz KLHPXAJLRDITNO-UONOGXRCSA-N 1 0 305.382 0.399 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCCO1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261963012 661933591 /nfs/dbraw/zinc/93/35/91/661933591.db2.gz KSVUVMLPWMXUOX-LBPRGKRZSA-N 1 0 317.455 0.640 10 30 DCEERO Cc1noc([C@@]2(O)CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000764038122 668432313 /nfs/dbraw/zinc/43/23/13/668432313.db2.gz NASJRLZULGNXFO-GDBMZVCRSA-N 1 0 314.345 0.877 10 30 DCEERO N#Cc1cc(F)cc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000720326826 685312693 /nfs/dbraw/zinc/31/26/93/685312693.db2.gz OVZQJUCPEMTQPP-SNVBAGLBSA-N 1 0 307.297 0.958 10 30 DCEERO C[C@H]1CN(CCC(=O)Nc2sccc2C#N)CC[N@@H+]1CCO ZINC000187707078 200147437 /nfs/dbraw/zinc/14/74/37/200147437.db2.gz ABUNEDKVRCSULU-LBPRGKRZSA-N 1 0 322.434 0.947 10 30 DCEERO [NH2+]=C(NCCc1cccs1)NC[C@H]1CS(=O)(=O)CCO1 ZINC000262678661 238178899 /nfs/dbraw/zinc/17/88/99/238178899.db2.gz UZAHTOWDTZHTJY-JTQLQIEISA-N 1 0 317.436 0.009 10 30 DCEERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000329347710 238615253 /nfs/dbraw/zinc/61/52/53/238615253.db2.gz RXWKEMUDKHLEHX-MBNYWOFBSA-N 1 0 308.426 0.984 10 30 DCEERO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000371020019 532976237 /nfs/dbraw/zinc/97/62/37/532976237.db2.gz SOXWWMJBGQYXMB-UKRRQHHQSA-N 1 0 321.425 0.089 10 30 DCEERO C[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000408063540 533206417 /nfs/dbraw/zinc/20/64/17/533206417.db2.gz JEKHGENQLVDOMV-MJBXVCDLSA-N 1 0 306.410 0.832 10 30 DCEERO N#Cc1cccc(S(=O)(=O)CCN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000131256176 395924970 /nfs/dbraw/zinc/92/49/70/395924970.db2.gz FOZNEAAOCMLOQI-KBPBESRZSA-N 1 0 305.403 0.483 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CCOc2ccc(C[NH3+])cc21 ZINC000601324922 397055869 /nfs/dbraw/zinc/05/58/69/397055869.db2.gz QQJATHPLUDBNJC-UHFFFAOYSA-N 1 0 304.350 0.356 10 30 DCEERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000619596111 397155344 /nfs/dbraw/zinc/15/53/44/397155344.db2.gz GKWDBJOAORMWPN-UPJWGTAASA-N 1 0 302.382 0.796 10 30 DCEERO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)n1cnc(C#N)n1 ZINC000619612764 397159806 /nfs/dbraw/zinc/15/98/06/397159806.db2.gz VAKQYPMEXJBWPC-OLZOCXBDSA-N 1 0 302.382 0.798 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000613602308 397286367 /nfs/dbraw/zinc/28/63/67/397286367.db2.gz IBWWNLIOADMZRV-ZBFHGGJFSA-N 1 0 324.469 0.600 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000614659932 397492360 /nfs/dbraw/zinc/49/23/60/397492360.db2.gz DZLGCPRUPHHICW-CABCVRRESA-N 1 0 311.426 0.420 10 30 DCEERO CC[C@H]1CC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000330245185 159153351 /nfs/dbraw/zinc/15/33/51/159153351.db2.gz DPSLVWRGXXMZQS-ZDUSSCGKSA-N 1 0 317.393 0.988 10 30 DCEERO CS(=O)(=O)N1CCC(C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352810906 415335549 /nfs/dbraw/zinc/33/55/49/415335549.db2.gz PHMAZKCZSVACSL-UHFFFAOYSA-N 1 0 314.436 0.776 10 30 DCEERO CCS(=O)(=O)N1CCC([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352836609 415342207 /nfs/dbraw/zinc/34/22/07/415342207.db2.gz VKFARUMYMZROBU-UHFFFAOYSA-N 1 0 314.436 0.918 10 30 DCEERO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)CCCCC#N ZINC000068912639 415400314 /nfs/dbraw/zinc/40/03/14/415400314.db2.gz LVDMYEGENZHEQW-ZDUSSCGKSA-N 1 0 303.428 0.710 10 30 DCEERO C=CCN(C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000285364227 415610646 /nfs/dbraw/zinc/61/06/46/415610646.db2.gz ZBOZQHTZKHUQHR-HNNXBMFYSA-N 1 0 303.406 0.920 10 30 DCEERO C=CCSCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000286523783 415630137 /nfs/dbraw/zinc/63/01/37/415630137.db2.gz PKWKVKYCHJJXAD-CHWSQXEVSA-N 1 0 313.467 0.963 10 30 DCEERO CCN(C[C@@H](C)C#N)C(=O)CN1CCN(CCOC)[C@H](C)C1 ZINC000105833962 415634846 /nfs/dbraw/zinc/63/48/46/415634846.db2.gz VPKQOLRTWXXNFV-LSDHHAIUSA-N 1 0 310.442 0.647 10 30 DCEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869512 415638471 /nfs/dbraw/zinc/63/84/71/415638471.db2.gz YLVAQAUZAFQQNZ-AWEZNQCLSA-N 1 0 305.426 0.619 10 30 DCEERO C#CCNC(=O)[C@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869676 415638897 /nfs/dbraw/zinc/63/88/97/415638897.db2.gz NZFJYKXKRMYJBD-AWEZNQCLSA-N 1 0 303.410 0.066 10 30 DCEERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CSCC#N)CC1 ZINC000107282742 415663567 /nfs/dbraw/zinc/66/35/67/415663567.db2.gz HKJKHAVCBMJCKM-AWEZNQCLSA-N 1 0 310.467 0.872 10 30 DCEERO C#CC[NH+]1CCC(C(=O)NC[C@H]2CN(C3CC3)CCO2)CC1 ZINC000114856768 415721974 /nfs/dbraw/zinc/72/19/74/415721974.db2.gz FZYADGCHTFZDRK-INIZCTEOSA-N 1 0 305.422 0.311 10 30 DCEERO C=CC[C@H](CO)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000341440917 416210115 /nfs/dbraw/zinc/21/01/15/416210115.db2.gz LQUIMWNYTDUSDC-ILXRZTDVSA-N 1 0 311.426 0.600 10 30 DCEERO C=CCC[C@H](O)C[NH2+]C1(CC(=O)OC)CCS(=O)(=O)CC1 ZINC000439266871 416610769 /nfs/dbraw/zinc/61/07/69/416610769.db2.gz CNXXJUMINYKLCZ-LBPRGKRZSA-N 1 0 319.423 0.414 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000424516230 416659958 /nfs/dbraw/zinc/65/99/58/416659958.db2.gz DOLWLRDZXABRGH-XUXIUFHCSA-N 1 0 309.410 0.198 10 30 DCEERO C=CCOc1cccc(NS(=O)(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000631929281 416810426 /nfs/dbraw/zinc/81/04/26/416810426.db2.gz AVDAVYKJGGWBFH-CQSZACIVSA-N 1 0 312.391 0.982 10 30 DCEERO C=CCCCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627015086 417209920 /nfs/dbraw/zinc/20/99/20/417209920.db2.gz JGBDBGQFZNXGMZ-UHFFFAOYSA-N 1 0 323.441 0.695 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627290238 417332596 /nfs/dbraw/zinc/33/25/96/417332596.db2.gz IVQQCPOWHCQTIU-SYQHCUMBSA-N 1 0 309.410 0.341 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627421886 417403083 /nfs/dbraw/zinc/40/30/83/417403083.db2.gz VRUXMUJFCSFCAI-MGBSGCIJSA-N 1 0 321.421 0.152 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627421870 417403900 /nfs/dbraw/zinc/40/39/00/417403900.db2.gz VETPYQXDJBFCIN-AVGNSLFASA-N 1 0 307.394 0.095 10 30 DCEERO N#Cc1cnc(N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cn1 ZINC000363697562 268312588 /nfs/dbraw/zinc/31/25/88/268312588.db2.gz FNYIHXYSPPBCLF-ZDUSSCGKSA-N 1 0 302.382 0.167 10 30 DCEERO CC[NH+]=C(NCc1c[nH]nc1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000262475685 276096094 /nfs/dbraw/zinc/09/60/94/276096094.db2.gz QBOJPRZTNFTEOJ-OAHLLOKOSA-N 1 0 320.441 0.590 10 30 DCEERO CC[NH+]=C(NCC(C)(C)C(N)=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261695064 280836832 /nfs/dbraw/zinc/83/68/32/280836832.db2.gz FNPOBZLANGWSKN-MRXNPFEDSA-N 1 0 323.441 0.066 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@H](N2CCOCC2)C1 ZINC000262493651 280840627 /nfs/dbraw/zinc/84/06/27/280840627.db2.gz VRPSCMWXIOYQEL-GJZGRUSLSA-N 1 0 310.442 0.537 10 30 DCEERO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000363470805 298277311 /nfs/dbraw/zinc/27/73/11/298277311.db2.gz KFOYGQHNDNVRLU-UPJWGTAASA-N 1 0 300.428 0.634 10 30 DCEERO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2C1=O ZINC000516921482 331935234 /nfs/dbraw/zinc/93/52/34/331935234.db2.gz IZGZGSKFQTWGRV-GFCCVEGCSA-N 1 0 313.357 0.903 10 30 DCEERO C=CC[C@H](CO)[NH2+]C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000564979056 332344369 /nfs/dbraw/zinc/34/43/69/332344369.db2.gz QJHLOOPZTQKCOX-CABCVRRESA-N 1 0 308.378 0.911 10 30 DCEERO C=CCn1cc(CNC(=O)NCCCC[NH+]2CCOCC2)nn1 ZINC000425414265 334892296 /nfs/dbraw/zinc/89/22/96/334892296.db2.gz HPXYTYIWGOCQAC-UHFFFAOYSA-N 1 0 322.413 0.376 10 30 DCEERO Cc1nc(CNC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)no1 ZINC000329799140 336083209 /nfs/dbraw/zinc/08/32/09/336083209.db2.gz HFLHGTINBJVSMF-LLVKDONJSA-N 1 0 323.397 0.977 10 30 DCEERO C#CCCN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301069157 336288245 /nfs/dbraw/zinc/28/82/45/336288245.db2.gz DYIMPFDMVPYZBB-UHFFFAOYSA-N 1 0 303.322 0.234 10 30 DCEERO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420118449 337495888 /nfs/dbraw/zinc/49/58/88/337495888.db2.gz MOFNAPQJGZRIRN-DZGCQCFKSA-N 1 0 319.405 0.951 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000425909403 338018688 /nfs/dbraw/zinc/01/86/88/338018688.db2.gz OQTSUFPVDLGIQL-KBPBESRZSA-N 1 0 311.426 0.540 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000425910974 338018885 /nfs/dbraw/zinc/01/88/85/338018885.db2.gz ZMUQZWWBEIFGAU-BARDWOONSA-N 1 0 323.437 0.635 10 30 DCEERO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2[C@H](C)COC[C@@H]2C)CC1 ZINC000245569776 341302860 /nfs/dbraw/zinc/30/28/60/341302860.db2.gz WMMYPFXHLPOODZ-OWCLPIDISA-N 1 0 322.453 0.788 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000574441771 341758764 /nfs/dbraw/zinc/75/87/64/341758764.db2.gz BYQNDQZOPNUXKX-SCRDCRAPSA-N 1 0 305.382 0.524 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCc2ncn(-c3ccccc3)n2)CCO1 ZINC000263146343 533787344 /nfs/dbraw/zinc/78/73/44/533787344.db2.gz OWUKGIKJALHIQN-LBPRGKRZSA-N 1 0 300.366 0.803 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCC2(CS(C)(=O)=O)CCC2)CCO1 ZINC000263053850 534271122 /nfs/dbraw/zinc/27/11/22/534271122.db2.gz DRRGPLJVUTZDFH-LLVKDONJSA-N 1 0 303.428 0.237 10 30 DCEERO [NH2+]=C(NCCn1cc(Br)cn1)NC[C@@H]1CCCO1 ZINC000262119025 534833562 /nfs/dbraw/zinc/83/35/62/534833562.db2.gz LSDFNHLTQFOWME-JTQLQIEISA-N 1 0 316.203 0.729 10 30 DCEERO C[NH+]=C(NCCN(C)C1CC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262459246 526354725 /nfs/dbraw/zinc/35/47/25/526354725.db2.gz MAQSZSVCMPFKJM-CYBMUJFWSA-N 1 0 304.442 0.879 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000262823561 526369863 /nfs/dbraw/zinc/36/98/63/526369863.db2.gz YXSLDWKCWPJRBU-XQQFMLRXSA-N 1 0 306.414 0.227 10 30 DCEERO C[NH+]=C(NC[C@@H]1CN(C)CCO1)NC[C@@](C)(O)c1ccc(C)o1 ZINC000262490240 526373812 /nfs/dbraw/zinc/37/38/12/526373812.db2.gz ZHAMGPWZZUJGQJ-CZUORRHYSA-N 1 0 324.425 0.291 10 30 DCEERO C[NH+]=C(NCc1cc(C)no1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261834205 526381135 /nfs/dbraw/zinc/38/11/35/526381135.db2.gz VWLUNXSHVOCTKW-OAHLLOKOSA-N 1 0 305.382 0.661 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261773836 526591693 /nfs/dbraw/zinc/59/16/93/526591693.db2.gz OZCNHIFVXPKJAO-ZDUSSCGKSA-N 1 0 303.366 0.040 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368634148 526593434 /nfs/dbraw/zinc/59/34/34/526593434.db2.gz UHVSTPYKLRRESU-AWEZNQCLSA-N 1 0 302.378 0.958 10 30 DCEERO N#Cc1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000158914388 526681566 /nfs/dbraw/zinc/68/15/66/526681566.db2.gz QBIVHSDFNGDTCK-AWEZNQCLSA-N 1 0 323.418 0.683 10 30 DCEERO C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247014569 527024197 /nfs/dbraw/zinc/02/41/97/527024197.db2.gz CHRMPESWBLDJHF-KBPBESRZSA-N 1 0 301.394 0.515 10 30 DCEERO C=CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000248534219 527204563 /nfs/dbraw/zinc/20/45/63/527204563.db2.gz ZPEPUPDSVMXQAX-KFWWJZLASA-N 1 0 323.437 0.372 10 30 DCEERO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC(CO)C1)C(C)C ZINC000284113726 527648399 /nfs/dbraw/zinc/64/83/99/527648399.db2.gz QJGFKZQTRUFACX-OAHLLOKOSA-N 1 0 323.437 0.252 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCOC1)NC[C@H]1CCc2nnc(C)n2C1 ZINC000262827586 528812182 /nfs/dbraw/zinc/81/21/82/528812182.db2.gz YUHAJAGCAARPBJ-KGLIPLIRSA-N 1 0 320.441 0.741 10 30 DCEERO CC[NH+]=C(NC[C@H](C)N1CCOCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261934853 528813183 /nfs/dbraw/zinc/81/31/83/528813183.db2.gz CEGGXHZZBCYMOD-DOTOQJQBSA-N 1 0 324.469 0.785 10 30 DCEERO CCNC(=[NH2+])NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000262656109 528941695 /nfs/dbraw/zinc/94/16/95/528941695.db2.gz LPYCXFBBWOICQZ-SNVBAGLBSA-N 1 0 316.452 0.683 10 30 DCEERO C=CCCn1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)nn1 ZINC000615275074 546316841 /nfs/dbraw/zinc/31/68/41/546316841.db2.gz LEHWUJWLVBEOJT-GJZGRUSLSA-N 1 0 319.409 0.789 10 30 DCEERO CC[NH+]=C(NCCN1CCC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261710328 661524206 /nfs/dbraw/zinc/52/42/06/661524206.db2.gz HDCBXRNGNFGILT-OAHLLOKOSA-N 1 0 320.441 0.465 10 30 DCEERO CCc1nnc(N(C)CC(=O)N2CC[NH2+]CC2)c(C#N)c1CC ZINC000261710822 661526956 /nfs/dbraw/zinc/52/69/56/661526956.db2.gz KZCYOZCCOOYSJD-UHFFFAOYSA-N 1 0 316.409 0.341 10 30 DCEERO CO[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@H]1c1cn(C)nn1 ZINC000886093683 667731591 /nfs/dbraw/zinc/73/15/91/667731591.db2.gz AKGDCZQQWGYHCW-DZGCQCFKSA-N 1 0 300.366 0.640 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C(=O)OCC)C2)CC1 ZINC000741228078 667763251 /nfs/dbraw/zinc/76/32/51/667763251.db2.gz GKBVEQBHDUANEM-AWEZNQCLSA-N 1 0 308.378 0.122 10 30 DCEERO C=CCn1nnn(CN2CC[N@@H+](CCOC)[C@H](C)C2)c1=S ZINC000117322787 671193047 /nfs/dbraw/zinc/19/30/47/671193047.db2.gz PTYPTDAYRSBRSG-GFCCVEGCSA-N 1 0 312.443 0.605 10 30 DCEERO COCC[NH2+]CCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720288841 685312779 /nfs/dbraw/zinc/31/27/79/685312779.db2.gz NTORBVALJJTSCK-UHFFFAOYSA-N 1 0 301.343 0.212 10 30 DCEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N(C)CCC#N ZINC000408233846 529407982 /nfs/dbraw/zinc/40/79/82/529407982.db2.gz YCAWQSXBMFJYOH-CHWSQXEVSA-N 1 0 300.428 0.635 10 30 DCEERO CCc1ccc(NC(=[NH2+])NC[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000262687328 529662184 /nfs/dbraw/zinc/66/21/84/529662184.db2.gz YVFHVAMNUXJLCA-CYBMUJFWSA-N 1 0 311.407 0.789 10 30 DCEERO C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CC12CCOCC2 ZINC000262842344 530039572 /nfs/dbraw/zinc/03/95/72/530039572.db2.gz UTTIWPOLCYITOF-CQSZACIVSA-N 1 0 310.442 0.300 10 30 DCEERO CN(C)C(=O)CNC(N[C@@H]1CCC2(C1)OCCO2)=[NH+]C1CC1 ZINC000262255977 238171772 /nfs/dbraw/zinc/17/17/72/238171772.db2.gz CQDDSWRBYHDHJL-GFCCVEGCSA-N 1 0 310.398 0.068 10 30 DCEERO CN(C)C(=[NH+]CCN1CCN(C(=O)C2CCC2)CC1)N(C)C ZINC000262536007 238176426 /nfs/dbraw/zinc/17/64/26/238176426.db2.gz PTRCINFOLUMVSM-UHFFFAOYSA-N 1 0 309.458 0.410 10 30 DCEERO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000363624667 285049311 /nfs/dbraw/zinc/04/93/11/285049311.db2.gz JRJJYQRKDOMPRB-RDBSUJKOSA-N 1 0 314.455 0.881 10 30 DCEERO CCOC(=O)[C@@H](Cn1ccc(=O)[nH]c1=S)[n+]1ccccc1 ZINC000005399862 395682740 /nfs/dbraw/zinc/68/27/40/395682740.db2.gz FGUUQUYMAUCLFS-LLVKDONJSA-O 1 0 306.367 0.998 10 30 DCEERO C[NH2+]C1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000261706864 396058732 /nfs/dbraw/zinc/05/87/32/396058732.db2.gz PDPBJBBAYYFMIE-UHFFFAOYSA-N 1 0 309.391 0.939 10 30 DCEERO N#Cc1cc(Br)ccc1CN1CC[C@](O)(C(N)=O)C1 ZINC000287647402 396413637 /nfs/dbraw/zinc/41/36/37/396413637.db2.gz GNKNDMGWYWBHON-CYBMUJFWSA-N 1 0 324.178 0.743 10 30 DCEERO C=CCCSCCNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000595283092 396579191 /nfs/dbraw/zinc/57/91/91/396579191.db2.gz HLMOXKVIQJBZCQ-UHFFFAOYSA-N 1 0 311.451 0.766 10 30 DCEERO C=CC[C@]1(C(=O)N2CCN(CCC(=O)OC)[C@@H](C)C2)CCC[NH2+]1 ZINC000595956051 396695451 /nfs/dbraw/zinc/69/54/51/396695451.db2.gz JBRQQKJORCPYTG-WMLDXEAASA-N 1 0 323.437 0.781 10 30 DCEERO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1 ZINC000611194948 396832603 /nfs/dbraw/zinc/83/26/03/396832603.db2.gz RTHJWHXKDVWTJS-ZIAGYGMSSA-N 1 0 318.377 0.235 10 30 DCEERO C=CCOCCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000612413661 397047911 /nfs/dbraw/zinc/04/79/11/397047911.db2.gz CRVFVJNKHPJFLJ-CYBMUJFWSA-N 1 0 311.426 0.684 10 30 DCEERO C=C(C)C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)OC ZINC000601786615 397244115 /nfs/dbraw/zinc/24/41/15/397244115.db2.gz YVDRKPUHOQJIQN-CYBMUJFWSA-N 1 0 308.382 0.682 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602886714 397512901 /nfs/dbraw/zinc/51/29/01/397512901.db2.gz CQCSLGIDNPTBAO-OLZOCXBDSA-N 1 0 320.397 0.705 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000602953207 397532512 /nfs/dbraw/zinc/53/25/12/397532512.db2.gz XWSDAGJVJWIIQJ-UHFFFAOYSA-N 1 0 308.426 0.949 10 30 DCEERO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)ncn1 ZINC000105797678 415631316 /nfs/dbraw/zinc/63/13/16/415631316.db2.gz WSLPUNFPNJHGAM-QWHCGFSZSA-N 1 0 318.425 0.767 10 30 DCEERO C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803542 415632087 /nfs/dbraw/zinc/63/20/87/415632087.db2.gz CHRMPESWBLDJHF-UONOGXRCSA-N 1 0 301.394 0.515 10 30 DCEERO CCOCCN1CCN([C@@H](C)C(=O)N(C)CCC#N)C[C@@H]1C ZINC000105835093 415635024 /nfs/dbraw/zinc/63/50/24/415635024.db2.gz ZZUGFZVGHQWKCY-GJZGRUSLSA-N 1 0 310.442 0.790 10 30 DCEERO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000118957216 415738020 /nfs/dbraw/zinc/73/80/20/415738020.db2.gz RQIHQHMVOKJQEW-UHFFFAOYSA-N 1 0 318.381 0.880 10 30 DCEERO C=C[C@](C)(O)CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000354258417 415785530 /nfs/dbraw/zinc/78/55/30/415785530.db2.gz ZTBJOXYRWFRMCZ-WBVHZDCISA-N 1 0 309.454 0.942 10 30 DCEERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328812265 416134334 /nfs/dbraw/zinc/13/43/34/416134334.db2.gz BJYFBGDVRWGVLB-BPLDGKMQSA-N 1 0 310.442 0.693 10 30 DCEERO CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCCNC3=O)C[C@@H]21 ZINC000328845154 416136053 /nfs/dbraw/zinc/13/60/53/416136053.db2.gz ABHXKOLAKOMQFQ-FRRDWIJNSA-N 1 0 310.398 0.814 10 30 DCEERO CNC(=O)Cn1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000329138133 416152728 /nfs/dbraw/zinc/15/27/28/416152728.db2.gz IBRPEKLVSLVXSA-LBPRGKRZSA-N 1 0 306.370 0.795 10 30 DCEERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000329491606 416172950 /nfs/dbraw/zinc/17/29/50/416172950.db2.gz VOZVKYUCXAUFRD-VXGBXAGGSA-N 1 0 314.386 0.247 10 30 DCEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN1CCNC(=O)C1 ZINC000329296069 416162577 /nfs/dbraw/zinc/16/25/77/416162577.db2.gz KICCSWSJOUVVDE-ZIAGYGMSSA-N 1 0 323.441 0.731 10 30 DCEERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cn1cnc(C#N)n1 ZINC000178443092 416163427 /nfs/dbraw/zinc/16/34/27/416163427.db2.gz QMZBIONNACFCKC-CQSZACIVSA-N 1 0 312.377 0.439 10 30 DCEERO N#C[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CCN1C1CC1 ZINC000363520374 416574736 /nfs/dbraw/zinc/57/47/36/416574736.db2.gz QOFUXBSYNSWXAD-INIZCTEOSA-N 1 0 317.437 0.995 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000567728670 417067121 /nfs/dbraw/zinc/06/71/21/417067121.db2.gz RXNVRBSLPARDCR-ILXRZTDVSA-N 1 0 310.442 0.513 10 30 DCEERO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(C#N)n1C ZINC000450967140 417287576 /nfs/dbraw/zinc/28/75/76/417287576.db2.gz LALOYAVVTWVFOX-LBPRGKRZSA-N 1 0 304.394 0.814 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627290590 417334157 /nfs/dbraw/zinc/33/41/57/417334157.db2.gz UVRITZFWFJJBQO-MCIONIFRSA-N 1 0 321.421 0.485 10 30 DCEERO C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000627733899 417493205 /nfs/dbraw/zinc/49/32/05/417493205.db2.gz GYSVBAXHTASTJT-CYBMUJFWSA-N 1 0 319.409 0.808 10 30 DCEERO C=C(C)CN1CCC([NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000634703157 417526235 /nfs/dbraw/zinc/52/62/35/417526235.db2.gz QXYHDBOXDRYQLE-INIZCTEOSA-N 1 0 312.454 0.909 10 30 DCEERO CN(CC(=O)N1CCOCC1)Cc1cnc2ccc(C#N)cn12 ZINC000179675787 261113804 /nfs/dbraw/zinc/11/38/04/261113804.db2.gz RNMLVGUBZDWJGC-UHFFFAOYSA-N 1 0 313.361 0.497 10 30 DCEERO C[NH+]=C(NC[C@H](C)N(C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261994647 277752129 /nfs/dbraw/zinc/75/21/29/277752129.db2.gz SCCKNGWDIFPOHX-NSHDSACASA-N 1 0 304.460 0.021 10 30 DCEERO CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCCn2nc(C)nc21 ZINC000262785802 280837397 /nfs/dbraw/zinc/83/73/97/280837397.db2.gz MLVCZSOLCYFJJC-GFCCVEGCSA-N 1 0 306.414 0.892 10 30 DCEERO CC[NH+]=C(NCc1nc(C)no1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261807409 280843248 /nfs/dbraw/zinc/84/32/48/280843248.db2.gz SDZCKAQMBVYVJM-HNNXBMFYSA-N 1 0 320.397 0.446 10 30 DCEERO C=CC[C@@H](CO)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418606308 337387203 /nfs/dbraw/zinc/38/72/03/337387203.db2.gz BMXJXGORSWQZKW-QWRGUYRKSA-N 1 0 324.347 0.059 10 30 DCEERO C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2C1=O ZINC000423964041 337730032 /nfs/dbraw/zinc/73/00/32/337730032.db2.gz VEKNCQATMDKAHJ-QMTHXVAHSA-N 1 0 313.357 0.888 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000424536208 337853970 /nfs/dbraw/zinc/85/39/70/337853970.db2.gz BDBHSKBNYXPBKP-ZNMIVQPWSA-N 1 0 317.389 0.510 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000425893469 338018530 /nfs/dbraw/zinc/01/85/30/338018530.db2.gz XJYAGYRTUTUNQB-XUXIUFHCSA-N 1 0 309.410 0.293 10 30 DCEERO Cc1noc([C@@H]2CC[C@H](CNC(=[NH2+])N3CCO[C@H](C)C3)O2)n1 ZINC000262434031 534462186 /nfs/dbraw/zinc/46/21/86/534462186.db2.gz FTYPEZZTTCBIAL-JLLWLGSASA-N 1 0 309.370 0.634 10 30 DCEERO Cc1noc([C@@H]2CC[C@H](CNC(=[NH2+])N3CCSCC3)O2)n1 ZINC000262775432 534462983 /nfs/dbraw/zinc/46/29/83/534462983.db2.gz JWZGMNMNVDRDOH-MNOVXSKESA-N 1 0 311.411 0.962 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000425876469 534588204 /nfs/dbraw/zinc/58/82/04/534588204.db2.gz BEOXXJYLAMUTGX-YJNKXOJESA-N 1 0 323.437 0.683 10 30 DCEERO CNC(=O)CNC(NC[C@H](O)c1ccc(Cl)s1)=[NH+]C ZINC000262441106 526347562 /nfs/dbraw/zinc/34/75/62/526347562.db2.gz HNRNIUPSXYTDEJ-ZETCQYMHSA-N 1 0 304.803 0.346 10 30 DCEERO C[NH+]=C(NCC1(CCO)CCCC1)N[C@H]1CCc2ncnn2C1 ZINC000262809170 526350519 /nfs/dbraw/zinc/35/05/19/526350519.db2.gz SYYNKWLJOGJMCE-ZDUSSCGKSA-N 1 0 320.441 0.701 10 30 DCEERO C[NH+]=C(NCCNS(C)(=O)=O)N(C)Cc1ccc(F)cc1 ZINC000172286476 526361138 /nfs/dbraw/zinc/36/11/38/526361138.db2.gz HMTRCFXNGRSHQE-UHFFFAOYSA-N 1 0 316.402 0.382 10 30 DCEERO C[NH+]=C(NCCn1ccnc1)N1CCN(Cc2ccon2)CC1 ZINC000261778277 526367596 /nfs/dbraw/zinc/36/75/96/526367596.db2.gz OYFBYTOQPQODCP-UHFFFAOYSA-N 1 0 317.397 0.264 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCN(Cc2ccon2)CC1 ZINC000261838638 526369726 /nfs/dbraw/zinc/36/97/26/526369726.db2.gz WJCDKWAKDIFZKR-ZFWWWQNUSA-N 1 0 321.425 0.529 10 30 DCEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261736216 526394884 /nfs/dbraw/zinc/39/48/84/526394884.db2.gz KCUXIQOKQISPBZ-BZNIZROVSA-N 1 0 321.425 0.670 10 30 DCEERO C=CCOCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000373320421 526777684 /nfs/dbraw/zinc/77/76/84/526777684.db2.gz XOOSTQKUJCZRMK-JKSUJKDBSA-N 1 0 324.469 0.856 10 30 DCEERO C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000183182959 527193417 /nfs/dbraw/zinc/19/34/17/527193417.db2.gz ANUJSDPBOAUVKC-CQSZACIVSA-N 1 0 305.378 0.740 10 30 DCEERO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCC2(C1)OCCO2 ZINC000262294145 527386138 /nfs/dbraw/zinc/38/61/38/527386138.db2.gz LZVOSNLHTPPVPC-GFCCVEGCSA-N 1 0 312.414 0.314 10 30 DCEERO C=CCC[C@H](O)C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374831505 527490587 /nfs/dbraw/zinc/49/05/87/527490587.db2.gz ZYMSBUPPFYWJEV-ZDUSSCGKSA-N 1 0 302.440 0.813 10 30 DCEERO CCNC(=O)CNC(=[NH+]C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000262026743 528084368 /nfs/dbraw/zinc/08/43/68/528084368.db2.gz WSAATZKLCPIOAT-UHFFFAOYSA-N 1 0 311.430 0.029 10 30 DCEERO CC[NH+]=C(NC[C@H](C)N(C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261977405 528813224 /nfs/dbraw/zinc/81/32/24/528813224.db2.gz NZUYWKSUYXCKNE-LBPRGKRZSA-N 1 0 318.487 0.411 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000314154369 659547181 /nfs/dbraw/zinc/54/71/81/659547181.db2.gz RSDZDAJCWNTCJG-UHFFFAOYSA-N 1 0 310.442 0.211 10 30 DCEERO C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000731127537 664838352 /nfs/dbraw/zinc/83/83/52/664838352.db2.gz GKROJLPCLGFGFV-CQSZACIVSA-N 1 0 315.373 0.848 10 30 DCEERO N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCN1C1CC1 ZINC000732677127 664951546 /nfs/dbraw/zinc/95/15/46/664951546.db2.gz JCIDONJLQTWTQV-OWCLPIDISA-N 1 0 317.437 0.995 10 30 DCEERO C=CCNC(=O)CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000180722569 1185175274 /nfs/dbraw/zinc/17/52/74/1185175274.db2.gz LRCCKUVQDZOIFB-AWEZNQCLSA-N 1 0 308.426 0.852 10 30 DCEERO COc1ccccc1CCNC(=O)C[N+]12CCN(CC1)CC2 ZINC000029224758 717117551 /nfs/dbraw/zinc/11/75/51/717117551.db2.gz APYOOCHSFMTMGJ-UHFFFAOYSA-O 1 0 304.414 0.500 10 30 DCEERO C[NH+](C)CCN1C[C@H](C(=O)N2CCC(C)(C#N)CC2)CC1=O ZINC000357454656 282102625 /nfs/dbraw/zinc/10/26/25/282102625.db2.gz HUSBDYBVCQUFDU-CYBMUJFWSA-N 1 0 306.410 0.549 10 30 DCEERO C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)C[C@H]1N1CCOCC1 ZINC000245527941 238158604 /nfs/dbraw/zinc/15/86/04/238158604.db2.gz DFUFHJOGEYFIQL-HUUCEWRRSA-N 1 0 308.426 0.401 10 30 DCEERO C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000262634694 238177823 /nfs/dbraw/zinc/17/78/23/238177823.db2.gz GMWYHOJOFRTYHH-STQMWFEESA-N 1 0 316.471 0.847 10 30 DCEERO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCC(C#N)CC2)CC1 ZINC000359368784 239060213 /nfs/dbraw/zinc/06/02/13/239060213.db2.gz FRXDNOGBAQGIAA-UHFFFAOYSA-N 1 0 320.437 0.985 10 30 DCEERO CN1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)nc3)[C@H]2C1 ZINC000284864138 131116997 /nfs/dbraw/zinc/11/69/97/131116997.db2.gz DBHVYHPBWGFHPB-UONOGXRCSA-N 1 0 322.390 0.047 10 30 DCEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000247315576 395971315 /nfs/dbraw/zinc/97/13/15/395971315.db2.gz OHGFTZYKJYSYJA-YPMHNXCESA-N 1 0 306.391 0.810 10 30 DCEERO N#Cc1ccc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)cc1Cl ZINC000179178794 396223283 /nfs/dbraw/zinc/22/32/83/396223283.db2.gz WGYANEOGZJOUTI-NEPJUHHUSA-N 1 0 309.753 0.578 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595904302 396680466 /nfs/dbraw/zinc/68/04/66/396680466.db2.gz CKYNIPXGTUODDI-ZDUSSCGKSA-N 1 0 312.414 0.041 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000611640388 396900016 /nfs/dbraw/zinc/90/00/16/396900016.db2.gz HEOTYQZWPCQYOU-OLZOCXBDSA-N 1 0 309.410 0.437 10 30 DCEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000611886016 396943849 /nfs/dbraw/zinc/94/38/49/396943849.db2.gz QGPOAHIDSGJQEL-KKUMJFAQSA-N 1 0 323.437 0.636 10 30 DCEERO C=CC[C@@H]1CCN(CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625702180 396982849 /nfs/dbraw/zinc/98/28/49/396982849.db2.gz ULYYNKGYFIUIKE-KGLIPLIRSA-N 1 0 314.451 0.920 10 30 DCEERO C[C@@H](C(=O)N1CCCC12CC[NH+](C)CC2)n1cnc(C#N)n1 ZINC000619599454 397156535 /nfs/dbraw/zinc/15/65/35/397156535.db2.gz YYVFYDDKTAKAOQ-LBPRGKRZSA-N 1 0 302.382 0.798 10 30 DCEERO C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)n1cnc(C#N)n1 ZINC000619612735 397159610 /nfs/dbraw/zinc/15/96/10/397159610.db2.gz FTIJBJUPCVHIKP-STQMWFEESA-N 1 0 302.382 0.798 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592183207 397114390 /nfs/dbraw/zinc/11/43/90/397114390.db2.gz SMIUJOKHNSMCLD-CYBMUJFWSA-N 1 0 324.425 0.183 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000592179472 397114468 /nfs/dbraw/zinc/11/44/68/397114468.db2.gz ZLEOZDROEDPSAB-AWEZNQCLSA-N 1 0 309.410 0.941 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593079398 397321952 /nfs/dbraw/zinc/32/19/52/397321952.db2.gz GZILOZZGRPGWKP-UHFFFAOYSA-N 1 0 306.370 0.002 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC2)C[C@@H]1C ZINC000614191667 397395960 /nfs/dbraw/zinc/39/59/60/397395960.db2.gz CDBUVNHMEOIIGS-AAEUAGOBSA-N 1 0 322.409 0.235 10 30 DCEERO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC/C(=N/N)[C@@H]3O5 ZINC000027740163 415173034 /nfs/dbraw/zinc/17/30/34/415173034.db2.gz VOFTYIFRRWVMOO-YKKXUTDFSA-N 1 0 315.373 0.491 10 30 DCEERO CC[C@@H](CO)[NH+]1CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000072797589 415414404 /nfs/dbraw/zinc/41/44/04/415414404.db2.gz QWQISSMKGDNYDG-GJZGRUSLSA-N 1 0 310.442 0.383 10 30 DCEERO C#CCOCCC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089962977 415528556 /nfs/dbraw/zinc/52/85/56/415528556.db2.gz OQOTVVRRGHFEEE-SJORKVTESA-N 1 0 316.401 0.778 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105823626 415634162 /nfs/dbraw/zinc/63/41/62/415634162.db2.gz HKNUTQUQEKDJOE-OAGGEKHMSA-N 1 0 309.454 0.962 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000105835794 415636712 /nfs/dbraw/zinc/63/67/12/415636712.db2.gz SKLUTQWRBRAPOP-CYBMUJFWSA-N 1 0 312.414 0.041 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC000343764479 415717121 /nfs/dbraw/zinc/71/71/21/415717121.db2.gz LHYXJRQMZVLXDE-ZFWWWQNUSA-N 1 0 323.437 0.636 10 30 DCEERO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000114856767 415720120 /nfs/dbraw/zinc/72/01/20/415720120.db2.gz FZYADGCHTFZDRK-MRXNPFEDSA-N 1 0 305.422 0.311 10 30 DCEERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CCO1 ZINC000127954651 415891488 /nfs/dbraw/zinc/89/14/88/415891488.db2.gz IWYFJENTYXSZAG-MRXNPFEDSA-N 1 0 317.389 0.920 10 30 DCEERO C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CCC)[NH+](C)C)CC1 ZINC000162021120 416013946 /nfs/dbraw/zinc/01/39/46/416013946.db2.gz STFFEZSEJPWNLA-OAHLLOKOSA-N 1 0 322.453 0.000 10 30 DCEERO CO[C@@H]1C[C@@H](CO)N(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000329102120 416150032 /nfs/dbraw/zinc/15/00/32/416150032.db2.gz ZXSHVRIECMHWHV-QLFBSQMISA-N 1 0 311.426 0.999 10 30 DCEERO CN(C)c1ncc(CN(C)C(=O)NC[C@H]2CCC[N@@H+]2C)cn1 ZINC000329401689 416168843 /nfs/dbraw/zinc/16/88/43/416168843.db2.gz YFMHZVVJIRYVFG-CYBMUJFWSA-N 1 0 306.414 0.983 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000341545321 416212889 /nfs/dbraw/zinc/21/28/89/416212889.db2.gz JNIJCMGIAUMXHK-CQSZACIVSA-N 1 0 311.426 0.638 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418828365 416390814 /nfs/dbraw/zinc/39/08/14/416390814.db2.gz MKSPHSPJRBZOHE-KBXIAJHMSA-N 1 0 321.421 0.437 10 30 DCEERO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000615104713 416761183 /nfs/dbraw/zinc/76/11/83/416761183.db2.gz OFERZWIEFXMYAK-GFCCVEGCSA-N 1 0 320.397 0.391 10 30 DCEERO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC12COC2 ZINC000451137839 417305469 /nfs/dbraw/zinc/30/54/69/417305469.db2.gz PQKYKPQSMOVECG-OLZOCXBDSA-N 1 0 323.393 0.258 10 30 DCEERO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C(=O)OCC)C3(COC3)C2)C1=O ZINC000451141284 417306388 /nfs/dbraw/zinc/30/63/88/417306388.db2.gz VDDZUELOJYZFGG-STQMWFEESA-N 1 0 308.378 0.285 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627270631 417320794 /nfs/dbraw/zinc/32/07/94/417320794.db2.gz KIBPNCFZZZFXBZ-KKUMJFAQSA-N 1 0 309.410 0.125 10 30 DCEERO CC[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262460020 273578130 /nfs/dbraw/zinc/57/81/30/273578130.db2.gz MEWINXZGJIGKNI-DZGCQCFKSA-N 1 0 321.425 0.590 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCCN2CCc3ccccc3C2=O)CCO1 ZINC000262484476 274321768 /nfs/dbraw/zinc/32/17/68/274321768.db2.gz SGMCEIPHMMMKNU-CYBMUJFWSA-N 1 0 316.405 0.720 10 30 DCEERO CNC(=O)CNC(N[C@@H]1CCc2cn(C(C)C)nc2C1)=[NH+]C ZINC000262008444 275409676 /nfs/dbraw/zinc/40/96/76/275409676.db2.gz WCFSGQDAZMMHCH-GFCCVEGCSA-N 1 0 306.414 0.232 10 30 DCEERO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@H]1C ZINC000329241353 276244362 /nfs/dbraw/zinc/24/43/62/276244362.db2.gz RPJIVHQFLGGFEX-ZOBORPQBSA-N 1 0 322.413 0.547 10 30 DCEERO CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000329116056 277307061 /nfs/dbraw/zinc/30/70/61/277307061.db2.gz IKFWLHFDFJQZFJ-TUAOUCFPSA-N 1 0 308.386 0.575 10 30 DCEERO C[NH+]=C(NCC1(O)CCCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261675892 277749598 /nfs/dbraw/zinc/74/95/98/277749598.db2.gz CNVJNRJDPQNFDM-HNNXBMFYSA-N 1 0 308.426 0.469 10 30 DCEERO C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)n1cnc(C#N)n1 ZINC000546255955 288017629 /nfs/dbraw/zinc/01/76/29/288017629.db2.gz XTFOSMAEBXDTIS-FRRDWIJNSA-N 1 0 302.382 0.653 10 30 DCEERO CC[NH+]=C(NCCn1cc(C)cn1)N1CCN(C2CC2)C(=O)C1 ZINC000262803550 278167566 /nfs/dbraw/zinc/16/75/66/278167566.db2.gz RLGZXTSOKNDQJA-UHFFFAOYSA-N 1 0 318.425 0.464 10 30 DCEERO CC[C@H](O)C[NH+]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000118856373 288110670 /nfs/dbraw/zinc/11/06/70/288110670.db2.gz USVKQAWRXDOZMC-GOEBONIOSA-N 1 0 310.442 0.429 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000372589398 289238620 /nfs/dbraw/zinc/23/86/20/289238620.db2.gz UANACQUFQLBPSA-HZSPNIEDSA-N 1 0 314.455 0.881 10 30 DCEERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(Cc3noc(C)n3)nn2)C1 ZINC000329873225 336091188 /nfs/dbraw/zinc/09/11/88/336091188.db2.gz DRJJAUKPGTWZHG-LLVKDONJSA-N 1 0 319.369 0.807 10 30 DCEERO CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)CC[NH+]1CCCC1 ZINC000330132062 336116356 /nfs/dbraw/zinc/11/63/56/336116356.db2.gz FXNYYWAMXSNXRN-NEPJUHHUSA-N 1 0 303.428 0.757 10 30 DCEERO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420118451 337495862 /nfs/dbraw/zinc/49/58/62/337495862.db2.gz MOFNAPQJGZRIRN-UKRRQHHQSA-N 1 0 319.405 0.951 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000425881784 338018189 /nfs/dbraw/zinc/01/81/89/338018189.db2.gz CZKTXBZYQSPHGA-ABHRYQDASA-N 1 0 321.421 0.435 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC000262688769 533788232 /nfs/dbraw/zinc/78/82/32/533788232.db2.gz ZPFSHCFIEBNVAA-WDEREUQCSA-N 1 0 324.347 0.285 10 30 DCEERO C[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1CCO ZINC000187691589 533923476 /nfs/dbraw/zinc/92/34/76/533923476.db2.gz AWUQXAFSSJIVHN-AWEZNQCLSA-N 1 0 316.405 0.885 10 30 DCEERO C=CCn1cc(CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)nn1 ZINC000425875027 534459272 /nfs/dbraw/zinc/45/92/72/534459272.db2.gz LZPJTBQVJBPWDH-AWEZNQCLSA-N 1 0 322.413 0.110 10 30 DCEERO NC(=O)c1cnn2c1C[C@@H](CNC(=[NH2+])NC1CCCC1)CC2 ZINC000261945471 534512584 /nfs/dbraw/zinc/51/25/84/534512584.db2.gz OJDPNMDVJVNZJA-JTQLQIEISA-N 1 0 304.398 0.391 10 30 DCEERO C[NH+]=C(NCCC1CCOCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261712969 526355082 /nfs/dbraw/zinc/35/50/82/526355082.db2.gz HMDPZFUQKPXJOX-QGZVFWFLSA-N 1 0 322.453 0.981 10 30 DCEERO C[NH+]=C(NCCN1CCC1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261661130 526356977 /nfs/dbraw/zinc/35/69/77/526356977.db2.gz ARORIBSIHQBOHG-AWEZNQCLSA-N 1 0 303.410 0.816 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261826409 526369902 /nfs/dbraw/zinc/36/99/02/526369902.db2.gz UXEVLXAYCWOELU-PMPSAXMXSA-N 1 0 324.469 0.377 10 30 DCEERO C[NH+]=C(NCc1ccccn1)N1CC[C@H](N2CCOCC2)C1 ZINC000262429986 526385431 /nfs/dbraw/zinc/38/54/31/526385431.db2.gz DVRGGVJCYYLOAD-HNNXBMFYSA-N 1 0 303.410 0.564 10 30 DCEERO C[NH+]=C(NCc1ccn(C)c1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261770793 526386586 /nfs/dbraw/zinc/38/65/86/526386586.db2.gz OCJZKWBISASFNC-MRXNPFEDSA-N 1 0 303.410 0.703 10 30 DCEERO C[NH+]=C(NCc1nccs1)N1CC[C@@H](N2CCOCC2)C1 ZINC000175520408 526390832 /nfs/dbraw/zinc/39/08/32/526390832.db2.gz MYIOVTMCVPBXCO-GFCCVEGCSA-N 1 0 309.439 0.625 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC(NC(=O)COC)C2)CC1 ZINC000185384230 526585485 /nfs/dbraw/zinc/58/54/85/526585485.db2.gz AHWLDANRXVNHQU-UHFFFAOYSA-N 1 0 324.425 0.183 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000366140359 526587038 /nfs/dbraw/zinc/58/70/38/526587038.db2.gz LAZAAAPHBODYSJ-QGZVFWFLSA-N 1 0 320.437 0.949 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374211115 526600447 /nfs/dbraw/zinc/60/04/47/526600447.db2.gz JATZWZLODLKOOK-LLVKDONJSA-N 1 0 305.382 0.989 10 30 DCEERO C=C(Cl)CNC(NC1CCN(C(=O)COC)CC1)=[NH+]C ZINC000262548518 526885245 /nfs/dbraw/zinc/88/52/45/526885245.db2.gz SQFBEIMBCUEYGE-UHFFFAOYSA-N 1 0 302.806 0.541 10 30 DCEERO C#CCOCCC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000132999615 527061639 /nfs/dbraw/zinc/06/16/39/527061639.db2.gz ZSMAJBJSSCRMDK-UHFFFAOYSA-N 1 0 318.421 0.846 10 30 DCEERO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364945226 527201458 /nfs/dbraw/zinc/20/14/58/527201458.db2.gz PVYCGXBXIOWETM-UONOGXRCSA-N 1 0 310.442 0.391 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000127151234 545775016 /nfs/dbraw/zinc/77/50/16/545775016.db2.gz RTCCTIVMIQTALX-UHFFFAOYSA-N 1 0 307.398 0.808 10 30 DCEERO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000262381714 662359455 /nfs/dbraw/zinc/35/94/55/662359455.db2.gz KMUHNGQIFAWVHG-DGCLKSJQSA-N 1 0 316.471 0.941 10 30 DCEERO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000732703928 664954104 /nfs/dbraw/zinc/95/41/04/664954104.db2.gz NWAILFRWZMOYEP-HIFRSBDPSA-N 1 0 305.426 0.710 10 30 DCEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)CN(C)S(C)(=O)=O ZINC000121692198 667471522 /nfs/dbraw/zinc/47/15/22/667471522.db2.gz QPGCARYCJBSDDT-LBPRGKRZSA-N 1 0 304.412 0.155 10 30 DCEERO [NH2+]=C(NCc1ccc(CN2CCOCC2)cc1)N1CCOCC1 ZINC000303790586 685206976 /nfs/dbraw/zinc/20/69/76/685206976.db2.gz WMZJOVWFFIILJM-UHFFFAOYSA-N 1 0 318.421 0.666 10 30 DCEERO CCc1nc(CNC(N[C@H]2CCc3ncnn3C2)=[NH+]C)cs1 ZINC000152027170 529735535 /nfs/dbraw/zinc/73/55/35/529735535.db2.gz FRTQLKGLGGOCDZ-JTQLQIEISA-N 1 0 319.438 0.977 10 30 DCEERO CN1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@@H]1C#N ZINC000333676161 530068586 /nfs/dbraw/zinc/06/85/86/530068586.db2.gz OOPBWPGFMZDHCK-HNNXBMFYSA-N 1 0 305.426 0.852 10 30 DCEERO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(C#N)cn2C)CC1 ZINC000081758505 192319877 /nfs/dbraw/zinc/31/98/77/192319877.db2.gz ZCYDJDYIZSEPTK-CQSZACIVSA-N 1 0 317.437 0.900 10 30 DCEERO [NH2+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NC1CC1 ZINC000262115040 238171038 /nfs/dbraw/zinc/17/10/38/238171038.db2.gz ICVCTRPSQFVRIV-UHFFFAOYSA-N 1 0 310.370 0.318 10 30 DCEERO C[C@H](C(=O)N1CCN(C(=O)CC#N)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000408063539 239261744 /nfs/dbraw/zinc/26/17/44/239261744.db2.gz JEKHGENQLVDOMV-MGPQQGTHSA-N 1 0 306.410 0.832 10 30 DCEERO C=CCC[C@@H](O)C[NH2+]C1(CC(=O)OC)CCS(=O)(=O)CC1 ZINC000439266870 240472141 /nfs/dbraw/zinc/47/21/41/240472141.db2.gz CNXXJUMINYKLCZ-GFCCVEGCSA-N 1 0 319.423 0.414 10 30 DCEERO C[N+](C)=C1S[C@H]2CS(=O)(=O)C[C@@]2(Br)S1 ZINC000039422929 183018941 /nfs/dbraw/zinc/01/89/41/183018941.db2.gz FTZNZOHSKMPERR-CAHLUQPWSA-N 1 0 317.275 0.983 10 30 DCEERO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000574353396 291690073 /nfs/dbraw/zinc/69/00/73/291690073.db2.gz DUQXNTZJCWUWPM-UHFFFAOYSA-N 1 0 314.389 0.857 10 30 DCEERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccccc1C#N ZINC000105932800 194173500 /nfs/dbraw/zinc/17/35/00/194173500.db2.gz HFKZAHYYUVNFHH-TZMCWYRMSA-N 1 0 302.378 0.805 10 30 DCEERO CO[C@@H]1COC[C@H]1n1cc(CNC(=[NH2+])NC2CCCCC2)nn1 ZINC000262276967 533524330 /nfs/dbraw/zinc/52/43/30/533524330.db2.gz ICXZRVVQCRHFQU-ZIAGYGMSSA-N 1 0 322.413 0.601 10 30 DCEERO CC[C@@H]1CN([C@@H](C)C(=O)N(C)CCC#N)CC[N@@H+]1C[C@@H](C)O ZINC000105826459 395780948 /nfs/dbraw/zinc/78/09/48/395780948.db2.gz TUNQHENOMZXICW-QLFBSQMISA-N 1 0 310.442 0.524 10 30 DCEERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CCO1 ZINC000116901109 395849469 /nfs/dbraw/zinc/84/94/69/395849469.db2.gz YTFBFVUYXAENCN-OAHLLOKOSA-N 1 0 323.418 0.650 10 30 DCEERO CN1CCO[C@H](C[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246418886 395949699 /nfs/dbraw/zinc/94/96/99/395949699.db2.gz KLIMUCYGNVPTJA-OLZOCXBDSA-N 1 0 320.418 0.645 10 30 DCEERO C[NH+](C)[C@H]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000170860129 396099530 /nfs/dbraw/zinc/09/95/30/396099530.db2.gz ZNOFYMQMQFOFTI-AWEZNQCLSA-N 1 0 300.362 0.451 10 30 DCEERO N#Cc1ccccc1OCC[N@H+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000585803720 396659447 /nfs/dbraw/zinc/65/94/47/396659447.db2.gz XKFXIVMASRVQNH-INIZCTEOSA-N 1 0 313.361 0.666 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCCCO)CC1 ZINC000610682761 396748385 /nfs/dbraw/zinc/74/83/85/396748385.db2.gz BAEUNFWLXOSDQB-LBPRGKRZSA-N 1 0 313.398 0.250 10 30 DCEERO C=CCn1c(COCCOC)nnc1N1CC[NH+](CC)CC1 ZINC000634339840 396843655 /nfs/dbraw/zinc/84/36/55/396843655.db2.gz SIDOXVBRBIGJTG-UHFFFAOYSA-N 1 0 309.414 0.769 10 30 DCEERO C=CCn1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)nn1 ZINC000566146143 396917177 /nfs/dbraw/zinc/91/71/77/396917177.db2.gz XGNNHUZPJDLTTJ-CQSZACIVSA-N 1 0 304.398 0.842 10 30 DCEERO Cc1cc(C#N)nc(N2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000376396637 396923012 /nfs/dbraw/zinc/92/30/12/396923012.db2.gz PGWJIFORPSWALG-UHFFFAOYSA-N 1 0 317.393 0.320 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000612004105 396979241 /nfs/dbraw/zinc/97/92/41/396979241.db2.gz SFCINDGHROXTAV-ZNMIVQPWSA-N 1 0 323.437 0.636 10 30 DCEERO C[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)n1cnc(C#N)n1 ZINC000619613868 397159556 /nfs/dbraw/zinc/15/95/56/397159556.db2.gz KWLDNLFOCPHXGR-OCCSQVGLSA-N 1 0 316.409 0.901 10 30 DCEERO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)n1cnc(C#N)n1 ZINC000619612765 397159685 /nfs/dbraw/zinc/15/96/85/397159685.db2.gz VAKQYPMEXJBWPC-QWHCGFSZSA-N 1 0 302.382 0.798 10 30 DCEERO C[C@H](C(=O)NCC1CC[NH+](C2CC2)CC1)n1cnc(C#N)n1 ZINC000619617332 397160660 /nfs/dbraw/zinc/16/06/60/397160660.db2.gz CXUJIFPVTSQRCH-LLVKDONJSA-N 1 0 302.382 0.701 10 30 DCEERO N#Cc1nc(N2CCN(CC(N)=O)CC2)ccc1C(F)(F)F ZINC000619694405 397175834 /nfs/dbraw/zinc/17/58/34/397175834.db2.gz HMZARISDMPNXRV-UHFFFAOYSA-N 1 0 313.283 0.579 10 30 DCEERO C=C[C@@H](C(=O)OC)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000619719879 397183822 /nfs/dbraw/zinc/18/38/22/397183822.db2.gz JWLAGKGLQVLSAA-QXULXFAOSA-N 1 0 307.438 0.957 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593729500 397433714 /nfs/dbraw/zinc/43/37/14/397433714.db2.gz GJLCKLHNMPKROE-BFHYXJOUSA-N 1 0 324.425 0.359 10 30 DCEERO C=CCC1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCOCC1 ZINC000614512774 397457488 /nfs/dbraw/zinc/45/74/88/397457488.db2.gz CGIUGPCLNKPPQT-HNNXBMFYSA-N 1 0 307.438 0.865 10 30 DCEERO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000075959896 415450901 /nfs/dbraw/zinc/45/09/01/415450901.db2.gz ZCRWIDXXINRAAT-CVEARBPZSA-N 1 0 309.454 0.964 10 30 DCEERO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000278980222 415512880 /nfs/dbraw/zinc/51/28/80/415512880.db2.gz YYKVLJIYTMBPLY-QAPCUYQASA-N 1 0 324.384 0.876 10 30 DCEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869515 415636395 /nfs/dbraw/zinc/63/63/95/415636395.db2.gz YLVAQAUZAFQQNZ-CQSZACIVSA-N 1 0 305.426 0.619 10 30 DCEERO C=CCNC(=O)[C@H](C)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109755844 415681937 /nfs/dbraw/zinc/68/19/37/415681937.db2.gz NAKDMQPABVFHOQ-HOTGVXAUSA-N 1 0 308.470 0.779 10 30 DCEERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000118858705 415735118 /nfs/dbraw/zinc/73/51/18/415735118.db2.gz KDALJCPQROAXRM-ZBFHGGJFSA-N 1 0 308.426 0.183 10 30 DCEERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000155345198 415996385 /nfs/dbraw/zinc/99/63/85/415996385.db2.gz YIIFEFDBZBVABX-HNNXBMFYSA-N 1 0 302.378 0.759 10 30 DCEERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)N(C)CC(=O)NC1CC1 ZINC000329104927 416149025 /nfs/dbraw/zinc/14/90/25/416149025.db2.gz CTLXRZUVQNTIJS-JQWIXIFHSA-N 1 0 320.397 0.148 10 30 DCEERO CN(C)c1ncc(CN(C)C(=O)NC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000329401691 416168569 /nfs/dbraw/zinc/16/85/69/416168569.db2.gz YFMHZVVJIRYVFG-ZDUSSCGKSA-N 1 0 306.414 0.983 10 30 DCEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN1CCNC(=O)C1 ZINC000329715779 416187898 /nfs/dbraw/zinc/18/78/98/416187898.db2.gz VNASGYBCWXTBFC-OLZOCXBDSA-N 1 0 309.414 0.341 10 30 DCEERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]12 ZINC000186008293 416254897 /nfs/dbraw/zinc/25/48/97/416254897.db2.gz SGRIUNRUIWKPLH-FRRDWIJNSA-N 1 0 322.409 0.861 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195517643 416326605 /nfs/dbraw/zinc/32/66/05/416326605.db2.gz HUYHLIFZEMBTTA-LBPRGKRZSA-N 1 0 321.381 0.644 10 30 DCEERO C=CCn1cc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)nn1 ZINC000583989317 416490826 /nfs/dbraw/zinc/49/08/26/416490826.db2.gz WITQEJJQNYKHJM-JTQLQIEISA-N 1 0 300.313 0.261 10 30 DCEERO C=CCCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000448388952 417074547 /nfs/dbraw/zinc/07/45/47/417074547.db2.gz QMQMSEQSTARGRT-CQSZACIVSA-N 1 0 308.426 0.901 10 30 DCEERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408060910 417138641 /nfs/dbraw/zinc/13/86/41/417138641.db2.gz KEYRRTWWERBHQV-OLZOCXBDSA-N 1 0 306.410 0.915 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621847665 417323044 /nfs/dbraw/zinc/32/30/44/417323044.db2.gz HPMSIFSZZQCZDR-ZWUHOBOKSA-N 1 0 307.394 0.034 10 30 DCEERO CC#CCCNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415143694 417335159 /nfs/dbraw/zinc/33/51/59/417335159.db2.gz BGXIMJQVFPTXSX-UHFFFAOYSA-N 1 0 303.337 0.940 10 30 DCEERO CC[NH+]1CCN(CCNC(=O)Cc2cccc(C#N)c2)CC1 ZINC000530915729 417595110 /nfs/dbraw/zinc/59/51/10/417595110.db2.gz XDNIHSFQTWSBDR-UHFFFAOYSA-N 1 0 300.406 0.854 10 30 DCEERO C[NH+](C)CC(=O)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000531386816 267278790 /nfs/dbraw/zinc/27/87/90/267278790.db2.gz UTDKCGBZPZWZJI-UHFFFAOYSA-N 1 0 314.389 0.333 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCC(=O)N2CCc3ccccc3C2)CCO1 ZINC000262443683 278627409 /nfs/dbraw/zinc/62/74/09/278627409.db2.gz IESOGNXURPFYOM-CYBMUJFWSA-N 1 0 316.405 0.607 10 30 DCEERO N#Cc1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000158948715 279526733 /nfs/dbraw/zinc/52/67/33/279526733.db2.gz OTFJNNSVQDFJAP-ZDUSSCGKSA-N 1 0 324.406 0.078 10 30 DCEERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000118858709 280207040 /nfs/dbraw/zinc/20/70/40/280207040.db2.gz KDALJCPQROAXRM-GDBMZVCRSA-N 1 0 308.426 0.183 10 30 DCEERO C=CCCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000448029312 332202023 /nfs/dbraw/zinc/20/20/23/332202023.db2.gz GSKSWYTUKNEHNA-UHFFFAOYSA-N 1 0 308.426 0.902 10 30 DCEERO C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000560456500 332340666 /nfs/dbraw/zinc/34/06/66/332340666.db2.gz NBTMGWKBIRQJTA-HIFRSBDPSA-N 1 0 316.405 0.907 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000425887357 334318253 /nfs/dbraw/zinc/31/82/53/334318253.db2.gz RMMGMIPPPXKRLB-GJZGRUSLSA-N 1 0 323.437 0.542 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000424551609 337859086 /nfs/dbraw/zinc/85/90/86/337859086.db2.gz WJFNKAKIIKFICV-RQJABVFESA-N 1 0 309.410 0.280 10 30 DCEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000516273960 338009324 /nfs/dbraw/zinc/00/93/24/338009324.db2.gz HGJFIUOWXCXXGU-HOTGVXAUSA-N 1 0 317.437 0.909 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCC[S@](=O)Cc2ccccc2)CCO1 ZINC000262432881 533787568 /nfs/dbraw/zinc/78/75/68/533787568.db2.gz FQYDKRDEKZOUMA-ZSEKCTLFSA-N 1 0 309.435 0.971 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NC[C@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC000262688767 534271395 /nfs/dbraw/zinc/27/13/95/534271395.db2.gz ZPFSHCFIEBNVAA-MNOVXSKESA-N 1 0 324.347 0.285 10 30 DCEERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000155252023 521883182 /nfs/dbraw/zinc/88/31/82/521883182.db2.gz BKUQAIOJOCHKSE-HNNXBMFYSA-N 1 0 302.378 0.759 10 30 DCEERO C[NH+]=C(NCC(=O)N(C)C)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000261761552 526346394 /nfs/dbraw/zinc/34/63/94/526346394.db2.gz OJHBSQLWJKAYSB-NSHDSACASA-N 1 0 312.414 0.314 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000262789190 526370515 /nfs/dbraw/zinc/37/05/15/526370515.db2.gz NJYAIWURVQHKGC-BARDWOONSA-N 1 0 324.469 0.959 10 30 DCEERO C[NH+]=C(NCc1cc(C)no1)N1CC[C@@H](N2CCOCC2)C1 ZINC000175526861 526380659 /nfs/dbraw/zinc/38/06/59/526380659.db2.gz JVLDGKPXKMQODZ-CYBMUJFWSA-N 1 0 307.398 0.465 10 30 DCEERO CNC(=O)CNC(N[C@H]1CCN(C(=O)C2CCCCC2)C1)=[NH+]C ZINC000261972190 526412653 /nfs/dbraw/zinc/41/26/53/526412653.db2.gz NCXDXZFRXICTOR-ZDUSSCGKSA-N 1 0 323.441 0.079 10 30 DCEERO C=CCNC(=O)CN1CCC[C@H]([N@H+](C)CC(=O)NCC=C)CC1 ZINC000156971165 526526288 /nfs/dbraw/zinc/52/62/88/526526288.db2.gz SJUYYXLLAFVOOB-HNNXBMFYSA-N 1 0 322.453 0.377 10 30 DCEERO C=CCNC(=O)[C@H](C)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361517358 526634372 /nfs/dbraw/zinc/63/43/72/526634372.db2.gz CGDUYPNMTAXCOB-ZDUSSCGKSA-N 1 0 304.394 0.903 10 30 DCEERO C=CCOCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000364745336 526776104 /nfs/dbraw/zinc/77/61/04/526776104.db2.gz DIIWHZHTYWLMOJ-CQSZACIVSA-N 1 0 324.425 0.137 10 30 DCEERO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000247046032 527017135 /nfs/dbraw/zinc/01/71/35/527017135.db2.gz FAJJNIOBGYTVRD-IUODEOHRSA-N 1 0 303.410 0.745 10 30 DCEERO C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275911173 527086008 /nfs/dbraw/zinc/08/60/08/527086008.db2.gz VLYXMPJYFLTTRX-AWEZNQCLSA-N 1 0 319.405 0.782 10 30 DCEERO CC[NH+]=C(NCCN1C(=O)CNC1=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261650112 528805296 /nfs/dbraw/zinc/80/52/96/528805296.db2.gz FBHVKLOICYHZIY-BETUJISGSA-N 1 0 321.425 0.626 10 30 DCEERO CC[NH+]=C(NCCn1ccnc1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261737937 528808369 /nfs/dbraw/zinc/80/83/69/528808369.db2.gz KGWAEGHNWXSCQF-MRXNPFEDSA-N 1 0 318.425 0.451 10 30 DCEERO CC[NH+]=C(NC[C@](C)(O)CC)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261715189 528814889 /nfs/dbraw/zinc/81/48/89/528814889.db2.gz HSACPAODNSEOND-CVEARBPZSA-N 1 0 310.442 0.715 10 30 DCEERO COc1ccc(CNC(=[NH2+])NCCCn2ccnn2)cc1OC ZINC000181492449 665599629 /nfs/dbraw/zinc/59/96/29/665599629.db2.gz ZTHCKGFQLQNMEL-UHFFFAOYSA-N 1 0 318.381 0.790 10 30 DCEERO C[NH+]=C(NCC(C)(C)N(C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261982541 661941654 /nfs/dbraw/zinc/94/16/54/661941654.db2.gz PESCOYDZRDAXGX-UHFFFAOYSA-N 1 0 318.487 0.411 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCC(=O)N(C)Cc2ccccc2)CCO1 ZINC000262436317 662385683 /nfs/dbraw/zinc/38/56/83/662385683.db2.gz GJGIIYHDFMZPRN-ZDUSSCGKSA-N 1 0 304.394 0.680 10 30 DCEERO C=C(Br)CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185672112 666543734 /nfs/dbraw/zinc/54/37/34/666543734.db2.gz QVEASLCLLPANAD-GHMZBOCLSA-N 1 0 320.231 0.992 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C(=O)OCC)C2)CC1 ZINC000741228079 667763197 /nfs/dbraw/zinc/76/31/97/667763197.db2.gz GKBVEQBHDUANEM-CQSZACIVSA-N 1 0 308.378 0.122 10 30 DCEERO NC(=O)[C@H](CNC(=[NH2+])N1CCOCC1)Cc1ccc(F)cc1 ZINC000303888761 685208415 /nfs/dbraw/zinc/20/84/15/685208415.db2.gz PCVRETLDMOBPDG-LBPRGKRZSA-N 1 0 308.357 0.117 10 30 DCEERO Cc1cccc(OCCNC(=O)C[N+]23CCN(CC2)CC3)c1 ZINC000073680759 717134742 /nfs/dbraw/zinc/13/47/42/717134742.db2.gz UHBOIGBMXBIHKY-UHFFFAOYSA-O 1 0 304.414 0.636 10 30 DCEERO CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000709407636 939714032 /nfs/dbraw/zinc/71/40/32/939714032.db2.gz UMZGIKKEZXFQRX-NEPJUHHUSA-N 1 0 301.412 0.433 10 30 DCEERO CCc1nc2n(n1)C[C@@H](NC(NCc1cccn1C)=[NH+]C)CC2 ZINC000262812460 529750825 /nfs/dbraw/zinc/75/08/25/529750825.db2.gz VOKMCQCXRYZXPZ-LBPRGKRZSA-N 1 0 315.425 0.859 10 30 DCEERO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)CC(C)(C)CC#N)[C@@H]2C1 ZINC000408461752 529798792 /nfs/dbraw/zinc/79/87/92/529798792.db2.gz WMIHFEALKIEDMC-OLZOCXBDSA-N 1 0 315.439 0.661 10 30 DCEERO COCC[N@H+](C)CCCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369221087 239166130 /nfs/dbraw/zinc/16/61/30/239166130.db2.gz VWCQBVWAGGAKOQ-OAHLLOKOSA-N 1 0 323.441 0.336 10 30 DCEERO C#CCNC(=O)CC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000271620274 209066544 /nfs/dbraw/zinc/06/65/44/209066544.db2.gz BOMXGQUIADOXDI-NSHDSACASA-N 1 0 309.391 0.124 10 30 DCEERO CC(C)NC(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000028263760 395695893 /nfs/dbraw/zinc/69/58/93/395695893.db2.gz YZVYKRSPYVRHBU-CQSZACIVSA-N 1 0 320.393 0.595 10 30 DCEERO CC[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000105825701 395781038 /nfs/dbraw/zinc/78/10/38/395781038.db2.gz BQQZBJVBICIIFG-INMHGKMJSA-N 1 0 324.469 0.818 10 30 DCEERO COC(=O)[C@@H](NC[C@@H]1CN(C)CCO1)c1cccc(C#N)c1 ZINC000176788679 396160514 /nfs/dbraw/zinc/16/05/14/396160514.db2.gz ZVPVDOHYNXIJQH-CABCVRRESA-N 1 0 303.362 0.693 10 30 DCEERO COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000185588270 396330443 /nfs/dbraw/zinc/33/04/43/396330443.db2.gz DBCJZYNEIOVIFQ-GFCCVEGCSA-N 1 0 309.391 0.891 10 30 DCEERO N#Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccn1 ZINC000193455414 396451217 /nfs/dbraw/zinc/45/12/17/396451217.db2.gz ORYLMUKHRQAKBV-CYBMUJFWSA-N 1 0 300.362 0.748 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595603933 396637439 /nfs/dbraw/zinc/63/74/39/396637439.db2.gz ACYLZHRXQFDYLJ-NEPJUHHUSA-N 1 0 306.370 0.000 10 30 DCEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCOCCF)c1 ZINC000596068971 396714326 /nfs/dbraw/zinc/71/43/26/396714326.db2.gz CDDRIHSSJYEPOU-UHFFFAOYSA-N 1 0 300.355 0.908 10 30 DCEERO C[C@@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619598024 397155308 /nfs/dbraw/zinc/15/53/08/397155308.db2.gz ARNLJYHATGYZNB-JSGCOSHPSA-N 1 0 316.409 0.901 10 30 DCEERO C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)n1cnc(C#N)n1 ZINC000619610358 397158133 /nfs/dbraw/zinc/15/81/33/397158133.db2.gz MSRRXAAAZXICPK-LBPRGKRZSA-N 1 0 311.349 0.455 10 30 DCEERO C[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)n1cnc(C#N)n1 ZINC000619613867 397159748 /nfs/dbraw/zinc/15/97/48/397159748.db2.gz KWLDNLFOCPHXGR-JSGCOSHPSA-N 1 0 316.409 0.901 10 30 DCEERO Cc1ncc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)cc1C#N ZINC000383559088 397278359 /nfs/dbraw/zinc/27/83/59/397278359.db2.gz SGRPLZURFZNYGS-JTQLQIEISA-N 1 0 304.322 0.523 10 30 DCEERO C=CCn1cc(CNC(=O)c2ccc(C[NH+](C)C)nc2)nn1 ZINC000424910364 397402904 /nfs/dbraw/zinc/40/29/04/397402904.db2.gz ZDNSTVNFRYWYAT-UHFFFAOYSA-N 1 0 300.366 0.851 10 30 DCEERO CC[C@@H]1CN(CC(=O)N[C@](C)(C#N)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000247003129 287188126 /nfs/dbraw/zinc/18/81/26/287188126.db2.gz BQQZBJVBICIIFG-BFYDXBDKSA-N 1 0 324.469 0.818 10 30 DCEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N(C)C[C@H](C)C#N ZINC000372587711 287230270 /nfs/dbraw/zinc/23/02/70/287230270.db2.gz RIGNXFNBUFJSSF-MCIONIFRSA-N 1 0 314.455 0.881 10 30 DCEERO C=CCSCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000286523786 415630838 /nfs/dbraw/zinc/63/08/38/415630838.db2.gz PKWKVKYCHJJXAD-QWHCGFSZSA-N 1 0 313.467 0.963 10 30 DCEERO C#CCNC(=O)[C@H](C)N1CCCN(Cc2noc(C)n2)CC1 ZINC000105866884 415634673 /nfs/dbraw/zinc/63/46/73/415634673.db2.gz NQMXNCGQQVOWGQ-LBPRGKRZSA-N 1 0 305.382 0.024 10 30 DCEERO C=CCN1CC[C@H](N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000337197432 415926128 /nfs/dbraw/zinc/92/61/28/415926128.db2.gz XEHKGVUMXQYDBV-IRXDYDNUSA-N 1 0 320.481 0.875 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000355466231 415861838 /nfs/dbraw/zinc/86/18/38/415861838.db2.gz DBCCSGGARJSXJC-AWEZNQCLSA-N 1 0 324.469 0.600 10 30 DCEERO C=CCNC(=O)CN1CC[NH+](CCCCn2ccnc2C)CC1 ZINC000163322963 416015504 /nfs/dbraw/zinc/01/55/04/416015504.db2.gz AAOBQTUUWZMJAQ-UHFFFAOYSA-N 1 0 319.453 0.892 10 30 DCEERO CN(CC1CC[NH+](C)CC1)C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329229338 416156896 /nfs/dbraw/zinc/15/68/96/416156896.db2.gz JGSXIKAMHGSZGO-UONOGXRCSA-N 1 0 322.413 0.406 10 30 DCEERO CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCCNC3=O)C[C@H]21 ZINC000328845161 416135968 /nfs/dbraw/zinc/13/59/68/416135968.db2.gz ABHXKOLAKOMQFQ-JHJVBQTASA-N 1 0 310.398 0.814 10 30 DCEERO CO[C@@H]1C[C@@H](CO)N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329091991 416149626 /nfs/dbraw/zinc/14/96/26/416149626.db2.gz WZSKDVYAQGNTLY-OLMTUDMXSA-N 1 0 311.426 0.997 10 30 DCEERO N#Cc1ccc2ncc(C[NH2+]CCNC(=O)c3ccn[nH]3)n2c1 ZINC000181143327 416204549 /nfs/dbraw/zinc/20/45/49/416204549.db2.gz AJANPRRMPIYHRM-UHFFFAOYSA-N 1 0 309.333 0.449 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CC(=O)NCC ZINC000342032007 416270985 /nfs/dbraw/zinc/27/09/85/416270985.db2.gz MFSGVQNXWLHNNN-LBPRGKRZSA-N 1 0 310.398 0.379 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000424549608 416662856 /nfs/dbraw/zinc/66/28/56/416662856.db2.gz RTVUGTMYHNDWSX-IHRRRGAJSA-N 1 0 309.410 0.294 10 30 DCEERO C=CCn1cc(CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)nn1 ZINC000516647132 416731431 /nfs/dbraw/zinc/73/14/31/416731431.db2.gz JNKZPLQDIQHMAW-STQMWFEESA-N 1 0 322.413 0.061 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000567728671 417066722 /nfs/dbraw/zinc/06/67/22/417066722.db2.gz RXNVRBSLPARDCR-KKUMJFAQSA-N 1 0 310.442 0.513 10 30 DCEERO C=CC[C@@H](CC)NC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000568773344 417176909 /nfs/dbraw/zinc/17/69/09/417176909.db2.gz SZADCQCZSBMFRD-CYBMUJFWSA-N 1 0 311.426 0.684 10 30 DCEERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1cccc(C#N)c1 ZINC000530680360 417588571 /nfs/dbraw/zinc/58/85/71/417588571.db2.gz STFKGGYJYZSDKD-AWEZNQCLSA-N 1 0 300.406 0.853 10 30 DCEERO C[C@@H](C(=O)Nc1ccnn1CC[NH+](C)C)n1cnc(C#N)n1 ZINC000359501194 271122061 /nfs/dbraw/zinc/12/20/61/271122061.db2.gz QVBXATRNYCHARE-JTQLQIEISA-N 1 0 302.342 0.108 10 30 DCEERO CC[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000153400230 275802045 /nfs/dbraw/zinc/80/20/45/275802045.db2.gz GGRJBFKFTJPLBX-CYBMUJFWSA-N 1 0 320.441 0.843 10 30 DCEERO CC[NH+]=C(NCCn1ccnc1)N1CC[C@H](N2CCOCC2)C1 ZINC000262449133 275802417 /nfs/dbraw/zinc/80/24/17/275802417.db2.gz JLKTWZDTSZZOKY-HNNXBMFYSA-N 1 0 320.441 0.255 10 30 DCEERO C[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000262817414 277749741 /nfs/dbraw/zinc/74/97/41/277749741.db2.gz XAZGYKSTTMLDTA-GFCCVEGCSA-N 1 0 306.414 0.453 10 30 DCEERO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000363470691 298277595 /nfs/dbraw/zinc/27/75/95/298277595.db2.gz KFOYGQHNDNVRLU-FRRDWIJNSA-N 1 0 300.428 0.634 10 30 DCEERO CN1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@@H]1C#N ZINC000329950456 336098930 /nfs/dbraw/zinc/09/89/30/336098930.db2.gz MINFTNKUOZLPJD-GXTWGEPZSA-N 1 0 311.455 0.477 10 30 DCEERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329974425 336101866 /nfs/dbraw/zinc/10/18/66/336101866.db2.gz DAZZACBOWXMQHN-QPSCCSFWSA-N 1 0 311.426 0.976 10 30 DCEERO C[C@H]1OCC[C@H]1NC(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000330203359 336124165 /nfs/dbraw/zinc/12/41/65/336124165.db2.gz ASBROPGTZMXQRM-IJLUTSLNSA-N 1 0 314.386 0.246 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000424516228 337845509 /nfs/dbraw/zinc/84/55/09/337845509.db2.gz DOLWLRDZXABRGH-MQYQWHSLSA-N 1 0 309.410 0.198 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000425887468 338018357 /nfs/dbraw/zinc/01/83/57/338018357.db2.gz BGVAAOZTWCIWOF-KBPBESRZSA-N 1 0 323.437 0.636 10 30 DCEERO CC[C@H](O)C[NH+]1CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000173451957 340365330 /nfs/dbraw/zinc/36/53/30/340365330.db2.gz VUOCYJFYALHVOB-GJZGRUSLSA-N 1 0 310.442 0.383 10 30 DCEERO CC[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)CCN1CCOC ZINC000131509433 341092897 /nfs/dbraw/zinc/09/28/97/341092897.db2.gz KZSUXXIFUSLMAG-OAHLLOKOSA-N 1 0 310.442 0.791 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCc2nncn2-c2ccccc2)CCO1 ZINC000262451098 534271987 /nfs/dbraw/zinc/27/19/87/534271987.db2.gz JXDUFHRUMVWHAL-GFCCVEGCSA-N 1 0 300.366 0.803 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000425864024 534587118 /nfs/dbraw/zinc/58/71/18/534587118.db2.gz NBTXSBQMRWTSOH-ZFWWWQNUSA-N 1 0 323.437 0.683 10 30 DCEERO [NH2+]=C(NCCc1cccs1)NC[C@@H]1CCCS1(=O)=O ZINC000262431094 534834224 /nfs/dbraw/zinc/83/42/24/534834224.db2.gz FCGLSDHHEPRDDQ-NSHDSACASA-N 1 0 301.437 0.772 10 30 DCEERO C[NH+]=C(NCCNS(C)(=O)=O)NC1CCC(C)(C)CC1 ZINC000262752312 526361465 /nfs/dbraw/zinc/36/14/65/526361465.db2.gz AAOXZGOCJIVDEH-UHFFFAOYSA-N 1 0 304.460 0.669 10 30 DCEERO C[NH+]=C(NCc1nnc2ccccn21)N1CC[C@]2(CCOC2)C1 ZINC000158072678 526392593 /nfs/dbraw/zinc/39/25/93/526392593.db2.gz IYYFLBUPEABOJL-INIZCTEOSA-N 1 0 314.393 0.917 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262585310 526534956 /nfs/dbraw/zinc/53/49/56/526534956.db2.gz ZPTZJCAQPVDJCW-MRXNPFEDSA-N 1 0 316.405 0.133 10 30 DCEERO C=CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000408221349 527547197 /nfs/dbraw/zinc/54/71/97/527547197.db2.gz GOCDIOMQRKCLNB-MELADBBJSA-N 1 0 314.451 0.918 10 30 DCEERO CC[NH+](CC)CC1CCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000358317042 528091982 /nfs/dbraw/zinc/09/19/82/528091982.db2.gz UDSPDIMAVCLIAG-UHFFFAOYSA-N 1 0 309.414 0.390 10 30 DCEERO CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[C@@H]1C ZINC000261684668 528804615 /nfs/dbraw/zinc/80/46/15/528804615.db2.gz RBYPLJVHYDPGRJ-WCQYABFASA-N 1 0 316.471 0.622 10 30 DCEERO CC[NH+]=C(NCCc1c(C)noc1C)N[C@@H]1CCC(=O)NC1 ZINC000262829962 528806033 /nfs/dbraw/zinc/80/60/33/528806033.db2.gz ZOJZXYLPWRLCNE-GFCCVEGCSA-N 1 0 307.398 0.668 10 30 DCEERO CC[NH+]=C(NC[C@@H](O)C(F)(F)F)N1CCN(C2CC2)C(=O)C1 ZINC000262813838 528810030 /nfs/dbraw/zinc/81/00/30/528810030.db2.gz VYSCWTCNMMQTHX-SNVBAGLBSA-N 1 0 322.331 0.182 10 30 DCEERO CC[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@H]1CCC(=O)N(C)C1 ZINC000262764900 528814233 /nfs/dbraw/zinc/81/42/33/528814233.db2.gz FWGHMFGZNHAHIP-IUCAKERBSA-N 1 0 310.320 0.086 10 30 DCEERO CCNC(=[NH2+])NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000263292167 528941723 /nfs/dbraw/zinc/94/17/23/528941723.db2.gz WTYJAYVTCAHDAF-NSHDSACASA-N 1 0 302.386 0.265 10 30 DCEERO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C#N)C2CC2)CC1=O ZINC000246316268 529077377 /nfs/dbraw/zinc/07/73/77/529077377.db2.gz ZDECWTIKBLGARB-RBSFLKMASA-N 1 0 318.421 0.738 10 30 DCEERO C=CCCn1cc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)nn1 ZINC000615275073 546316722 /nfs/dbraw/zinc/31/67/22/546316722.db2.gz LEHWUJWLVBEOJT-CABCVRRESA-N 1 0 319.409 0.789 10 30 DCEERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(C#CCO)c3)[C@H]2C1 ZINC000908097175 663733127 /nfs/dbraw/zinc/73/31/27/663733127.db2.gz OVWUEVDTRNRZBU-IRXDYDNUSA-N 1 0 314.385 0.576 10 30 DCEERO N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1C1CC1 ZINC000732677126 664951691 /nfs/dbraw/zinc/95/16/91/664951691.db2.gz JCIDONJLQTWTQV-OAGGEKHMSA-N 1 0 317.437 0.995 10 30 DCEERO C#CCN(C(=O)CC[NH2+]C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000037825780 685054753 /nfs/dbraw/zinc/05/47/53/685054753.db2.gz OGFWDDNMCVPDJA-GFCCVEGCSA-N 1 0 300.424 0.414 10 30 DCEERO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N+]12CCN(CC1)CC2 ZINC000007613047 717105414 /nfs/dbraw/zinc/10/54/14/717105414.db2.gz DJXQGQQRFSKBMG-LBPRGKRZSA-O 1 0 304.370 0.888 10 30 DCEERO CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000262784323 529694981 /nfs/dbraw/zinc/69/49/81/529694981.db2.gz MDWPIFCJIHVPEG-ITDIGPHOSA-N 1 0 320.441 0.951 10 30 DCEERO C[NH+]=C(NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C)NC1CC1 ZINC000262801420 530039553 /nfs/dbraw/zinc/03/95/53/530039553.db2.gz QZDSFGJIBWUXIG-XHDPSFHLSA-N 1 0 318.425 0.575 10 30 DCEERO N#Cc1cnc(Nc2cc(N3CCO[C@H](C[NH3+])C3)ncn2)cn1 ZINC000098178660 395762123 /nfs/dbraw/zinc/76/21/23/395762123.db2.gz SSFCEYILWPVDRN-LLVKDONJSA-N 1 0 312.337 0.046 10 30 DCEERO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000118106546 395859136 /nfs/dbraw/zinc/85/91/36/395859136.db2.gz NJBBXPNAZRKUQR-LBPRGKRZSA-N 1 0 304.325 0.846 10 30 DCEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054887253 395907706 /nfs/dbraw/zinc/90/77/06/395907706.db2.gz MUAFPQIWWWIVRK-KBPBESRZSA-N 1 0 309.410 0.248 10 30 DCEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCn2ccnc2)c1 ZINC000163076361 396086203 /nfs/dbraw/zinc/08/62/03/396086203.db2.gz KESQKCSAFBSBBE-UHFFFAOYSA-N 1 0 304.375 0.818 10 30 DCEERO C=CC[C@H](CO)NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000183684512 396273303 /nfs/dbraw/zinc/27/33/03/396273303.db2.gz XRWGMLYQEOTLRC-HUUCEWRRSA-N 1 0 312.458 0.496 10 30 DCEERO C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)n1cnc(C#N)n1 ZINC000619612734 397159251 /nfs/dbraw/zinc/15/92/51/397159251.db2.gz FTIJBJUPCVHIKP-QWHCGFSZSA-N 1 0 302.382 0.798 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000613035211 397181269 /nfs/dbraw/zinc/18/12/69/397181269.db2.gz NJSNUDYNIQUBGV-HNNXBMFYSA-N 1 0 311.426 0.372 10 30 DCEERO C=CCOC[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C(=O)OC ZINC000602140792 397319009 /nfs/dbraw/zinc/31/90/09/397319009.db2.gz HCXKLTNKSVWQMJ-ZDUSSCGKSA-N 1 0 310.394 0.723 10 30 DCEERO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000469012407 397447553 /nfs/dbraw/zinc/44/75/53/397447553.db2.gz PIHPGJCKNIGXTB-RRFJBIMHSA-N 1 0 323.437 0.671 10 30 DCEERO N#Cc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1F ZINC000261790776 158740164 /nfs/dbraw/zinc/74/01/64/158740164.db2.gz XUYVYRNXCRDZKG-ZYHUDNBSSA-N 1 0 309.366 0.927 10 30 DCEERO C=CCNC(=O)CN1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000105868680 415637777 /nfs/dbraw/zinc/63/77/77/415637777.db2.gz PLWTULSQGBUFQJ-UHFFFAOYSA-N 1 0 319.409 0.608 10 30 DCEERO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CCO1 ZINC000116783259 415728964 /nfs/dbraw/zinc/72/89/64/415728964.db2.gz MRPXVASVOMLEHN-INIZCTEOSA-N 1 0 317.389 0.920 10 30 DCEERO CCc1nc(CCNC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)no1 ZINC000328845368 416135576 /nfs/dbraw/zinc/13/55/76/416135576.db2.gz AFVAGKJRDKGIBC-RYUDHWBXSA-N 1 0 323.397 0.493 10 30 DCEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000193110060 416312267 /nfs/dbraw/zinc/31/22/67/416312267.db2.gz FAMJCJRSSGSPKJ-QWRGUYRKSA-N 1 0 311.407 0.675 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000424553186 416663399 /nfs/dbraw/zinc/66/33/99/416663399.db2.gz ZELBNEGLUPOQDU-RFGFWPKPSA-N 1 0 309.410 0.327 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000574441769 417483672 /nfs/dbraw/zinc/48/36/72/417483672.db2.gz BYQNDQZOPNUXKX-OBJOEFQTSA-N 1 0 305.382 0.524 10 30 DCEERO C[NH+]1CCN(CCCNC(=O)Cc2cccc(C#N)c2)CC1 ZINC000530670048 417588722 /nfs/dbraw/zinc/58/87/22/417588722.db2.gz CZFDDCBSQYOXPD-UHFFFAOYSA-N 1 0 300.406 0.854 10 30 DCEERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1cccc(C#N)c1 ZINC000530680362 417589697 /nfs/dbraw/zinc/58/96/97/417589697.db2.gz STFKGGYJYZSDKD-CQSZACIVSA-N 1 0 300.406 0.853 10 30 DCEERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000377917950 276184891 /nfs/dbraw/zinc/18/48/91/276184891.db2.gz SWKIQKTYQDDSSY-GJZGRUSLSA-N 1 0 305.426 0.852 10 30 DCEERO C[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[N@H+](C)C1CC1 ZINC000363405836 278272151 /nfs/dbraw/zinc/27/21/51/278272151.db2.gz IWGWWBWWSXDOSV-SWLSCSKDSA-N 1 0 305.426 0.851 10 30 DCEERO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)n1cnc(C#N)n1 ZINC000561348599 288541050 /nfs/dbraw/zinc/54/10/50/288541050.db2.gz OQRSRDZVYDUGQW-FRRDWIJNSA-N 1 0 302.382 0.796 10 30 DCEERO C=CC[C@@H](CO)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000185779005 335149283 /nfs/dbraw/zinc/14/92/83/335149283.db2.gz NQAHNQZYDWLZGQ-HOTGVXAUSA-N 1 0 304.390 0.941 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000425866218 338017952 /nfs/dbraw/zinc/01/79/52/338017952.db2.gz FIUZLDWQGXXBNE-IPYPFGDCSA-N 1 0 321.421 0.294 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000425881800 338018168 /nfs/dbraw/zinc/01/81/68/338018168.db2.gz CZKTXBZYQSPHGA-XPCVCDNBSA-N 1 0 321.421 0.435 10 30 DCEERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]12 ZINC000248618392 341381760 /nfs/dbraw/zinc/38/17/60/341381760.db2.gz SGRIUNRUIWKPLH-JHJVBQTASA-N 1 0 322.409 0.861 10 30 DCEERO C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCS[C@H](C(C)C)C1 ZINC000153761915 526373130 /nfs/dbraw/zinc/37/31/30/526373130.db2.gz YBLVBJNZJDDVAZ-KGLIPLIRSA-N 1 0 314.499 0.966 10 30 DCEERO C[NH+]=C(NCc1ccccn1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261941512 526384817 /nfs/dbraw/zinc/38/48/17/526384817.db2.gz DNUYRILFLHHTBK-UHFFFAOYSA-N 1 0 310.423 0.666 10 30 DCEERO C[NH+]=C(NCc1cnn(C)c1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261843755 526388551 /nfs/dbraw/zinc/38/85/51/526388551.db2.gz WXOCNASXZROJIT-OAHLLOKOSA-N 1 0 304.398 0.098 10 30 DCEERO C[NH+]=C(NCc1noc(C)n1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261803983 526393679 /nfs/dbraw/zinc/39/36/79/526393679.db2.gz RTAHQRXMFITHON-CQSZACIVSA-N 1 0 306.370 0.056 10 30 DCEERO C=C(C)CNC(=[NH2+])NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000262819183 526575284 /nfs/dbraw/zinc/57/52/84/526575284.db2.gz WMAYRIGZNBUEOE-SWLSCSKDSA-N 1 0 318.425 0.728 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000156559911 526600798 /nfs/dbraw/zinc/60/07/98/526600798.db2.gz WGCPUBAOSXFHAF-LLVKDONJSA-N 1 0 306.370 0.315 10 30 DCEERO C=CCNC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361517357 526624067 /nfs/dbraw/zinc/62/40/67/526624067.db2.gz CGDUYPNMTAXCOB-CYBMUJFWSA-N 1 0 304.394 0.903 10 30 DCEERO C#CCNC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000117467866 527008630 /nfs/dbraw/zinc/00/86/30/527008630.db2.gz SIKGQRCQARSUMN-HNNXBMFYSA-N 1 0 308.426 0.056 10 30 DCEERO CC[NH+]=C(NCC1(O)CCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000262784038 528804129 /nfs/dbraw/zinc/80/41/29/528804129.db2.gz LVXRGUHBTNEXEU-AWEZNQCLSA-N 1 0 310.442 0.273 10 30 DCEERO CC[NH+]=C(NC[C@](C)(O)CC)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261715196 528813881 /nfs/dbraw/zinc/81/38/81/528813881.db2.gz HSACPAODNSEOND-HZPDHXFCSA-N 1 0 310.442 0.715 10 30 DCEERO C[NH+](C)CCn1cc(NCc2cnc3c(C#N)cnn3c2)cn1 ZINC000727470695 662173840 /nfs/dbraw/zinc/17/38/40/662173840.db2.gz ZCQOWPBIYWTODV-UHFFFAOYSA-N 1 0 310.365 0.971 10 30 DCEERO C[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262475673 662404242 /nfs/dbraw/zinc/40/42/42/662404242.db2.gz QBEKZEPNADLXOU-TZMCWYRMSA-N 1 0 307.398 0.200 10 30 DCEERO Cc1c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cnn1CCC#N ZINC000826719401 668138444 /nfs/dbraw/zinc/13/84/44/668138444.db2.gz ZIVXLHVIUJSMBD-CABCVRRESA-N 1 0 317.393 0.650 10 30 DCEERO CO[C@]1(C[NH2+]Cc2ccc(C#N)s2)CCS(=O)(=O)C1 ZINC000721207395 685318336 /nfs/dbraw/zinc/31/83/36/685318336.db2.gz SIUZYIGNBHZSJH-LBPRGKRZSA-N 1 0 300.405 0.913 10 30 DCEERO C#CCSCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000248448956 685175542 /nfs/dbraw/zinc/17/55/42/685175542.db2.gz DVXXLLHFCQSTJQ-UONOGXRCSA-N 1 0 313.467 0.839 10 30 DCEERO C=C(Br)CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248638420 685176141 /nfs/dbraw/zinc/17/61/41/685176141.db2.gz QVEASLCLLPANAD-MNOVXSKESA-N 1 0 320.231 0.992 10 30 DCEERO CN(C)C(=O)[C@H]1CC[C@H](CNC(=[NH2+])NCCc2cccs2)O1 ZINC000305765961 685217567 /nfs/dbraw/zinc/21/75/67/685217567.db2.gz HHQBXAAEAPUAHB-DGCLKSJQSA-N 1 0 324.450 0.831 10 30 DCEERO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(C#N)cn2C)CC1 ZINC000081765768 192322093 /nfs/dbraw/zinc/32/20/93/192322093.db2.gz QNKMHQRDDPKTQI-ZDUSSCGKSA-N 1 0 303.410 0.653 10 30 DCEERO C[NH+]=C(NCc1ccco1)NCc1ncccc1S(C)(=O)=O ZINC000262752131 530039268 /nfs/dbraw/zinc/03/92/68/530039268.db2.gz CDZYADDFYFNBLC-UHFFFAOYSA-N 1 0 322.390 0.943 10 30 DCEERO [NH2+]=C(NCc1ncccc1O)N1CCN(c2ncccn2)CC1 ZINC000262487660 238175826 /nfs/dbraw/zinc/17/58/26/238175826.db2.gz TUHMUSSXZUDZQS-UHFFFAOYSA-N 1 0 313.365 0.214 10 30 DCEERO C[C@@H]1C[NH+]=C(NCc2cccc(NC(=O)Cn3cccn3)c2)N1 ZINC000262668364 238178520 /nfs/dbraw/zinc/17/85/20/238178520.db2.gz PUDYJEWKETXRJZ-GFCCVEGCSA-N 1 0 312.377 0.959 10 30 DCEERO [NH2+]=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)N1CCN(c2ncccn2)CC1 ZINC000262812269 238181320 /nfs/dbraw/zinc/18/13/20/238181320.db2.gz OGRFGNVVSUVLAH-MJBXVCDLSA-N 1 0 316.409 0.481 10 30 DCEERO COCc1ccccc1NC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000263175594 238185745 /nfs/dbraw/zinc/18/57/45/238185745.db2.gz TUJRMJALYHMHTI-UHFFFAOYSA-N 1 0 306.366 0.418 10 30 DCEERO C=CCNC(=O)CN1CC[NH+](CCCCCn2cccn2)CC1 ZINC000068456953 396056545 /nfs/dbraw/zinc/05/65/45/396056545.db2.gz SJFJIZZPDUETSC-UHFFFAOYSA-N 1 0 319.453 0.973 10 30 DCEERO C[NH+](C)C1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000171111383 396107086 /nfs/dbraw/zinc/10/70/86/396107086.db2.gz FEXXBEQCFYPQDE-UHFFFAOYSA-N 1 0 314.389 0.841 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000078959198 396258767 /nfs/dbraw/zinc/25/87/67/396258767.db2.gz SQFQSGLDOQUAHD-NWANDNLSSA-N 1 0 320.437 0.945 10 30 DCEERO COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000185588282 396330605 /nfs/dbraw/zinc/33/06/05/396330605.db2.gz DBCJZYNEIOVIFQ-LBPRGKRZSA-N 1 0 309.391 0.891 10 30 DCEERO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COC[C@H]2CCCO2)C1=O ZINC000532205748 396599540 /nfs/dbraw/zinc/59/95/40/396599540.db2.gz HTCUAKYDBFKUCA-ZNMIVQPWSA-N 1 0 312.410 0.262 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CCCc2cccc(C[NH3+])c21 ZINC000600722114 396928266 /nfs/dbraw/zinc/92/82/66/396928266.db2.gz FZCZVONIONPDNF-UHFFFAOYSA-N 1 0 302.378 0.910 10 30 DCEERO C=CC[C@H]1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000625703528 396982913 /nfs/dbraw/zinc/98/29/13/396982913.db2.gz LMWIGTXGANNHFI-LBPRGKRZSA-N 1 0 317.393 0.332 10 30 DCEERO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)C1=O ZINC000599396881 397429039 /nfs/dbraw/zinc/42/90/39/397429039.db2.gz LAGMJTIALFXMFP-LSDHHAIUSA-N 1 0 321.421 0.776 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000579951202 397599858 /nfs/dbraw/zinc/59/98/58/397599858.db2.gz VOGRAJFHGNHTHK-JYJNAYRXSA-N 1 0 323.437 0.941 10 30 DCEERO CCS(=O)(=O)NCCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123524766 158231361 /nfs/dbraw/zinc/23/13/61/158231361.db2.gz CQEPJYFAHODXDF-UHFFFAOYSA-N 1 0 321.406 0.625 10 30 DCEERO C#CCNC(=O)[C@@H](C)N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000105865265 415635661 /nfs/dbraw/zinc/63/56/61/415635661.db2.gz KKMLTKXAGGSYGI-CHWSQXEVSA-N 1 0 319.409 0.449 10 30 DCEERO CN1CCO[C@H](CNC(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000110673553 415687909 /nfs/dbraw/zinc/68/79/09/415687909.db2.gz VKSXWTOQZUDYIK-OAHLLOKOSA-N 1 0 303.362 0.578 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC000343764477 415717794 /nfs/dbraw/zinc/71/77/94/415717794.db2.gz LHYXJRQMZVLXDE-HIFRSBDPSA-N 1 0 323.437 0.636 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC2(CO)CC2)CC1 ZINC000343916059 415782026 /nfs/dbraw/zinc/78/20/26/415782026.db2.gz PLIXKZAYONJYMR-UHFFFAOYSA-N 1 0 323.437 0.374 10 30 DCEERO C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000354417628 415798860 /nfs/dbraw/zinc/79/88/60/415798860.db2.gz BKTVQRTWBCFJER-ZIAGYGMSSA-N 1 0 314.451 0.942 10 30 DCEERO C#CCOc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000128080508 415894030 /nfs/dbraw/zinc/89/40/30/415894030.db2.gz ZQVDNYNWWIBLBS-HNNXBMFYSA-N 1 0 318.373 0.122 10 30 DCEERO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000328778446 416132527 /nfs/dbraw/zinc/13/25/27/416132527.db2.gz GFCMCGZTJHSFFD-KGLIPLIRSA-N 1 0 319.409 0.836 10 30 DCEERO CO[C@H]1C[C@@H](CO)N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329091990 416149836 /nfs/dbraw/zinc/14/98/36/416149836.db2.gz WZSKDVYAQGNTLY-CHZLEKFTSA-N 1 0 311.426 0.997 10 30 DCEERO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000341550669 416212305 /nfs/dbraw/zinc/21/23/05/416212305.db2.gz UBXWCDWVPIXCNZ-AWEZNQCLSA-N 1 0 311.426 0.638 10 30 DCEERO CC1=CC[N@H+](CCNC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000545870494 416676872 /nfs/dbraw/zinc/67/68/72/416676872.db2.gz WOBQDYOSQQPSTO-UHFFFAOYSA-N 1 0 302.382 1.570 10 30 DCEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000424296036 416637278 /nfs/dbraw/zinc/63/72/78/416637278.db2.gz NZRCMZDWCHSLMO-WMZOPIPTSA-N 1 0 323.481 0.964 10 30 DCEERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408060912 417135277 /nfs/dbraw/zinc/13/52/77/417135277.db2.gz KEYRRTWWERBHQV-STQMWFEESA-N 1 0 306.410 0.915 10 30 DCEERO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000408099854 417141321 /nfs/dbraw/zinc/14/13/21/417141321.db2.gz QEVHCYGKCAMGMW-JKSUJKDBSA-N 1 0 321.469 0.315 10 30 DCEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452608 417420303 /nfs/dbraw/zinc/42/03/03/417420303.db2.gz OMIDVDNFPBDVIR-ZIAGYGMSSA-N 1 0 323.437 0.862 10 30 DCEERO C=CC(C)(C)CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529329273 417440134 /nfs/dbraw/zinc/44/01/34/417440134.db2.gz HDJPGKGFOJLMSI-UHFFFAOYSA-N 1 0 323.441 0.551 10 30 DCEERO C=CCNc1ncc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)s1 ZINC000452388700 417479461 /nfs/dbraw/zinc/47/94/61/417479461.db2.gz KDUKZWGZOKCUJE-GFCCVEGCSA-N 1 0 324.450 1.318 10 30 DCEERO CC[NH+]=C(NCC1(O)CCC1)N[C@H]1CCCn2nc(C)nc21 ZINC000262785803 275801974 /nfs/dbraw/zinc/80/19/74/275801974.db2.gz MLVCZSOLCYFJJC-LBPRGKRZSA-N 1 0 306.414 0.892 10 30 DCEERO CC[NH+]=C(NC[C@H](C)N(C)C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261749737 278168160 /nfs/dbraw/zinc/16/81/60/278168160.db2.gz LRPVQKARWXKLPK-XJKSGUPXSA-N 1 0 309.458 0.504 10 30 DCEERO CC[NH+]=C(NCCC(=O)N(C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261710498 280844651 /nfs/dbraw/zinc/84/46/51/280844651.db2.gz HEYGEYNIGQOEGM-INIZCTEOSA-N 1 0 323.441 0.032 10 30 DCEERO C=CCn1cc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)nn1 ZINC000574982180 332630439 /nfs/dbraw/zinc/63/04/39/332630439.db2.gz PFGGMOTYGIUXLH-OAHLLOKOSA-N 1 0 304.398 0.749 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000563032768 333093849 /nfs/dbraw/zinc/09/38/49/333093849.db2.gz YWWWCDIIRNXRHG-QPSCCSFWSA-N 1 0 311.426 0.674 10 30 DCEERO C=CCCCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000582132771 333154191 /nfs/dbraw/zinc/15/41/91/333154191.db2.gz XTIYSHKMLGLHAC-CQSZACIVSA-N 1 0 310.442 0.211 10 30 DCEERO C[NH+](C)CCN1C[C@@H](C(=O)NCC2CCC(C#N)CC2)CC1=O ZINC000442973076 338440663 /nfs/dbraw/zinc/44/06/63/338440663.db2.gz NCLFMYFGIFXKIN-NRXISQOPSA-N 1 0 320.437 0.843 10 30 DCEERO [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@H]1CCc2ncnn2C1 ZINC000329972548 336101546 /nfs/dbraw/zinc/10/15/46/336101546.db2.gz YDVOMMIVJRMXQB-RYUDHWBXSA-N 1 0 315.381 0.556 10 30 DCEERO CN(CCC#N)S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261615222 337607955 /nfs/dbraw/zinc/60/79/55/337607955.db2.gz CRWOJPXFNVILMR-CYBMUJFWSA-N 1 0 309.395 0.118 10 30 DCEERO CC[NH+]=C(NC1CCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262760226 337620986 /nfs/dbraw/zinc/62/09/86/337620986.db2.gz CWMWDZHAMRXPNY-AWEZNQCLSA-N 1 0 308.426 0.828 10 30 DCEERO C=CCSCCNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422263456 337678220 /nfs/dbraw/zinc/67/82/20/337678220.db2.gz BMJWDHIFGKDCFX-UHFFFAOYSA-N 1 0 318.402 0.986 10 30 DCEERO COC[C@H](C)NC(=[NH2+])NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000087001554 337855930 /nfs/dbraw/zinc/85/59/30/337855930.db2.gz GIAHRFYJTXTZEG-NSHDSACASA-N 1 0 318.381 0.715 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000425908403 338018698 /nfs/dbraw/zinc/01/86/98/338018698.db2.gz HONOHCICDZZXAQ-ILXRZTDVSA-N 1 0 323.437 0.542 10 30 DCEERO C=CCN(C(=O)C(=O)N1CCC([NH2+]CCOC)CC1)C1CC1 ZINC000580561923 341877428 /nfs/dbraw/zinc/87/74/28/341877428.db2.gz CXKOBSRWXCMJEN-UHFFFAOYSA-N 1 0 309.410 0.390 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCC(=O)N(C)CCc2ccccn2)CCO1 ZINC000262459220 534271104 /nfs/dbraw/zinc/27/11/04/534271104.db2.gz LZFPWHVKTIAMRP-CYBMUJFWSA-N 1 0 319.409 0.118 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCc2ncn(-c3ccccc3)n2)CCO1 ZINC000263146342 534272050 /nfs/dbraw/zinc/27/20/50/534272050.db2.gz OWUKGIKJALHIQN-GFCCVEGCSA-N 1 0 300.366 0.803 10 30 DCEERO NC(=O)c1cnn2c1C[C@H](CNC(=[NH2+])N1CCCCCC1)CC2 ZINC000261982292 534514044 /nfs/dbraw/zinc/51/40/44/534514044.db2.gz WMZRDZMQGPSSSG-GFCCVEGCSA-N 1 0 318.425 0.735 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000425880996 534587086 /nfs/dbraw/zinc/58/70/86/534587086.db2.gz KIQXWEBKQNVVPG-DYEKYZERSA-N 1 0 309.410 0.293 10 30 DCEERO CNC(NCCNS(=O)(=O)c1ccc(Cl)cc1C)=[NH+]C ZINC000262194790 526343964 /nfs/dbraw/zinc/34/39/64/526343964.db2.gz ZGLXYJBRIMESRW-UHFFFAOYSA-N 1 0 318.830 0.722 10 30 DCEERO CNC(=O)CNC(NC[C@@H](O)c1ccc(Cl)s1)=[NH+]C ZINC000262441104 526347660 /nfs/dbraw/zinc/34/76/60/526347660.db2.gz HNRNIUPSXYTDEJ-SSDOTTSWSA-N 1 0 304.803 0.346 10 30 DCEERO C[NH+]=C(NCC1(CCO)CCCC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262773048 526350575 /nfs/dbraw/zinc/35/05/75/526350575.db2.gz JECNTHFXBGHTPD-CYBMUJFWSA-N 1 0 310.442 0.715 10 30 DCEERO C[NH+]=C(NCCOc1ncccc1F)N[C@H]1CCC(=O)NC1 ZINC000261869650 526362608 /nfs/dbraw/zinc/36/26/08/526362608.db2.gz SGHFIPZEUJQRGV-JTQLQIEISA-N 1 0 309.345 0.043 10 30 DCEERO C[NH+]=C(NCCc1nc(C)no1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262466003 526366039 /nfs/dbraw/zinc/36/60/39/526366039.db2.gz NSLYVFCQEJYNCO-GFCCVEGCSA-N 1 0 317.397 0.719 10 30 DCEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262809487 526376568 /nfs/dbraw/zinc/37/65/68/526376568.db2.gz URAIOWXXQONKGP-AXTSPUMRSA-N 1 0 309.332 0.888 10 30 DCEERO C[NH+]=C(NC[C@H]1CCOC1)N1CCN(Cc2ccon2)CC1 ZINC000152875395 526377112 /nfs/dbraw/zinc/37/71/12/526377112.db2.gz BQFGRBLMLGQZIO-CYBMUJFWSA-N 1 0 307.398 0.404 10 30 DCEERO C[NH+]=C(NCc1nncn1C)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000261664447 526393443 /nfs/dbraw/zinc/39/34/43/526393443.db2.gz BIBRSXIBODKFGG-JTQLQIEISA-N 1 0 318.429 0.462 10 30 DCEERO C[NH+]=C(NCc1noc(C)n1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261707912 526393751 /nfs/dbraw/zinc/39/37/51/526393751.db2.gz GVRHQNRHPZWCJS-GFCCVEGCSA-N 1 0 319.369 0.260 10 30 DCEERO C=CCNC(=O)CN1CCC[C@@H]([N@H+](C)CC(=O)NCC=C)CC1 ZINC000156971015 526525652 /nfs/dbraw/zinc/52/56/52/526525652.db2.gz SJUYYXLLAFVOOB-OAHLLOKOSA-N 1 0 322.453 0.377 10 30 DCEERO C=CCNC(=O)CN1CC[NH+](CCCc2ccncc2)CC1 ZINC000360453007 526536533 /nfs/dbraw/zinc/53/65/33/526536533.db2.gz AKFUMAPLTSJYDU-UHFFFAOYSA-N 1 0 302.422 0.934 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](CC(N)=O)C2)CC1 ZINC000376744485 526587206 /nfs/dbraw/zinc/58/72/06/526587206.db2.gz UITBOLAWKKVSQL-ZDUSSCGKSA-N 1 0 308.426 0.934 10 30 DCEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174876855 526622970 /nfs/dbraw/zinc/62/29/70/526622970.db2.gz IARADPIFXHUMRB-CVEARBPZSA-N 1 0 308.470 0.779 10 30 DCEERO C=C(C)CS(=O)(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000184423008 526676879 /nfs/dbraw/zinc/67/68/79/526676879.db2.gz BWYZLAOKBBQENN-OAHLLOKOSA-N 1 0 315.483 0.994 10 30 DCEERO C=CCOCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364283444 526774462 /nfs/dbraw/zinc/77/44/62/526774462.db2.gz ZKANLLDFFGUHHC-MRXNPFEDSA-N 1 0 324.469 0.999 10 30 DCEERO C=CCOCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000364745335 526775588 /nfs/dbraw/zinc/77/55/88/526775588.db2.gz DIIWHZHTYWLMOJ-AWEZNQCLSA-N 1 0 324.425 0.137 10 30 DCEERO C#CC[NH+](C)CCCNC(=O)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263370930 526812884 /nfs/dbraw/zinc/81/28/84/526812884.db2.gz MXVDOBKRFJHYOD-UHFFFAOYSA-N 1 0 324.425 0.178 10 30 DCEERO C=CCc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc(OC)c1OC ZINC000262296842 527233737 /nfs/dbraw/zinc/23/37/37/527233737.db2.gz PEWWNGLBJIZXLO-KGLIPLIRSA-N 1 0 320.389 0.742 10 30 DCEERO C#Cc1cccc(NC(=O)CNC(=O)c2[nH]nc3c2C[NH2+]CC3)c1 ZINC000188861359 527453798 /nfs/dbraw/zinc/45/37/98/527453798.db2.gz UVSUVDXIHVPIMO-UHFFFAOYSA-N 1 0 323.356 0.405 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CCN(C(=O)CC)C1 ZINC000261976595 528809729 /nfs/dbraw/zinc/80/97/29/528809729.db2.gz NTXIAPYQBJLMCZ-IHRRRGAJSA-N 1 0 310.442 0.713 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCN(C2CC2)C(=O)C1 ZINC000262805351 528809730 /nfs/dbraw/zinc/80/97/30/528809730.db2.gz SLVKPFHSSNPQKC-JSGCOSHPSA-N 1 0 308.426 0.420 10 30 DCEERO CC[NH+]=C(NC[C@H](C)N1CCOCC1)N1CC[C@]2(CCOC2)C1 ZINC000261934867 528813582 /nfs/dbraw/zinc/81/35/82/528813582.db2.gz CEGGXHZZBCYMOD-RDJZCZTQSA-N 1 0 324.469 0.785 10 30 DCEERO CC[NH+]=C(NC[C@]1(C)CCOC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261773527 528816449 /nfs/dbraw/zinc/81/64/49/528816449.db2.gz OJBBRYGFRQNOTM-IRXDYDNUSA-N 1 0 322.453 0.981 10 30 DCEERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329041585 546042796 /nfs/dbraw/zinc/04/27/96/546042796.db2.gz OMNLSZVJDFDSFL-XJFOESAGSA-N 1 0 320.397 0.348 10 30 DCEERO C[NH+]=C(NCc1cccc(OC)n1)N1CCC[C@H](CC(N)=O)C1 ZINC000261853894 661753453 /nfs/dbraw/zinc/75/34/53/661753453.db2.gz YKWBCLLMIIWOKB-GFCCVEGCSA-N 1 0 319.409 0.753 10 30 DCEERO CN1CCO[C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262565262 662483406 /nfs/dbraw/zinc/48/34/06/662483406.db2.gz XSDOTIMRFMQLAF-JSGCOSHPSA-N 1 0 304.394 0.745 10 30 DCEERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000732155014 664906240 /nfs/dbraw/zinc/90/62/40/664906240.db2.gz XCIFKKYYRIYGOT-GASGDFKYSA-N 1 0 320.393 0.503 10 30 DCEERO C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1CCc2nc(C)nn2C1 ZINC000131646290 669676452 /nfs/dbraw/zinc/67/64/52/669676452.db2.gz KVGKOEZZIZHZEF-CYBMUJFWSA-N 1 0 316.413 0.271 10 30 DCEERO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192579518 670183817 /nfs/dbraw/zinc/18/38/17/670183817.db2.gz XBTIWBJXCCKOBN-MNOVXSKESA-N 1 0 309.391 0.123 10 30 DCEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCC(=O)N1CCOCC1 ZINC000121483048 671895013 /nfs/dbraw/zinc/89/50/13/671895013.db2.gz KFMITVWEQUVSNV-OAHLLOKOSA-N 1 0 324.421 0.902 10 30 DCEERO COC[C@H](C)NC(=[NH2+])NCc1ccc(CN2CCOCC2)cc1 ZINC000303779005 685207567 /nfs/dbraw/zinc/20/75/67/685207567.db2.gz KHMTUWJWEPXJPI-AWEZNQCLSA-N 1 0 320.437 0.958 10 30 DCEERO CN(CCNC(=[NH2+])NC1CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000262690536 529853016 /nfs/dbraw/zinc/85/30/16/529853016.db2.gz CDWGYDMYWIMVHG-UHFFFAOYSA-N 1 0 314.386 0.513 10 30 DCEERO C[C@@H]1C[NH+]=C(NC[C@H]2CCCN(c3nccn4cnnc34)C2)N1 ZINC000262654290 238178001 /nfs/dbraw/zinc/17/80/01/238178001.db2.gz LDOIISAMXOJPEC-VXGBXAGGSA-N 1 0 314.397 0.278 10 30 DCEERO C[C@H](O)C[N@@H+]1CCN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1C ZINC000247206376 238161589 /nfs/dbraw/zinc/16/15/89/238161589.db2.gz PHYWKVBCTRUXPR-GJZGRUSLSA-N 1 0 321.425 0.029 10 30 DCEERO COCCS(=O)(=O)N(C)Cc1cc(C#CC[NH3+])cs1 ZINC000042810885 183311349 /nfs/dbraw/zinc/31/13/49/183311349.db2.gz WWZSEZOIUHPXEB-UHFFFAOYSA-N 1 0 302.421 0.466 10 30 DCEERO C=CC[C@]1(C(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)CCC[NH2+]1 ZINC000595956541 396695235 /nfs/dbraw/zinc/69/52/35/396695235.db2.gz RFSYZXCXUIQUGI-WMLDXEAASA-N 1 0 323.437 0.781 10 30 DCEERO CN(C[C@H]1CCC[N@H+](C)C1)C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329404838 396844506 /nfs/dbraw/zinc/84/45/06/396844506.db2.gz ZBBRNPXSBCFJPY-MELADBBJSA-N 1 0 322.413 0.406 10 30 DCEERO C=CCN(CCOC)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000625579970 396932781 /nfs/dbraw/zinc/93/27/81/396932781.db2.gz YIYXVRFVJUDKPV-OAHLLOKOSA-N 1 0 323.437 0.781 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000612045150 396988609 /nfs/dbraw/zinc/98/86/09/396988609.db2.gz QKGXWHVXXUYAEU-CABCVRRESA-N 1 0 323.437 0.828 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000612414331 397048843 /nfs/dbraw/zinc/04/88/43/397048843.db2.gz MRMNXZUXTVLOFZ-ZDUSSCGKSA-N 1 0 311.426 0.684 10 30 DCEERO N#Cc1cc(Br)cnc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405698782 397332089 /nfs/dbraw/zinc/33/20/89/397332089.db2.gz PSINANXARDQLEZ-NWDGAFQWSA-N 1 0 323.194 0.971 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CC[C@H](C(=O)OC)[C@@H]2CCC[C@H]21 ZINC000599649922 397495938 /nfs/dbraw/zinc/49/59/38/397495938.db2.gz FPRACQFOBJHXQC-RWMBFGLXSA-N 1 0 323.393 0.662 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000075959892 415451078 /nfs/dbraw/zinc/45/10/78/415451078.db2.gz ZCRWIDXXINRAAT-HOTGVXAUSA-N 1 0 309.454 0.964 10 30 DCEERO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000278980223 415514047 /nfs/dbraw/zinc/51/40/47/415514047.db2.gz YYKVLJIYTMBPLY-YJBOKZPZSA-N 1 0 324.384 0.876 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@H]2CCOC2)CC1 ZINC000343769170 415720857 /nfs/dbraw/zinc/72/08/57/415720857.db2.gz SJMVQWUNBGYMGB-ZDUSSCGKSA-N 1 0 309.410 0.296 10 30 DCEERO C[NH+](C)C[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCO1 ZINC000119449564 415747080 /nfs/dbraw/zinc/74/70/80/415747080.db2.gz VTLHXZIPQRCMOA-CQSZACIVSA-N 1 0 316.357 0.556 10 30 DCEERO C=CCN1CC[C@@H](N2CCN(c3cc[nH+]cc3OC)CC2)C1=O ZINC000337235903 415934220 /nfs/dbraw/zinc/93/42/20/415934220.db2.gz LLBIYOQBVROGRH-OAHLLOKOSA-N 1 0 316.405 0.999 10 30 DCEERO CC(C)NS(=O)(=O)CC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000172339863 416045470 /nfs/dbraw/zinc/04/54/70/416045470.db2.gz MEQDIWHMJRDCNS-UHFFFAOYSA-N 1 0 321.406 0.623 10 30 DCEERO C=CCN1C(=O)c2ccc(C(=O)NCC[NH+](C)C)cc2C1=O ZINC000339857503 416168338 /nfs/dbraw/zinc/16/83/38/416168338.db2.gz AHDGLAZVTVTFEM-UHFFFAOYSA-N 1 0 301.346 0.760 10 30 DCEERO CCc1nc(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)cs1 ZINC000329421483 416170339 /nfs/dbraw/zinc/17/03/39/416170339.db2.gz FKKUAHIXXBMWRN-LBPRGKRZSA-N 1 0 311.455 0.955 10 30 DCEERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCc3c(ncn(C)c3=O)C2)C1 ZINC000330109333 416196105 /nfs/dbraw/zinc/19/61/05/416196105.db2.gz OZLNDIBZYKPFGN-GFCCVEGCSA-N 1 0 319.409 0.537 10 30 DCEERO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329366056 416164802 /nfs/dbraw/zinc/16/48/02/416164802.db2.gz GTAXXTCVEOJJSS-UONOGXRCSA-N 1 0 322.413 0.594 10 30 DCEERO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCN1CCO ZINC000190029593 416274457 /nfs/dbraw/zinc/27/44/57/416274457.db2.gz CBEWKUDALNWOIN-LBPRGKRZSA-N 1 0 316.361 0.022 10 30 DCEERO C[C@@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC000360251084 416382037 /nfs/dbraw/zinc/38/20/37/416382037.db2.gz KTQOMWJVDIQPLZ-RYUDHWBXSA-N 1 0 304.398 0.899 10 30 DCEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418828368 416391230 /nfs/dbraw/zinc/39/12/30/416391230.db2.gz MKSPHSPJRBZOHE-XQLPTFJDSA-N 1 0 321.421 0.437 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000424475425 416653368 /nfs/dbraw/zinc/65/33/68/416653368.db2.gz JLYCKQYLRMHSHS-KBPBESRZSA-N 1 0 311.426 0.893 10 30 DCEERO CC[C@H](CC#N)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000615214062 416786869 /nfs/dbraw/zinc/78/68/69/416786869.db2.gz DOJXMFWPMZSING-LLVKDONJSA-N 1 0 306.370 0.192 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000564888960 416898186 /nfs/dbraw/zinc/89/81/86/416898186.db2.gz BRSJWFZULJCHCK-KBXIAJHMSA-N 1 0 311.426 0.674 10 30 DCEERO C=C1CC(C)(C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)C1 ZINC000633106666 417365524 /nfs/dbraw/zinc/36/55/24/417365524.db2.gz OZCSSMWBBUBWOJ-CQSZACIVSA-N 1 0 323.437 0.638 10 30 DCEERO C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000262634693 279658880 /nfs/dbraw/zinc/65/88/80/279658880.db2.gz GMWYHOJOFRTYHH-QWHCGFSZSA-N 1 0 316.471 0.847 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000372587724 289238371 /nfs/dbraw/zinc/23/83/71/289238371.db2.gz RJZUMDSNXGXCQC-AGIUHOORSA-N 1 0 300.428 0.491 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)[C@H](O)Cc2cnn(C)c2)CC1 ZINC000330976857 334827533 /nfs/dbraw/zinc/82/75/33/334827533.db2.gz VXQLQTYFFQYKJV-OAHLLOKOSA-N 1 0 306.410 0.480 10 30 DCEERO C=CCOCCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000376844796 337042619 /nfs/dbraw/zinc/04/26/19/337042619.db2.gz LRJOLWRQTSQDGN-GJZGRUSLSA-N 1 0 323.437 0.638 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000425909996 338018877 /nfs/dbraw/zinc/01/88/77/338018877.db2.gz SDTRVMHPPPHOCF-KKUMJFAQSA-N 1 0 323.437 0.494 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000425909413 338018948 /nfs/dbraw/zinc/01/89/48/338018948.db2.gz OSLIXUPGENTPNX-KKUMJFAQSA-N 1 0 323.437 0.636 10 30 DCEERO C[NH+]=C(NCC(=O)NC(C)(C)C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262494182 526345513 /nfs/dbraw/zinc/34/55/13/526345513.db2.gz VVPLFPMKVNILAM-LBPRGKRZSA-N 1 0 320.441 0.700 10 30 DCEERO C[NH+]=C(NCC(=O)NC(C)(C)C)N1CCC[C@@H](CC(N)=O)C1 ZINC000261815325 526346321 /nfs/dbraw/zinc/34/63/21/526346321.db2.gz TUTRHBWACNBPJJ-NSHDSACASA-N 1 0 311.430 0.064 10 30 DCEERO C[NH+]=C(NCC1(O)CCC1)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000262824542 526351705 /nfs/dbraw/zinc/35/17/05/526351705.db2.gz ZKTQIQPCDMRIFS-ZDUSSCGKSA-N 1 0 320.441 0.469 10 30 DCEERO C[NH+]=C(NCc1c(C)noc1C)N1CC[C@H](N2CCOCC2)C1 ZINC000175527898 526379793 /nfs/dbraw/zinc/37/97/93/526379793.db2.gz SNKBJGNIVSYCAW-AWEZNQCLSA-N 1 0 321.425 0.773 10 30 DCEERO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)NC1CCOCC1 ZINC000262777683 526379810 /nfs/dbraw/zinc/37/98/10/526379810.db2.gz KMFWXZNNIJIIDJ-CQSZACIVSA-N 1 0 300.472 0.768 10 30 DCEERO C[NH+]=C(NCc1nccn1C)N1CCN(Cc2ccon2)CC1 ZINC000261736243 526391411 /nfs/dbraw/zinc/39/14/11/526391411.db2.gz KDDFNQPLTWZDMM-UHFFFAOYSA-N 1 0 317.397 0.301 10 30 DCEERO C=CCNC(=O)CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000180669274 526555376 /nfs/dbraw/zinc/55/53/76/526555376.db2.gz NCQHNDHYRWSROW-UHFFFAOYSA-N 1 0 322.384 0.989 10 30 DCEERO C=C(C)CS(=O)(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000184477463 526676340 /nfs/dbraw/zinc/67/63/40/526676340.db2.gz QIEASXZKJCYBEL-OAHLLOKOSA-N 1 0 315.483 0.994 10 30 DCEERO CCO[C@@H]1C[C@H](NC(=[NH2+])N2CCO[C@H](C)C2)C12CCOCC2 ZINC000262483800 527893968 /nfs/dbraw/zinc/89/39/68/527893968.db2.gz SCVMKRCZUQNPOJ-HZSPNIEDSA-N 1 0 311.426 0.996 10 30 DCEERO CC[NH+]=C(NC1CCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261708089 528802817 /nfs/dbraw/zinc/80/28/17/528802817.db2.gz GYIABDKLXOZQOH-MRXNPFEDSA-N 1 0 321.425 0.815 10 30 DCEERO CC[NH+]=C(NCC1(O)CCC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261808800 528803176 /nfs/dbraw/zinc/80/31/76/528803176.db2.gz SGIPPNIGFAQJCM-AWEZNQCLSA-N 1 0 321.425 0.674 10 30 DCEERO CC[NH+]=C(NCCNC(=O)c1cnccn1)N1CCC[C@@H](C)C1 ZINC000262578127 528806059 /nfs/dbraw/zinc/80/60/59/528806059.db2.gz PKFPMPKAQBTNOT-CYBMUJFWSA-N 1 0 318.425 0.904 10 30 DCEERO CC[NH+]=C(NCc1cnn(C)c1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261730809 528818151 /nfs/dbraw/zinc/81/81/51/528818151.db2.gz JLXPAQGYYUACPC-INIZCTEOSA-N 1 0 318.425 0.488 10 30 DCEERO CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CCN(C2CC2)C(=O)C1 ZINC000262319591 657531417 /nfs/dbraw/zinc/53/14/17/657531417.db2.gz RPQJYZMZGFKUBP-LBPRGKRZSA-N 1 0 323.441 0.125 10 30 DCEERO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000261633547 661337229 /nfs/dbraw/zinc/33/72/29/661337229.db2.gz JUQSFGLDUMJBIS-IHRRRGAJSA-N 1 0 311.426 0.637 10 30 DCEERO C=CCS(=O)(=O)NCC1(C[NH+]2CCCC2)CCOCC1 ZINC000223603908 664417285 /nfs/dbraw/zinc/41/72/85/664417285.db2.gz OTGKRPXHJRRKIU-UHFFFAOYSA-N 1 0 302.440 0.984 10 30 DCEERO CC[NH+]=C(NCC1(O)CCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000153408251 664836409 /nfs/dbraw/zinc/83/64/09/664836409.db2.gz YJNLKYMUTQCVCV-GFCCVEGCSA-N 1 0 306.414 0.453 10 30 DCEERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000732155016 664906510 /nfs/dbraw/zinc/90/65/10/664906510.db2.gz XCIFKKYYRIYGOT-XQTVBXIXSA-N 1 0 320.393 0.503 10 30 DCEERO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)CC)CC1 ZINC000740736073 667751091 /nfs/dbraw/zinc/75/10/91/667751091.db2.gz CFIFZXNXJCPOJU-AWEZNQCLSA-N 1 0 323.462 0.902 10 30 DCEERO CO/N=C(\C(=O)NCC[N+]1(C)CCOCC1)c1ccccc1 ZINC000059181948 717131451 /nfs/dbraw/zinc/13/14/51/717131451.db2.gz SMUKCEGNSDCPTD-SDXDJHTJSA-O 1 0 306.386 0.630 10 30 DCEERO CC(=O)Nc1ccc(NC(=O)C[N+]23CCN(CC2)CC3)cc1 ZINC000007612873 717104578 /nfs/dbraw/zinc/10/45/78/717104578.db2.gz NZNSPGQWVPOCTG-UHFFFAOYSA-O 1 0 303.386 0.730 10 30 DCEERO CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000709407638 939714003 /nfs/dbraw/zinc/71/40/03/939714003.db2.gz UMZGIKKEZXFQRX-RYUDHWBXSA-N 1 0 301.412 0.433 10 30 DCEERO [NH2+]=C(NCCN1CCN(c2ncccn2)CC1)NC1CCCC1 ZINC000261893529 238168205 /nfs/dbraw/zinc/16/82/05/238168205.db2.gz UIGASFGTXUXANY-UHFFFAOYSA-N 1 0 317.441 0.446 10 30 DCEERO CS(=O)(=O)N1CC(CNC(=[NH2+])NCCc2cccs2)C1 ZINC000262439737 533380216 /nfs/dbraw/zinc/38/02/16/533380216.db2.gz NBJUHHPOWHPRRR-UHFFFAOYSA-N 1 0 316.452 0.086 10 30 DCEERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1cccc(C#N)c1 ZINC000112548846 395818721 /nfs/dbraw/zinc/81/87/21/395818721.db2.gz FLBMBOBMCCCQGU-IUODEOHRSA-N 1 0 302.378 0.805 10 30 DCEERO COC[C@@](C)(CCO)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000079921004 396272361 /nfs/dbraw/zinc/27/23/61/396272361.db2.gz FSNFENAMYYXQPU-GOEBONIOSA-N 1 0 308.378 0.675 10 30 DCEERO C=C(C)C[C@@H](NS(=O)(=O)N(C)C1CC[NH2+]CC1)C(=O)OC ZINC000601348201 397072436 /nfs/dbraw/zinc/07/24/36/397072436.db2.gz UKLNOVQEEXCAPN-GFCCVEGCSA-N 1 0 319.427 0.012 10 30 DCEERO C=C(C)C[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000630972441 397149044 /nfs/dbraw/zinc/14/90/44/397149044.db2.gz VYOUUKRHEFUBHU-STQMWFEESA-N 1 0 322.409 0.460 10 30 DCEERO C#CCNC(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869678 415638111 /nfs/dbraw/zinc/63/81/11/415638111.db2.gz NZFJYKXKRMYJBD-CQSZACIVSA-N 1 0 303.410 0.066 10 30 DCEERO C=CCNC(=O)[C@H](C)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109755849 415681972 /nfs/dbraw/zinc/68/19/72/415681972.db2.gz NAKDMQPABVFHOQ-JKSUJKDBSA-N 1 0 308.470 0.779 10 30 DCEERO CC[C@@H]1CN(S(=O)(=O)CCCC#N)CCN1CCOC ZINC000117372204 415733259 /nfs/dbraw/zinc/73/32/59/415733259.db2.gz VEZDBFNMWFYRRD-CYBMUJFWSA-N 1 0 303.428 0.663 10 30 DCEERO C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC[N@@H+]1C ZINC000329404033 416168246 /nfs/dbraw/zinc/16/82/46/416168246.db2.gz YWLRLUKSRIEWFT-YIYPIFLZSA-N 1 0 322.413 0.547 10 30 DCEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN1CCNC(=O)C1 ZINC000329715778 416187868 /nfs/dbraw/zinc/18/78/68/416187868.db2.gz VNASGYBCWXTBFC-CHWSQXEVSA-N 1 0 309.414 0.341 10 30 DCEERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329250505 416157894 /nfs/dbraw/zinc/15/78/94/416157894.db2.gz BARHWLURQLEFJL-ZOBORPQBSA-N 1 0 322.413 0.404 10 30 DCEERO C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423503185 416517635 /nfs/dbraw/zinc/51/76/35/416517635.db2.gz FPUOPGJQDDCEQF-INIZCTEOSA-N 1 0 309.410 0.250 10 30 DCEERO C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000491526190 416603470 /nfs/dbraw/zinc/60/34/70/416603470.db2.gz XXEMEVLJMBSKMW-AWEZNQCLSA-N 1 0 306.410 0.252 10 30 DCEERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000365945416 416611828 /nfs/dbraw/zinc/61/18/28/416611828.db2.gz HWGQQKIBIQOVGQ-WQVCFCJDSA-N 1 0 317.437 0.851 10 30 DCEERO C[C@@H]1C[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000371886309 416925049 /nfs/dbraw/zinc/92/50/49/416925049.db2.gz RUYJXPGWYVANSU-DVOMOZLQSA-N 1 0 317.437 0.993 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000616478563 417060155 /nfs/dbraw/zinc/06/01/55/417060155.db2.gz WEMLKESNROVABD-OCCSQVGLSA-N 1 0 324.425 0.036 10 30 DCEERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C#N)n2C)C1 ZINC000448606798 417088305 /nfs/dbraw/zinc/08/83/05/417088305.db2.gz VWZRUORCPRBJNB-CQSZACIVSA-N 1 0 304.394 0.983 10 30 DCEERO CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000408038457 417132636 /nfs/dbraw/zinc/13/26/36/417132636.db2.gz NENCRILGYZUFEP-LZWOXQAQSA-N 1 0 308.426 0.446 10 30 DCEERO C=CCOCCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627012202 417207172 /nfs/dbraw/zinc/20/71/72/417207172.db2.gz UTLFWNZRKFNSAO-OAHLLOKOSA-N 1 0 311.426 0.989 10 30 DCEERO C[NH+](C)C[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)CCO1 ZINC000105927123 335084633 /nfs/dbraw/zinc/08/46/33/335084633.db2.gz VFLCYRLBLCBUTP-AWEZNQCLSA-N 1 0 308.426 0.591 10 30 DCEERO C[NH+]=C(NC[C@H]1CCCCO1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261936695 277752461 /nfs/dbraw/zinc/75/24/61/277752461.db2.gz CRANNUPJESYFBA-GFCCVEGCSA-N 1 0 317.455 0.640 10 30 DCEERO CC[NH+]=C(NCCN1CCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261703240 278166831 /nfs/dbraw/zinc/16/68/31/278166831.db2.gz GJZYGQOBFPQRKM-INIZCTEOSA-N 1 0 307.442 0.260 10 30 DCEERO CCNC(NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C)=[NH+]CC ZINC000262805186 278169655 /nfs/dbraw/zinc/16/96/55/278169655.db2.gz SABVZGGKFBNNHE-SWLSCSKDSA-N 1 0 320.441 0.823 10 30 DCEERO CC[C@H](O)C[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000118858702 288110706 /nfs/dbraw/zinc/11/07/06/288110706.db2.gz KDALJCPQROAXRM-HOCLYGCPSA-N 1 0 308.426 0.183 10 30 DCEERO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884256 332255074 /nfs/dbraw/zinc/25/50/74/332255074.db2.gz VLBCJMQRJZVMLH-AWEZNQCLSA-N 1 0 304.398 0.752 10 30 DCEERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)C1 ZINC000330133045 336116606 /nfs/dbraw/zinc/11/66/06/336116606.db2.gz QUBBKDCJMBPPAH-XJFOESAGSA-N 1 0 308.426 0.984 10 30 DCEERO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000330226275 336126776 /nfs/dbraw/zinc/12/67/76/336126776.db2.gz UJSXUIFMYYWBPD-SCRDCRAPSA-N 1 0 315.439 0.361 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000425909984 338018924 /nfs/dbraw/zinc/01/89/24/338018924.db2.gz SBNIPJNQLMIXQH-KBPBESRZSA-N 1 0 311.426 0.492 10 30 DCEERO C=CCN(CCC#N)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000428854764 338062536 /nfs/dbraw/zinc/06/25/36/338062536.db2.gz CBOTZJREIFJBAL-INIZCTEOSA-N 1 0 322.453 0.861 10 30 DCEERO C=CCN(C)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000459910790 339050525 /nfs/dbraw/zinc/05/05/25/339050525.db2.gz SVAIHJDIXYPZHL-OAHLLOKOSA-N 1 0 322.453 0.259 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCc2ccnc(-n3cccn3)c2)CCO1 ZINC000262464839 533788175 /nfs/dbraw/zinc/78/81/75/533788175.db2.gz NKBDLKSKIJYSTL-LBPRGKRZSA-N 1 0 300.366 0.803 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCC2(S(C)(=O)=O)CCCC2)CCO1 ZINC000262666267 533788373 /nfs/dbraw/zinc/78/83/73/533788373.db2.gz OXFGLRDLMJTKRW-NSHDSACASA-N 1 0 303.428 0.379 10 30 DCEERO CC[C@@H]1CN(C(=O)c2cc(C#N)cn2C)CC[N@@H+]1C[C@H](C)O ZINC000246341400 523418389 /nfs/dbraw/zinc/41/83/89/523418389.db2.gz FINBADQCMCUQGQ-GXTWGEPZSA-N 1 0 304.394 0.814 10 30 DCEERO [NH2+]=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)NC1CC1 ZINC000263237488 534833542 /nfs/dbraw/zinc/83/35/42/534833542.db2.gz FIMLATVBDLLLLA-NSHDSACASA-N 1 0 314.397 0.407 10 30 DCEERO C[NH+]=C(NCCn1cccn1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000153281352 526367835 /nfs/dbraw/zinc/36/78/35/526367835.db2.gz GAQZTTNKYMEOKY-AWEZNQCLSA-N 1 0 317.397 0.266 10 30 DCEERO C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCC(OCC2CC2)CC1 ZINC000261825769 526373745 /nfs/dbraw/zinc/37/37/45/526373745.db2.gz UZGNNDKZVZOGJQ-MRXNPFEDSA-N 1 0 324.469 0.783 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)NC[C@@]1(C)CCCO1 ZINC000261699561 526373878 /nfs/dbraw/zinc/37/38/78/526373878.db2.gz FZOISUPOSRDZCH-XJKSGUPXSA-N 1 0 320.441 0.883 10 30 DCEERO C[NH+]=C(NCc1cn(CC(=O)OC)nn1)N1C[C@H](C)C[C@H](C)C1 ZINC000151540107 526388072 /nfs/dbraw/zinc/38/80/72/526388072.db2.gz TVYOGANJNRNHKV-TXEJJXNPSA-N 1 0 322.413 0.504 10 30 DCEERO C[NH+]=C(NCc1nc(C)no1)NCc1nnc2ccccn21 ZINC000263234906 526389965 /nfs/dbraw/zinc/38/99/65/526389965.db2.gz JCAWCYPRBDZCBS-UHFFFAOYSA-N 1 0 300.326 0.286 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CC(NC(=O)C3CCC3)C2)CC1 ZINC000188842918 526425346 /nfs/dbraw/zinc/42/53/46/526425346.db2.gz ATJIRCAUAUSODX-UHFFFAOYSA-N 1 0 320.437 0.947 10 30 DCEERO C#CCNC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCCC1 ZINC000262361816 526914356 /nfs/dbraw/zinc/91/43/56/526914356.db2.gz GYMSSLQMLVKJLK-CYBMUJFWSA-N 1 0 311.451 0.922 10 30 DCEERO C=CCNC(N[C@@H]1CCC[C@@H]1C#N)=[NH+]C[C@@H]1CCS(=O)(=O)C1 ZINC000262473247 526956814 /nfs/dbraw/zinc/95/68/14/526956814.db2.gz ZHPUIKWOBWZMJI-BFHYXJOUSA-N 1 0 324.450 0.835 10 30 DCEERO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000369121543 528708813 /nfs/dbraw/zinc/70/88/13/528708813.db2.gz GXXFWIXIUGWALM-HZSPNIEDSA-N 1 0 314.455 0.739 10 30 DCEERO CCOCC[N@@H+]1CCN(C(=O)Cn2cnc(C#N)n2)C[C@@H]1CC ZINC000178588136 528738897 /nfs/dbraw/zinc/73/88/97/528738897.db2.gz NIHPKUVVCDIRQV-ZDUSSCGKSA-N 1 0 320.397 0.109 10 30 DCEERO CC[NH+]=C(NCC1(O)CCC1)N[C@H]1CCc2nc(CC)nn2C1 ZINC000262777939 528803976 /nfs/dbraw/zinc/80/39/76/528803976.db2.gz KBSDLEUMUPCOQP-LBPRGKRZSA-N 1 0 320.441 0.625 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCCO1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261666735 528809475 /nfs/dbraw/zinc/80/94/75/528809475.db2.gz BNHNSGCFEZPDRR-BBRMVZONSA-N 1 0 308.426 0.733 10 30 DCEERO CC[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@H]1CCC(=O)NC1 ZINC000262817407 528814205 /nfs/dbraw/zinc/81/42/05/528814205.db2.gz XAVIHVUXRSIRSA-KBPBESRZSA-N 1 0 310.442 0.761 10 30 DCEERO CCNC(=[NH2+])NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000263292166 528941794 /nfs/dbraw/zinc/94/17/94/528941794.db2.gz WTYJAYVTCAHDAF-LLVKDONJSA-N 1 0 302.386 0.265 10 30 DCEERO C=CCn1cc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)nn1 ZINC000615274835 546317465 /nfs/dbraw/zinc/31/74/65/546317465.db2.gz KLHPXAJLRDITNO-KGLIPLIRSA-N 1 0 305.382 0.399 10 30 DCEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCNS(C)(=O)=O ZINC000178490340 660791832 /nfs/dbraw/zinc/79/18/32/660791832.db2.gz RTUCBPOOIJICCF-GFCCVEGCSA-N 1 0 304.412 0.203 10 30 DCEERO C[NH+]=C(NCCN1CCC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261840560 661744722 /nfs/dbraw/zinc/74/47/22/661744722.db2.gz WNHAAEBDCQTVMW-CQSZACIVSA-N 1 0 306.414 0.075 10 30 DCEERO C[NH+]=C(NC[C@@H](O)C(F)(F)F)N1CCC2(C1)CCOCC2 ZINC000262784061 662579994 /nfs/dbraw/zinc/57/99/94/662579994.db2.gz LWXZLMXHVOQBBS-SNVBAGLBSA-N 1 0 309.332 0.988 10 30 DCEERO C#CC1(O)CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000708121673 667441982 /nfs/dbraw/zinc/44/19/82/667441982.db2.gz HDSDCPXQCXFGNR-ZDUSSCGKSA-N 1 0 300.424 0.118 10 30 DCEERO C#CCC[NH+]1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000162482871 685139806 /nfs/dbraw/zinc/13/98/06/685139806.db2.gz PUCHRLRZEWTYRC-HNNXBMFYSA-N 1 0 313.467 0.299 10 30 DCEERO C[C@H](CNC(=O)c1cc(C#N)cn1C)C[NH+]1CCN(C)CC1 ZINC000081758487 192320591 /nfs/dbraw/zinc/32/05/91/192320591.db2.gz XWLNUYUDGRLFDC-CYBMUJFWSA-N 1 0 303.410 0.510 10 30 DCEERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1cccc(C#N)c1 ZINC000112548845 395819023 /nfs/dbraw/zinc/81/90/23/395819023.db2.gz FLBMBOBMCCCQGU-SWLSCSKDSA-N 1 0 302.378 0.805 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 ZINC000078959187 396258353 /nfs/dbraw/zinc/25/83/53/396258353.db2.gz SQFQSGLDOQUAHD-YUELXQCFSA-N 1 0 320.437 0.945 10 30 DCEERO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccnc(C#N)c1 ZINC000193214879 396446501 /nfs/dbraw/zinc/44/65/01/396446501.db2.gz PSQRBLPJRKDFQN-UHFFFAOYSA-N 1 0 301.394 0.663 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000595850657 396671121 /nfs/dbraw/zinc/67/11/21/396671121.db2.gz MXEGTWJKSCLUGH-OLZOCXBDSA-N 1 0 324.425 0.623 10 30 DCEERO C=CC[C@]1(C(=O)NCC2(C(=O)OC)CCOCC2)CCC[NH2+]1 ZINC000595954897 396694699 /nfs/dbraw/zinc/69/46/99/396694699.db2.gz WSJADQRBVVIFGM-MRXNPFEDSA-N 1 0 310.394 0.771 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592166129 397111740 /nfs/dbraw/zinc/11/17/40/397111740.db2.gz GCNSWOYRMJYUEU-FOGDFJRCSA-N 1 0 301.412 0.497 10 30 DCEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599567089 397473891 /nfs/dbraw/zinc/47/38/91/397473891.db2.gz LVVZFTHKYNPYJH-CJNGLKHVSA-N 1 0 310.394 0.839 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CC[C@H](C(=O)OC)[C@@H]2CCC[C@@H]21 ZINC000599649920 397496174 /nfs/dbraw/zinc/49/61/74/397496174.db2.gz FPRACQFOBJHXQC-AVGNSLFASA-N 1 0 323.393 0.662 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602886715 397512217 /nfs/dbraw/zinc/51/22/17/397512217.db2.gz CQCSLGIDNPTBAO-QWHCGFSZSA-N 1 0 320.397 0.705 10 30 DCEERO Cc1nc(C(=O)NC[C@H]2CN(C3CC3)CCO2)ccc1C#N ZINC000172116183 158390024 /nfs/dbraw/zinc/39/00/24/158390024.db2.gz YWZRDVRLDMVQNF-AWEZNQCLSA-N 1 0 300.362 0.855 10 30 DCEERO CC[C@@H](C)[NH+]=C(NCC(=O)N(C)C)N1CCN(C2CC2)C(=O)C1 ZINC000262319589 286753739 /nfs/dbraw/zinc/75/37/39/286753739.db2.gz RPQJYZMZGFKUBP-GFCCVEGCSA-N 1 0 323.441 0.125 10 30 DCEERO CC(C)[C@@H](CNC(=O)c1cc(C#N)cn1C)[NH+]1CCN(C)CC1 ZINC000081758219 415489963 /nfs/dbraw/zinc/48/99/63/415489963.db2.gz KPDJFLUGPWAAIL-MRXNPFEDSA-N 1 0 317.437 0.899 10 30 DCEERO C=CCN1CC[C@@H](N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000337197431 415927062 /nfs/dbraw/zinc/92/70/62/415927062.db2.gz XEHKGVUMXQYDBV-IAGOWNOFSA-N 1 0 320.481 0.875 10 30 DCEERO CC(=O)N1CCC[C@@](O)(C(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000329078217 416148184 /nfs/dbraw/zinc/14/81/84/416148184.db2.gz QIOHXJNYGNNTNM-INIZCTEOSA-N 1 0 309.410 0.968 10 30 DCEERO C[C@H]1OCC[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000330270318 416199629 /nfs/dbraw/zinc/19/96/29/416199629.db2.gz TYJXVARDVRNOTF-MGPQQGTHSA-N 1 0 324.425 0.316 10 30 DCEERO Cn1cc([C@@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)cn1 ZINC000329348609 416164783 /nfs/dbraw/zinc/16/47/83/416164783.db2.gz WCAGXIAPALCFBR-UKRRQHHQSA-N 1 0 320.441 0.369 10 30 DCEERO C=CC[N@@H+](CCOC)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000191074660 416284666 /nfs/dbraw/zinc/28/46/66/416284666.db2.gz FTMNLMHYNIGVAX-ZDUSSCGKSA-N 1 0 318.373 0.778 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000565122221 416926885 /nfs/dbraw/zinc/92/68/85/416926885.db2.gz GOCDLGOTZINULG-UHFFFAOYSA-N 1 0 311.426 0.638 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627270632 417321714 /nfs/dbraw/zinc/32/17/14/417321714.db2.gz KIBPNCFZZZFXBZ-ZNMIVQPWSA-N 1 0 309.410 0.125 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000627421428 417403982 /nfs/dbraw/zinc/40/39/82/417403982.db2.gz JLSJPBLWDVUROC-IHRRRGAJSA-N 1 0 309.410 0.150 10 30 DCEERO C=CCC[C@H](CO)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000456772476 417664389 /nfs/dbraw/zinc/66/43/89/417664389.db2.gz WWZJWQDMGJAZDT-CQSZACIVSA-N 1 0 318.421 0.890 10 30 DCEERO C[NH+]=C(NCc1ncccc1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000134181816 275409172 /nfs/dbraw/zinc/40/91/72/275409172.db2.gz MESWRUKOTRTXHE-OAHLLOKOSA-N 1 0 317.437 0.872 10 30 DCEERO CNC(=O)CNC(N[C@H]1CCc2cn(C(C)C)nc2C1)=[NH+]C ZINC000262008446 275410068 /nfs/dbraw/zinc/41/00/68/275410068.db2.gz WCFSGQDAZMMHCH-LBPRGKRZSA-N 1 0 306.414 0.232 10 30 DCEERO C[NH+]=C(NC[C@H](C)N1CCOCC1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261849289 277752091 /nfs/dbraw/zinc/75/20/91/277752091.db2.gz SPRUUYGGRGXRRV-MJBXVCDLSA-N 1 0 312.458 0.686 10 30 DCEERO CC[NH+]=C(NCCC(=O)OC)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261766034 278169616 /nfs/dbraw/zinc/16/96/16/278169616.db2.gz NLPXGCWSGFXKQK-OAHLLOKOSA-N 1 0 310.398 0.117 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000372589401 289238512 /nfs/dbraw/zinc/23/85/12/289238512.db2.gz UANACQUFQLBPSA-RDBSUJKOSA-N 1 0 314.455 0.881 10 30 DCEERO C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000574525195 332386090 /nfs/dbraw/zinc/38/60/90/332386090.db2.gz FOOFBUBIBGCXNN-OAHLLOKOSA-N 1 0 323.437 0.781 10 30 DCEERO CS(=O)(=O)N1CCC(CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000261620541 337608109 /nfs/dbraw/zinc/60/81/09/337608109.db2.gz HTDFXTMMCCCJID-UHFFFAOYSA-N 1 0 316.471 0.895 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000424549601 337858745 /nfs/dbraw/zinc/85/87/45/337858745.db2.gz RRNQCBOMUYYXHI-KBPBESRZSA-N 1 0 321.421 0.296 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000425868593 338017941 /nfs/dbraw/zinc/01/79/41/338017941.db2.gz IXGZFDSPDOMTHN-RDBSUJKOSA-N 1 0 311.426 0.540 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000425891846 338018456 /nfs/dbraw/zinc/01/84/56/338018456.db2.gz PQKCEOIQCKIYHN-JURCDPSOSA-N 1 0 321.421 0.293 10 30 DCEERO C=CCn1cc(CNC(=O)N[C@H]2CCc3[nH]cnc3C2)nn1 ZINC000564322088 341216334 /nfs/dbraw/zinc/21/63/34/341216334.db2.gz CWYXFYMVDATEEU-JTQLQIEISA-N 1 0 301.354 0.544 10 30 DCEERO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000079852145 341266733 /nfs/dbraw/zinc/26/67/33/341266733.db2.gz TVMNMOAORCHTBV-ZDUSSCGKSA-N 1 0 308.426 0.795 10 30 DCEERO C[NH+]=C(NCC(=O)OC(C)(C)C)N[C@H]1CCCn2nc(C)nc21 ZINC000262781098 526348627 /nfs/dbraw/zinc/34/86/27/526348627.db2.gz LBEXCDYVZLNEKA-NSHDSACASA-N 1 0 322.413 0.928 10 30 DCEERO C[NH+]=C(NCC1CCOCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000179203726 526353435 /nfs/dbraw/zinc/35/34/35/526353435.db2.gz RJSMAUOPQXXQJS-UHFFFAOYSA-N 1 0 317.455 0.497 10 30 DCEERO C[NH+]=C(NCCC1CCOCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261712966 526353893 /nfs/dbraw/zinc/35/38/93/526353893.db2.gz HMDPZFUQKPXJOX-KRWDZBQOSA-N 1 0 322.453 0.981 10 30 DCEERO C[NH+]=C(NCCN(C)C1CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262431013 526354836 /nfs/dbraw/zinc/35/48/36/526354836.db2.gz DZOFMXBHLITSEE-OAHLLOKOSA-N 1 0 309.458 0.063 10 30 DCEERO C[NH+]=C(NCCc1nc(C)no1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261780395 526366419 /nfs/dbraw/zinc/36/64/19/526366419.db2.gz PFNNXBFPIUIVJN-OAHLLOKOSA-N 1 0 320.397 0.098 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@H]1O)NC1CCN(C(=O)C2CC2)CC1 ZINC000262762753 526371580 /nfs/dbraw/zinc/37/15/80/526371580.db2.gz DXDAFLWJEARAJI-DZGCQCFKSA-N 1 0 322.453 0.713 10 30 DCEERO C[NH+]=C(NC[C@@]1(C)CCOC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262014034 526374352 /nfs/dbraw/zinc/37/43/52/526374352.db2.gz XFJDMSSTOBBRBJ-CQSZACIVSA-N 1 0 317.455 0.497 10 30 DCEERO C[NH+]=C(NCc1c(C)noc1C)NC[C@](C)(O)c1cnn(C)c1 ZINC000262325636 526379787 /nfs/dbraw/zinc/37/97/87/526379787.db2.gz DJTCWXKCSACRPX-HNNXBMFYSA-N 1 0 320.397 0.598 10 30 DCEERO C[NH+]=C(NCc1ccnc(C)n1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261710271 526385924 /nfs/dbraw/zinc/38/59/24/526385924.db2.gz HBZNNNSVHCBXPF-MRXNPFEDSA-N 1 0 316.409 0.463 10 30 DCEERO C[NH+]=C(NCc1nnc(C(C)C)s1)NCc1nnc(C)n1C ZINC000261799501 526391650 /nfs/dbraw/zinc/39/16/50/526391650.db2.gz RIUMBVCECQEFTE-UHFFFAOYSA-N 1 0 322.442 0.964 10 30 DCEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261948797 526394812 /nfs/dbraw/zinc/39/48/12/526394812.db2.gz GRNHELHRBSRAGZ-CYBMUJFWSA-N 1 0 309.458 0.456 10 30 DCEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173934907 527629357 /nfs/dbraw/zinc/62/93/57/527629357.db2.gz ZSMPBFNCAVNLQI-CVEARBPZSA-N 1 0 307.438 0.982 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CCc2ncnn2C1 ZINC000262780060 528809048 /nfs/dbraw/zinc/80/90/48/528809048.db2.gz KMJUISAXJYUGTH-AVGNSLFASA-N 1 0 306.414 0.309 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261658232 528811278 /nfs/dbraw/zinc/81/12/78/528811278.db2.gz FTKPUMOGXLDVAD-MGPQQGTHSA-N 1 0 312.458 0.686 10 30 DCEERO CC1(C)CC[C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)O1 ZINC000262403279 529038232 /nfs/dbraw/zinc/03/82/32/529038232.db2.gz AFIXKAGYFKFSPA-CYBMUJFWSA-N 1 0 318.425 0.871 10 30 DCEERO CC[NH+]1CCN(CCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000369220646 529140981 /nfs/dbraw/zinc/14/09/81/529140981.db2.gz LDRUUCYWKLMUIS-INIZCTEOSA-N 1 0 319.453 0.213 10 30 DCEERO CC[C@@H]1CN(C(=O)NCc2cnnn2C)CC[N@@H+]1CCOC ZINC000329281822 659111910 /nfs/dbraw/zinc/11/19/10/659111910.db2.gz FBQUUFSAIZGEDG-GFCCVEGCSA-N 1 0 310.402 0.272 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CCC(=O)N(C)C1 ZINC000261602778 661316964 /nfs/dbraw/zinc/31/69/64/661316964.db2.gz CLPWTQXTLQVMPM-OSRDXIQISA-N 1 0 320.437 0.730 10 30 DCEERO C[NH+]=C(NCCn1cncn1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261638632 661338737 /nfs/dbraw/zinc/33/87/37/661338737.db2.gz ABMHYKBBJJEMSK-UHFFFAOYSA-N 1 0 321.429 0.185 10 30 DCEERO C[NH+]=C(NC[C@@H](O)c1ccccc1)N1CCN(C2CC2)C(=O)C1 ZINC000262780973 662579521 /nfs/dbraw/zinc/57/95/21/662579521.db2.gz KXESGZLCRNGXPG-OAHLLOKOSA-N 1 0 316.405 0.602 10 30 DCEERO C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CCN(C2CC2)C(=O)C1 ZINC000262791298 662581476 /nfs/dbraw/zinc/58/14/76/662581476.db2.gz ODQFPHNRUASWCL-YOEHRIQHSA-N 1 0 322.453 0.810 10 30 DCEERO N#Cc1ccc2ncc(C[NH2+]CCC(=O)N3CCOCC3)n2c1 ZINC000123395546 667771877 /nfs/dbraw/zinc/77/18/77/667771877.db2.gz YSUOBOCNPPNDHV-UHFFFAOYSA-N 1 0 313.361 0.544 10 30 DCEERO C[NH+](C)[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1n1ccnn1 ZINC000858758083 671039241 /nfs/dbraw/zinc/03/92/41/671039241.db2.gz GFYRQTRDTAZDHR-OLZOCXBDSA-N 1 0 301.329 0.675 10 30 DCEERO C[NH+]=C(NCCN1CCOCC1)N[C@H]1COc2ccc(F)cc21 ZINC000262415611 530039206 /nfs/dbraw/zinc/03/92/06/530039206.db2.gz QCGFPIXVUMMPBE-AWEZNQCLSA-N 1 0 322.384 0.756 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000282341061 334991654 /nfs/dbraw/zinc/99/16/54/334991654.db2.gz ZPVGDVMMSAZPSJ-ZDUSSCGKSA-N 1 0 308.426 0.899 10 30 DCEERO [NH2+]=C(NC[C@H]1CS(=O)(=O)CCO1)NC1CCCCCC1 ZINC000261980029 238169902 /nfs/dbraw/zinc/16/99/02/238169902.db2.gz HRMAAAQRCFEGJB-LBPRGKRZSA-N 1 0 303.428 0.427 10 30 DCEERO [NH2+]=C(NCCNC(=O)c1cnccn1)NC1CCCCCC1 ZINC000262017400 238170474 /nfs/dbraw/zinc/17/04/74/238170474.db2.gz WQWQKOLUIUSFKN-UHFFFAOYSA-N 1 0 304.398 0.834 10 30 DCEERO [NH2+]=C(NCc1cccc(N2CCOCC2)n1)NC[C@H]1CCCO1 ZINC000262532405 238176338 /nfs/dbraw/zinc/17/63/38/238176338.db2.gz PUUDLJOHYVPYDU-CQSZACIVSA-N 1 0 319.409 0.502 10 30 DCEERO [NH2+]=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)NC1CC1 ZINC000263237487 238186254 /nfs/dbraw/zinc/18/62/54/238186254.db2.gz FIMLATVBDLLLLA-LLVKDONJSA-N 1 0 314.397 0.407 10 30 DCEERO N#Cc1cc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)ccn1 ZINC000193602926 395773542 /nfs/dbraw/zinc/77/35/42/395773542.db2.gz SHBHPNPQGZEISV-HNNXBMFYSA-N 1 0 302.378 0.920 10 30 DCEERO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000261614140 396049477 /nfs/dbraw/zinc/04/94/77/396049477.db2.gz ARYQDJALIZPBLM-ZYHUDNBSSA-N 1 0 309.391 0.843 10 30 DCEERO C=C(C)COCCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584711874 396616537 /nfs/dbraw/zinc/61/65/37/396616537.db2.gz AONBSFPLJPQUDX-MRXNPFEDSA-N 1 0 309.410 0.297 10 30 DCEERO C=CC[C@@]1(C(=O)N2CCCN(CC(=O)OCC)CC2)CCC[NH2+]1 ZINC000595950159 396692482 /nfs/dbraw/zinc/69/24/82/396692482.db2.gz BAFWGYUERUIDHB-KRWDZBQOSA-N 1 0 323.437 0.782 10 30 DCEERO CO[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)[C@@](C)(C[NH3+])C1 ZINC000600886657 396963428 /nfs/dbraw/zinc/96/34/28/396963428.db2.gz SUGALTXTNAJPHX-BXKDBHETSA-N 1 0 315.420 0.747 10 30 DCEERO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000613063187 397186342 /nfs/dbraw/zinc/18/63/42/397186342.db2.gz NQRMJLXIPXEIMS-HNNXBMFYSA-N 1 0 306.341 0.563 10 30 DCEERO C=C(C)C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)OC ZINC000601786743 397244442 /nfs/dbraw/zinc/24/44/42/397244442.db2.gz ZHFWSKKZWXOUKR-ZDUSSCGKSA-N 1 0 308.382 0.682 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620474582 397276488 /nfs/dbraw/zinc/27/64/88/397276488.db2.gz HHPUNLRFFFYASG-HZPDHXFCSA-N 1 0 323.437 0.515 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C ZINC000614191668 397395935 /nfs/dbraw/zinc/39/59/35/397395935.db2.gz CDBUVNHMEOIIGS-DGCLKSJQSA-N 1 0 322.409 0.235 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1CC ZINC000614202105 397398676 /nfs/dbraw/zinc/39/86/76/397398676.db2.gz KQXAAHSOVXQIKC-QWHCGFSZSA-N 1 0 310.398 0.235 10 30 DCEERO Cn1cc(C#N)cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000081845032 158085557 /nfs/dbraw/zinc/08/55/57/158085557.db2.gz MLBXSLFGFJMFTA-CYBMUJFWSA-N 1 0 302.378 0.691 10 30 DCEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N(C)CCC#N ZINC000408233848 287230455 /nfs/dbraw/zinc/23/04/55/287230455.db2.gz YCAWQSXBMFJYOH-OLZOCXBDSA-N 1 0 300.428 0.635 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCCO2)CC1 ZINC000286867027 415640637 /nfs/dbraw/zinc/64/06/37/415640637.db2.gz ZZZFCSRQTKZVQY-AWEZNQCLSA-N 1 0 309.410 0.390 10 30 DCEERO C#Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000296412114 415927048 /nfs/dbraw/zinc/92/70/48/415927048.db2.gz KMTCEAWYDXMDFG-INIZCTEOSA-N 1 0 313.401 0.694 10 30 DCEERO Cc1nc([C@@H]2CCCN2C(=O)NC[C@H]2CN(C)CCO2)no1 ZINC000329369213 416166296 /nfs/dbraw/zinc/16/62/96/416166296.db2.gz JJXGVDAEUYFDGD-RYUDHWBXSA-N 1 0 309.370 0.760 10 30 DCEERO CC[C@@H]1CN(CC(=O)N(CC)C[C@H](C)C#N)CC[N@@H+]1C[C@@H](C)O ZINC000247397133 416332718 /nfs/dbraw/zinc/33/27/18/416332718.db2.gz XWWSEAXHRBYPLP-BZUAXINKSA-N 1 0 324.469 0.772 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000612659467 416672515 /nfs/dbraw/zinc/67/25/15/416672515.db2.gz PCBPFLSBPGHUBP-GJZGRUSLSA-N 1 0 311.426 0.420 10 30 DCEERO C=CCOC[C@H]1NC(=O)N(Cc2ccc3c[nH+]cn3c2)C1=O ZINC000557303754 416730618 /nfs/dbraw/zinc/73/06/18/416730618.db2.gz XIPWEYGWAKSNRR-CYBMUJFWSA-N 1 0 300.318 0.957 10 30 DCEERO C=CCCC(C)(C)CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000632658250 417217316 /nfs/dbraw/zinc/21/73/16/417217316.db2.gz MZFFWZSMKGPSHV-UONOGXRCSA-N 1 0 323.437 0.372 10 30 DCEERO CN1CCO[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262011820 277119376 /nfs/dbraw/zinc/11/93/76/277119376.db2.gz UJDCNSDKDGXFSY-ZDUSSCGKSA-N 1 0 320.393 0.905 10 30 DCEERO C[NH+]=C(NCC(C)(C)OC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261984888 277749622 /nfs/dbraw/zinc/74/96/22/277749622.db2.gz PUDMVTZOXHVGMD-UHFFFAOYSA-N 1 0 305.444 0.496 10 30 DCEERO C[NH+]=C(NC[C@H](C)N1CCOCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262394934 277752237 /nfs/dbraw/zinc/75/22/37/277752237.db2.gz JBFBJTKPZOEAEQ-XQLPTFJDSA-N 1 0 324.469 0.686 10 30 DCEERO C[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@H+](C)C1CC1 ZINC000363405837 278272086 /nfs/dbraw/zinc/27/20/86/278272086.db2.gz IWGWWBWWSXDOSV-WFASDCNBSA-N 1 0 305.426 0.851 10 30 DCEERO CN1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1C#N ZINC000329950457 336098868 /nfs/dbraw/zinc/09/88/68/336098868.db2.gz MINFTNKUOZLPJD-TZMCWYRMSA-N 1 0 311.455 0.477 10 30 DCEERO CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)CC[NH+]1CCCC1 ZINC000330132063 336116358 /nfs/dbraw/zinc/11/63/58/336116358.db2.gz FXNYYWAMXSNXRN-VXGBXAGGSA-N 1 0 303.428 0.757 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000043587030 336267296 /nfs/dbraw/zinc/26/72/96/336267296.db2.gz MPPOQCYLGAVDLY-LLVKDONJSA-N 1 0 310.398 0.187 10 30 DCEERO C=CC[C@H](CO)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418606299 337387219 /nfs/dbraw/zinc/38/72/19/337387219.db2.gz BMXJXGORSWQZKW-GHMZBOCLSA-N 1 0 324.347 0.059 10 30 DCEERO C=CC[C@@H](CO)NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418606309 337387257 /nfs/dbraw/zinc/38/72/57/337387257.db2.gz BMXJXGORSWQZKW-WDEREUQCSA-N 1 0 324.347 0.059 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000424540999 337855903 /nfs/dbraw/zinc/85/59/03/337855903.db2.gz GTEBNUSYTSVUID-FQUUOJAGSA-N 1 0 309.410 0.422 10 30 DCEERO COC[C@@H](C)NC(=[NH2+])NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000087001555 337855943 /nfs/dbraw/zinc/85/59/43/337855943.db2.gz GIAHRFYJTXTZEG-LLVKDONJSA-N 1 0 318.381 0.715 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000425903264 338018638 /nfs/dbraw/zinc/01/86/38/338018638.db2.gz XXMKXQCWXSCAQR-JSGCOSHPSA-N 1 0 309.410 0.246 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000425907665 338018739 /nfs/dbraw/zinc/01/87/39/338018739.db2.gz DAOGANDXVYRPNI-KBPBESRZSA-N 1 0 309.410 0.248 10 30 DCEERO CN1C(=O)C[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000192154699 340563514 /nfs/dbraw/zinc/56/35/14/340563514.db2.gz JTKLQXSVZFDMPO-WFASDCNBSA-N 1 0 320.780 0.841 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCc2cccnc2-n2ccnc2)CCO1 ZINC000262506175 533788891 /nfs/dbraw/zinc/78/88/91/533788891.db2.gz ZWORGUWFMXQPLO-LBPRGKRZSA-N 1 0 300.366 0.803 10 30 DCEERO C[C@H]1CN(C(=O)c2cc(C#N)cn2C)CC[N@@H+]1CC(C)(C)O ZINC000186935841 533873079 /nfs/dbraw/zinc/87/30/79/533873079.db2.gz XJCCQTHPMOXCRY-LBPRGKRZSA-N 1 0 304.394 0.814 10 30 DCEERO Cc1cc(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)on1 ZINC000262671783 534152999 /nfs/dbraw/zinc/15/29/99/534152999.db2.gz RIWIWKWBIUXCAB-UHFFFAOYSA-N 1 0 315.381 0.452 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCc2cccnc2-n2ccnc2)CCO1 ZINC000262506173 534271596 /nfs/dbraw/zinc/27/15/96/534271596.db2.gz ZWORGUWFMXQPLO-GFCCVEGCSA-N 1 0 300.366 0.803 10 30 DCEERO C=CCN(CCOC)C(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420121502 534833374 /nfs/dbraw/zinc/83/33/74/534833374.db2.gz KHZNFVNNBSJPDY-ZDUSSCGKSA-N 1 0 319.405 0.984 10 30 DCEERO CNC(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)=[NH+]C ZINC000262182817 526344046 /nfs/dbraw/zinc/34/40/46/526344046.db2.gz WZHQJDMLFUWSEP-JTQLQIEISA-N 1 0 316.452 0.554 10 30 DCEERO C[NH+]=C(NCC(=O)NC(C)(C)C)NCc1cn2ccccc2n1 ZINC000262155939 526345862 /nfs/dbraw/zinc/34/58/62/526345862.db2.gz AKXVTBQOLZAYHA-UHFFFAOYSA-N 1 0 316.409 0.914 10 30 DCEERO C[NH+]=C(NCC1(CCO)CCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000262825379 526349701 /nfs/dbraw/zinc/34/97/01/526349701.db2.gz XZTJREXHHQQBAK-UHFFFAOYSA-N 1 0 322.453 0.811 10 30 DCEERO C[NH+]=C(NCCNC(C)=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261962677 526360724 /nfs/dbraw/zinc/36/07/24/526360724.db2.gz PLAUDCNPJCNPKF-UHFFFAOYSA-N 1 0 311.430 0.029 10 30 DCEERO C[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262475668 526373397 /nfs/dbraw/zinc/37/33/97/526373397.db2.gz QBEKZEPNADLXOU-GXTWGEPZSA-N 1 0 307.398 0.200 10 30 DCEERO C[NH+]=C(NCc1ccn(C)c1)NC[C@](C)(O)c1cnn(C)c1 ZINC000262377344 526386270 /nfs/dbraw/zinc/38/62/70/526386270.db2.gz JSVURRUGHRRXHV-HNNXBMFYSA-N 1 0 304.398 0.331 10 30 DCEERO C#CCSCCNC(=[NH+]CC)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261855404 527135721 /nfs/dbraw/zinc/13/57/21/527135721.db2.gz YREAIGBUCCZCHI-INIZCTEOSA-N 1 0 322.478 0.920 10 30 DCEERO C=CCC[C@H](O)C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377766047 527490259 /nfs/dbraw/zinc/49/02/59/527490259.db2.gz KCUUYGPTODZLGZ-ZDUSSCGKSA-N 1 0 305.444 0.128 10 30 DCEERO CCC(=O)N1CC[C@H](NC(NCC(=O)NC(C)(C)C)=[NH+]C)C1 ZINC000261952010 528368925 /nfs/dbraw/zinc/36/89/25/528368925.db2.gz HQYBPNBRBUXFKS-NSHDSACASA-N 1 0 311.430 0.077 10 30 DCEERO CC[NH+]=C(NCCN1CCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261970931 528804992 /nfs/dbraw/zinc/80/49/92/528804992.db2.gz MTSSSNKWBBIAPO-UHFFFAOYSA-N 1 0 316.471 0.167 10 30 DCEERO CC[NH+]=C(NCc1cnn(C)c1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261730816 528817934 /nfs/dbraw/zinc/81/79/34/528817934.db2.gz JLXPAQGYYUACPC-MRXNPFEDSA-N 1 0 318.425 0.488 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CCC(=O)N(C)C1 ZINC000261602776 661316829 /nfs/dbraw/zinc/31/68/29/661316829.db2.gz CLPWTQXTLQVMPM-AYRXBEOTSA-N 1 0 320.437 0.730 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCC(=O)N(C)Cc2ccccc2)CCO1 ZINC000262436315 662385695 /nfs/dbraw/zinc/38/56/95/662385695.db2.gz GJGIIYHDFMZPRN-CYBMUJFWSA-N 1 0 304.394 0.680 10 30 DCEERO C[NH+]=C(NCC(=O)NC1CCCCC1)NCc1ccnn1C ZINC000083849108 662972313 /nfs/dbraw/zinc/97/23/13/662972313.db2.gz JHCUKIVXFMAPJD-UHFFFAOYSA-N 1 0 306.414 0.534 10 30 DCEERO Cc1c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cnn1CCC#N ZINC000826719405 668138312 /nfs/dbraw/zinc/13/83/12/668138312.db2.gz ZIVXLHVIUJSMBD-LSDHHAIUSA-N 1 0 317.393 0.650 10 30 DCEERO C[NH+](C)[C@@H]1CN(C(=O)c2ccc(CC#N)cc2)C[C@@H]1n1ccnn1 ZINC000826738058 668138326 /nfs/dbraw/zinc/13/83/26/668138326.db2.gz IRGXOQGYJKLNQI-CVEARBPZSA-N 1 0 324.388 0.971 10 30 DCEERO C[NH+]=C(NCCN1CCOCC1)NCc1ccc(Cl)cn1 ZINC000305770065 685217386 /nfs/dbraw/zinc/21/73/86/685217386.db2.gz JOAKWMBOBLZTDC-UHFFFAOYSA-N 1 0 311.817 0.732 10 30 DCEERO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=[NH2+])NCCc2cccs2)O1 ZINC000305765962 685217698 /nfs/dbraw/zinc/21/76/98/685217698.db2.gz HHQBXAAEAPUAHB-WCQYABFASA-N 1 0 324.450 0.831 10 30 DCEERO CS(=O)(=O)c1ccc(NC(=O)C[N+]23CCN(CC2)CC3)cc1 ZINC000029225143 717117412 /nfs/dbraw/zinc/11/74/12/717117412.db2.gz LTSOVZLKACTVIR-UHFFFAOYSA-O 1 0 324.426 0.175 10 30 DCEERO CC[C@@H]1CN(CC(=O)N(CC)CCC#N)CC[N@@H+]1C[C@H](C)O ZINC000247042261 529385476 /nfs/dbraw/zinc/38/54/76/529385476.db2.gz DVPWJJCVLMFRBL-LSDHHAIUSA-N 1 0 310.442 0.526 10 30 DCEERO CC[C@H](CO)[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000072797944 191229936 /nfs/dbraw/zinc/22/99/36/191229936.db2.gz FJVBBSZWQNQZSP-CYBMUJFWSA-N 1 0 322.434 0.947 10 30 DCEERO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCN(c3nccn4cnnc34)C2)N1 ZINC000262654278 238177672 /nfs/dbraw/zinc/17/76/72/238177672.db2.gz LDOIISAMXOJPEC-NEPJUHHUSA-N 1 0 314.397 0.278 10 30 DCEERO [NH2+]=C(NCc1ccnc(N2CCOCC2)c1)NC[C@H]1CCCO1 ZINC000261763623 238165990 /nfs/dbraw/zinc/16/59/90/238165990.db2.gz LRAGTCXKPMMSFL-CQSZACIVSA-N 1 0 319.409 0.502 10 30 DCEERO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=[NH2+])NC1CCC1 ZINC000263173421 238186083 /nfs/dbraw/zinc/18/60/83/238186083.db2.gz SKPZWADOHIHPNU-LBPRGKRZSA-N 1 0 317.459 0.104 10 30 DCEERO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=[NH2+])NC1CCC1 ZINC000263173420 238186130 /nfs/dbraw/zinc/18/61/30/238186130.db2.gz SKPZWADOHIHPNU-GFCCVEGCSA-N 1 0 317.459 0.104 10 30 DCEERO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000369121545 285048524 /nfs/dbraw/zinc/04/85/24/285048524.db2.gz GXXFWIXIUGWALM-MGPQQGTHSA-N 1 0 314.455 0.739 10 30 DCEERO CCOC(=O)[C@H](Cn1ccc(=O)[nH]c1=S)[n+]1ccccc1 ZINC000005399869 395682807 /nfs/dbraw/zinc/68/28/07/395682807.db2.gz FGUUQUYMAUCLFS-NSHDSACASA-O 1 0 306.367 0.998 10 30 DCEERO C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000273377578 395916909 /nfs/dbraw/zinc/91/69/09/395916909.db2.gz DCOCENMHVYMYIA-HNNXBMFYSA-N 1 0 319.405 0.782 10 30 DCEERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2sccc2C#N)CCO1 ZINC000155325730 396049686 /nfs/dbraw/zinc/04/96/86/396049686.db2.gz MYLRVYZQZULDSY-GFCCVEGCSA-N 1 0 308.407 0.821 10 30 DCEERO N#Cc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1F ZINC000261790770 396066616 /nfs/dbraw/zinc/06/66/16/396066616.db2.gz XUYVYRNXCRDZKG-CMPLNLGQSA-N 1 0 309.366 0.927 10 30 DCEERO C=CCCSCCNC(=O)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000595197413 396562857 /nfs/dbraw/zinc/56/28/57/396562857.db2.gz RIDMHBWPGAEZRE-ZDUSSCGKSA-N 1 0 313.467 0.965 10 30 DCEERO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586812017 396667232 /nfs/dbraw/zinc/66/72/32/396667232.db2.gz QFRGASIQFKZDID-NSHDSACASA-N 1 0 320.368 0.770 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000595850659 396671156 /nfs/dbraw/zinc/67/11/56/396671156.db2.gz MXEGTWJKSCLUGH-CHWSQXEVSA-N 1 0 324.425 0.623 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595769896 396660085 /nfs/dbraw/zinc/66/00/85/396660085.db2.gz VNPJWWUAGUHMBV-ZIAGYGMSSA-N 1 0 319.409 0.733 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000611640387 396901101 /nfs/dbraw/zinc/90/11/01/396901101.db2.gz HEOTYQZWPCQYOU-CHWSQXEVSA-N 1 0 309.410 0.437 10 30 DCEERO C=CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000630795430 397106307 /nfs/dbraw/zinc/10/63/07/397106307.db2.gz DFBQSSNLQHYGRD-HZSPNIEDSA-N 1 0 314.451 0.918 10 30 DCEERO C[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)n1cnc(C#N)n1 ZINC000619590469 397154041 /nfs/dbraw/zinc/15/40/41/397154041.db2.gz UIYGFCIFEZIWDC-JTQLQIEISA-N 1 0 302.342 0.108 10 30 DCEERO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)n1cnc(C#N)n1 ZINC000619613568 397159760 /nfs/dbraw/zinc/15/97/60/397159760.db2.gz RPKGJLBSGRFTGP-OLZOCXBDSA-N 1 0 302.382 0.655 10 30 DCEERO C=C(C)C[C@@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C(=O)OC ZINC000602599407 397447127 /nfs/dbraw/zinc/44/71/27/397447127.db2.gz IZRHBRMWAMQZKF-GXFFZTMASA-N 1 0 306.366 0.724 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000579951203 397599884 /nfs/dbraw/zinc/59/98/84/397599884.db2.gz VOGRAJFHGNHTHK-PMPSAXMXSA-N 1 0 323.437 0.941 10 30 DCEERO C[NH+](C)CCn1cc(NC(=O)NC2CCN(CC#N)CC2)cn1 ZINC000610478427 397824994 /nfs/dbraw/zinc/82/49/94/397824994.db2.gz XVFQOMXAWJGBQS-UHFFFAOYSA-N 1 0 319.413 0.554 10 30 DCEERO N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000170812258 158377048 /nfs/dbraw/zinc/37/70/48/158377048.db2.gz RIADLMMFRRUACN-IRXDYDNUSA-N 1 0 301.390 0.998 10 30 DCEERO COCCN1CCN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1C ZINC000105834162 415636944 /nfs/dbraw/zinc/63/69/44/415636944.db2.gz KPPPSGSQEZSNFB-HNNXBMFYSA-N 1 0 321.425 0.295 10 30 DCEERO CC[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@@H+]1CCOC ZINC000105836236 415637605 /nfs/dbraw/zinc/63/76/05/415637605.db2.gz RGPOLJDHIOQPIQ-WBVHZDCISA-N 1 0 322.453 0.837 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CCOC)[C@@H](C)C1 ZINC000105833558 415637659 /nfs/dbraw/zinc/63/76/59/415637659.db2.gz OQSIIEQOLXDKEK-STQMWFEESA-N 1 0 312.414 0.039 10 30 DCEERO C#CCNC(=O)[C@H](C)N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000105865259 415637921 /nfs/dbraw/zinc/63/79/21/415637921.db2.gz KKMLTKXAGGSYGI-QWHCGFSZSA-N 1 0 319.409 0.449 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000112749363 415716917 /nfs/dbraw/zinc/71/69/17/415716917.db2.gz FOKHFOKBKXDHBS-CQSZACIVSA-N 1 0 318.425 0.933 10 30 DCEERO C=C(C)CN(CC)C(=O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116890471 415731109 /nfs/dbraw/zinc/73/11/09/415731109.db2.gz XRFQRJIKZLILKT-GFCCVEGCSA-N 1 0 303.428 0.035 10 30 DCEERO CC(C)(CCC#N)C[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000119984187 415757667 /nfs/dbraw/zinc/75/76/67/415757667.db2.gz LTQGCRBNHSGCAA-UHFFFAOYSA-N 1 0 322.453 0.793 10 30 DCEERO CCc1nc(CCNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)no1 ZINC000328845367 416135958 /nfs/dbraw/zinc/13/59/58/416135958.db2.gz AFVAGKJRDKGIBC-NEPJUHHUSA-N 1 0 323.397 0.493 10 30 DCEERO [O-]C(=[NH+][C@H]1COC[C@H]1n1ccnn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000329393335 416166360 /nfs/dbraw/zinc/16/63/60/416166360.db2.gz UQPBEDYPHKMUJD-MELADBBJSA-N 1 0 320.397 0.302 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195517645 416326517 /nfs/dbraw/zinc/32/65/17/416326517.db2.gz HUYHLIFZEMBTTA-GFCCVEGCSA-N 1 0 321.381 0.644 10 30 DCEERO C=CCCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000448388944 417074345 /nfs/dbraw/zinc/07/43/45/417074345.db2.gz QMQMSEQSTARGRT-AWEZNQCLSA-N 1 0 308.426 0.901 10 30 DCEERO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000408403204 417159067 /nfs/dbraw/zinc/15/90/67/417159067.db2.gz TYRDGYAYURDXHS-WQVCFCJDSA-N 1 0 306.410 0.641 10 30 DCEERO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(C#N)n1C ZINC000450967135 417288088 /nfs/dbraw/zinc/28/80/88/417288088.db2.gz LALOYAVVTWVFOX-GFCCVEGCSA-N 1 0 304.394 0.814 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627270630 417322322 /nfs/dbraw/zinc/32/23/22/417322322.db2.gz KIBPNCFZZZFXBZ-KFWWJZLASA-N 1 0 309.410 0.125 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627290237 417333606 /nfs/dbraw/zinc/33/36/06/417333606.db2.gz IVQQCPOWHCQTIU-MQYQWHSLSA-N 1 0 309.410 0.341 10 30 DCEERO C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000627412467 417400115 /nfs/dbraw/zinc/40/01/15/417400115.db2.gz MMSZGJHUNZWRLI-RYUDHWBXSA-N 1 0 311.426 0.934 10 30 DCEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452606 417419639 /nfs/dbraw/zinc/41/96/39/417419639.db2.gz OMIDVDNFPBDVIR-KGLIPLIRSA-N 1 0 323.437 0.862 10 30 DCEERO C=CCCNC(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000635209376 417608266 /nfs/dbraw/zinc/60/82/66/417608266.db2.gz PABBHXOCQJOXRX-UHFFFAOYSA-N 1 0 305.382 0.781 10 30 DCEERO C[N@@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4ncnn4C3)[C@H]2C1 ZINC000329285825 277139249 /nfs/dbraw/zinc/13/92/49/277139249.db2.gz ONXHQALUJBETRI-UPJWGTAASA-N 1 0 304.398 0.533 10 30 DCEERO CO[C@@H]1COC[C@H]1n1cc(CNC(=[NH2+])N2CCCCCC2)nn1 ZINC000262358544 277304014 /nfs/dbraw/zinc/30/40/14/277304014.db2.gz ICBGTBVYCGMAQY-ZIAGYGMSSA-N 1 0 322.413 0.555 10 30 DCEERO C=CCNC(NCC(=O)N(C)C)=[NH+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000162043440 277821034 /nfs/dbraw/zinc/82/10/34/277821034.db2.gz KTHSLKVLZREPKA-CFVMTHIKSA-N 1 0 320.437 0.753 10 30 DCEERO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)n1cnc(C#N)n1 ZINC000547386033 288041918 /nfs/dbraw/zinc/04/19/18/288041918.db2.gz CMSRSOITZANYBZ-CHWSQXEVSA-N 1 0 302.382 0.798 10 30 DCEERO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000408403201 280103498 /nfs/dbraw/zinc/10/34/98/280103498.db2.gz TYRDGYAYURDXHS-DAXOMENPSA-N 1 0 306.410 0.641 10 30 DCEERO C=CC[C@@H](CO)C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000519539153 335875085 /nfs/dbraw/zinc/87/50/85/335875085.db2.gz DOVMCQGHLNWNRC-CHWSQXEVSA-N 1 0 309.362 0.929 10 30 DCEERO CCC(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000329968594 336100974 /nfs/dbraw/zinc/10/09/74/336100974.db2.gz TZNAOAVSGHIZNU-GFCCVEGCSA-N 1 0 315.439 0.977 10 30 DCEERO C[C@H](CNC(=O)c1cnn2ccncc12)C[NH+]1CCN(C)CC1 ZINC000330041202 336108776 /nfs/dbraw/zinc/10/87/76/336108776.db2.gz BODIHCXWVVGPQB-CYBMUJFWSA-N 1 0 316.409 0.917 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCc2nc(-c3ccccn3)n[nH]2)CCO1 ZINC000263135004 533787162 /nfs/dbraw/zinc/78/71/62/533787162.db2.gz NNVFRKXYHHPLSU-JTQLQIEISA-N 1 0 301.354 0.402 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCc2cccc(N3CCOCC3)n2)CCO1 ZINC000262465123 533787552 /nfs/dbraw/zinc/78/75/52/533787552.db2.gz NNZLNTSAZNBXJK-ZDUSSCGKSA-N 1 0 319.409 0.454 10 30 DCEERO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)CCCC#N)CC1 ZINC000161461244 534077333 /nfs/dbraw/zinc/07/73/33/534077333.db2.gz KBBVFVWCDBFQLS-ZDUSSCGKSA-N 1 0 317.455 0.645 10 30 DCEERO CNC(NCCNS(=O)(=O)c1ccc(Cl)cc1F)=[NH+]C ZINC000262812382 526344507 /nfs/dbraw/zinc/34/45/07/526344507.db2.gz VLEPRVXRYJBHQJ-UHFFFAOYSA-N 1 0 322.793 0.552 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261838663 526370380 /nfs/dbraw/zinc/37/03/80/526370380.db2.gz WJOSZZSWXMBLEH-HEHGZKQESA-N 1 0 308.426 0.325 10 30 DCEERO C[NH+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCc2nnc(C)n2C1 ZINC000262442329 526377252 /nfs/dbraw/zinc/37/72/52/526377252.db2.gz NZRLYMWWNVRWFR-QWHCGFSZSA-N 1 0 306.414 0.493 10 30 DCEERO C[NH+]=C(NCc1ccnc(C)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000175527625 526386846 /nfs/dbraw/zinc/38/68/46/526386846.db2.gz IVFHCIYXCVKOIB-HNNXBMFYSA-N 1 0 318.425 0.267 10 30 DCEERO C[NH+]=C(NCc1scnc1C)N1CC[C@H](N2CCOCC2)C1 ZINC000262429419 526393198 /nfs/dbraw/zinc/39/31/98/526393198.db2.gz DMFGKPPTQFSHJC-ZDUSSCGKSA-N 1 0 323.466 0.933 10 30 DCEERO C[NH+]=C(NCCC(=O)OC(C)C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261858503 526412888 /nfs/dbraw/zinc/41/28/88/526412888.db2.gz ZAIRMSACGJMVPD-MRXNPFEDSA-N 1 0 324.425 0.506 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261773834 526591601 /nfs/dbraw/zinc/59/16/01/526591601.db2.gz OZCNHIFVXPKJAO-CYBMUJFWSA-N 1 0 303.366 0.040 10 30 DCEERO C=CCNC(=O)[C@@H](C)[NH+]1CCC(C2N=NC(=O)N2CC)CC1 ZINC000372013295 526623630 /nfs/dbraw/zinc/62/36/30/526623630.db2.gz MEDREBGCWXMAOE-LLVKDONJSA-N 1 0 307.398 0.874 10 30 DCEERO C#CCOCCC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372305227 527065335 /nfs/dbraw/zinc/06/53/35/527065335.db2.gz NPIUBJNQSYGHGK-MRXNPFEDSA-N 1 0 307.438 0.653 10 30 DCEERO C#Cc1cccc(NC(=O)CNC(=[NH2+])N2CCO[C@@H](C)C2)c1 ZINC000262488082 527448863 /nfs/dbraw/zinc/44/88/63/527448863.db2.gz TWXZDWZLFATIJE-LBPRGKRZSA-N 1 0 300.362 0.642 10 30 DCEERO CCN(CC)S(=O)(=O)CCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000262549118 528206740 /nfs/dbraw/zinc/20/67/40/528206740.db2.gz XAVQOZPXBHWQDL-LBPRGKRZSA-N 1 0 304.460 0.705 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@H](N2CCOCC2)C1 ZINC000152044115 528809460 /nfs/dbraw/zinc/80/94/60/528809460.db2.gz KFACOAFVBWGFFM-JYJNAYRXSA-N 1 0 324.469 0.519 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCc2ncnn2C1 ZINC000152103719 528809910 /nfs/dbraw/zinc/80/99/10/528809910.db2.gz KMJUISAXJYUGTH-XQQFMLRXSA-N 1 0 306.414 0.309 10 30 DCEERO CCc1cccc(NC(=[NH2+])NC[C@H]2CS(=O)(=O)CCO2)c1 ZINC000262477898 529176623 /nfs/dbraw/zinc/17/66/23/529176623.db2.gz CMHHWZTYBDBEGC-ZDUSSCGKSA-N 1 0 311.407 0.789 10 30 DCEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N(C)CCC#N ZINC000408233853 529306121 /nfs/dbraw/zinc/30/61/21/529306121.db2.gz YCAWQSXBMFJYOH-STQMWFEESA-N 1 0 300.428 0.635 10 30 DCEERO N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN1C1CC1 ZINC000732677125 664951552 /nfs/dbraw/zinc/95/15/52/664951552.db2.gz JCIDONJLQTWTQV-BZUAXINKSA-N 1 0 317.437 0.995 10 30 DCEERO C#CCN(C(=O)CC[NH2+]C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000037825781 685054920 /nfs/dbraw/zinc/05/49/20/685054920.db2.gz OGFWDDNMCVPDJA-LBPRGKRZSA-N 1 0 300.424 0.414 10 30 DCEERO C[n+]1cc(C(=O)NCCC[N+]2(C)CCCC2)ccc1/C=N/[O-] ZINC000001878103 717090862 /nfs/dbraw/zinc/09/08/62/717090862.db2.gz JRHNUDBWSPRJRV-UHFFFAOYSA-P 1 0 306.410 0.680 10 30 DCEERO CC[C@@H]1CN([C@H](C)C(=O)N(C)CCC#N)CC[N@@H+]1C[C@@H](C)O ZINC000247248816 529401305 /nfs/dbraw/zinc/40/13/05/529401305.db2.gz TUNQHENOMZXICW-RBSFLKMASA-N 1 0 310.442 0.524 10 30 DCEERO C#CCNC(=O)c1ccc(NC[C@H](O)C[NH+]2CCCCC2)nc1 ZINC000174683935 198370014 /nfs/dbraw/zinc/37/00/14/198370014.db2.gz SLXHDCAIDYQLOG-HNNXBMFYSA-N 1 0 316.405 0.703 10 30 DCEERO [NH2+]=C(NCc1cccnc1-n1ccnc1)NC[C@@H]1CCCO1 ZINC000261915370 238168122 /nfs/dbraw/zinc/16/81/22/238168122.db2.gz ZFSTZWZQWLFTSR-ZDUSSCGKSA-N 1 0 300.366 0.851 10 30 DCEERO CN(C)C(=O)CNC(N[C@@H]1CCC[C@@H]1C#N)=[NH+]C[C@@H]1CCOC1 ZINC000262322916 238172414 /nfs/dbraw/zinc/17/24/14/238172414.db2.gz SKPYTHHLUHIMQF-BFHYXJOUSA-N 1 0 321.425 0.339 10 30 DCEERO CN(C)C(=O)CNC(N[C@@H]1CCC[C@@H]1C#N)=[NH+]C[C@@H]1CCCO1 ZINC000262346641 238172880 /nfs/dbraw/zinc/17/28/80/238172880.db2.gz YCCVKOSATAMHQK-HZSPNIEDSA-N 1 0 321.425 0.481 10 30 DCEERO [NH2+]=C(NCCC1CCS(=O)(=O)CC1)NC[C@@H]1CCCO1 ZINC000262474652 238175460 /nfs/dbraw/zinc/17/54/60/238175460.db2.gz BWHXZWMKGAWFNE-LBPRGKRZSA-N 1 0 303.428 0.285 10 30 DCEERO [NH2+]=C(NCc1cccc(N2CCOCC2)n1)NC[C@@H]1CCCO1 ZINC000262532404 238176890 /nfs/dbraw/zinc/17/68/90/238176890.db2.gz PUUDLJOHYVPYDU-AWEZNQCLSA-N 1 0 319.409 0.502 10 30 DCEERO CS(=O)(=O)N1CCCC[C@@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000262678292 533383129 /nfs/dbraw/zinc/38/31/29/533383129.db2.gz UUYPWLBWMKYLHB-LLVKDONJSA-N 1 0 311.411 0.622 10 30 DCEERO CS(=O)(=O)c1cccnc1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262748808 533465042 /nfs/dbraw/zinc/46/50/42/533465042.db2.gz BEIXQERUGFWJHY-SNVBAGLBSA-N 1 0 312.395 0.068 10 30 DCEERO COC[C@H](O)C[NH+]1CCC(Nc2nnc(C)c(C)c2C#N)CC1 ZINC000089646241 395713861 /nfs/dbraw/zinc/71/38/61/395713861.db2.gz QSHVATHNBJGLQR-CQSZACIVSA-N 1 0 319.409 0.849 10 30 DCEERO CC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000249743032 396011947 /nfs/dbraw/zinc/01/19/47/396011947.db2.gz YNUBHYVLVWHCNN-JKSUJKDBSA-N 1 0 317.389 0.898 10 30 DCEERO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170858180 396098622 /nfs/dbraw/zinc/09/86/22/396098622.db2.gz ICEZZNNAFZCKGK-CYBMUJFWSA-N 1 0 316.405 0.959 10 30 DCEERO N#Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1F ZINC000177686090 396180846 /nfs/dbraw/zinc/18/08/46/396180846.db2.gz VEBHYFPCESDYDO-ZDUSSCGKSA-N 1 0 316.336 0.942 10 30 DCEERO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COC[C@@H]2CCCO2)C1=O ZINC000532205747 396599671 /nfs/dbraw/zinc/59/96/71/396599671.db2.gz HTCUAKYDBFKUCA-KKUMJFAQSA-N 1 0 312.410 0.262 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595603936 396637451 /nfs/dbraw/zinc/63/74/51/396637451.db2.gz ACYLZHRXQFDYLJ-VXGBXAGGSA-N 1 0 306.370 0.000 10 30 DCEERO N#Cc1ccc(OCC[N@H+]2CC[C@@](O)(Cn3ccnn3)C2)cc1 ZINC000585803730 396659546 /nfs/dbraw/zinc/65/95/46/396659546.db2.gz YISMOGOIGLFAPB-INIZCTEOSA-N 1 0 313.361 0.666 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595769894 396660215 /nfs/dbraw/zinc/66/02/15/396660215.db2.gz VNPJWWUAGUHMBV-KGLIPLIRSA-N 1 0 319.409 0.733 10 30 DCEERO C=CCOCCCNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000611839003 396936303 /nfs/dbraw/zinc/93/63/03/396936303.db2.gz QUOYAMMUZXPRIF-UHFFFAOYSA-N 1 0 323.437 0.686 10 30 DCEERO C[C@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)n1cnc(C#N)n1 ZINC000619614963 397159770 /nfs/dbraw/zinc/15/97/70/397159770.db2.gz RHAKSXOIBQMLJP-GFCCVEGCSA-N 1 0 302.382 0.798 10 30 DCEERO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)C1=O ZINC000599396880 397428607 /nfs/dbraw/zinc/42/86/07/397428607.db2.gz LAGMJTIALFXMFP-HUUCEWRRSA-N 1 0 321.421 0.776 10 30 DCEERO C=C(C)C[C@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C(=O)OC ZINC000602599310 397446469 /nfs/dbraw/zinc/44/64/69/397446469.db2.gz HUYZCLSJAZXODV-NEPJUHHUSA-N 1 0 321.381 0.440 10 30 DCEERO C=CCn1cc(CNC(=O)NC[C@H]2CCC[N@H+]2CCOC)nn1 ZINC000425457151 397405978 /nfs/dbraw/zinc/40/59/78/397405978.db2.gz YBTVWBNJRSIALS-CQSZACIVSA-N 1 0 322.413 0.374 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000051952849 415319816 /nfs/dbraw/zinc/31/98/16/415319816.db2.gz AVDGDDCCEBFQPJ-CYBMUJFWSA-N 1 0 308.426 0.947 10 30 DCEERO C#CCOCCC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089962976 415527642 /nfs/dbraw/zinc/52/76/42/415527642.db2.gz OQOTVVRRGHFEEE-IRXDYDNUSA-N 1 0 316.401 0.778 10 30 DCEERO CC[C@@H]1CN(CC(=O)N(CC)CCC#N)CC[N@@H+]1CCOC ZINC000105837137 415634731 /nfs/dbraw/zinc/63/47/31/415634731.db2.gz NLJVNHWCYBURDR-OAHLLOKOSA-N 1 0 310.442 0.791 10 30 DCEERO C#CCNC(=O)[C@@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000105868506 415638888 /nfs/dbraw/zinc/63/88/88/415638888.db2.gz BSSDHQNXHIUYLN-CYBMUJFWSA-N 1 0 317.393 0.135 10 30 DCEERO CN1CCO[C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000110673557 415686084 /nfs/dbraw/zinc/68/60/84/415686084.db2.gz VKSXWTOQZUDYIK-HNNXBMFYSA-N 1 0 303.362 0.578 10 30 DCEERO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](O)C2)CC1 ZINC000305780906 416104775 /nfs/dbraw/zinc/10/47/75/416104775.db2.gz TZGLUUJXQRQJKM-JYJNAYRXSA-N 1 0 322.453 0.381 10 30 DCEERO CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000329116057 416151644 /nfs/dbraw/zinc/15/16/44/416151644.db2.gz IKFWLHFDFJQZFJ-UTUOFQBUSA-N 1 0 308.386 0.575 10 30 DCEERO C=C(C)CS(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000189623555 416268218 /nfs/dbraw/zinc/26/82/18/416268218.db2.gz FLHBJMMNRCXBFI-UHFFFAOYSA-N 1 0 312.439 0.834 10 30 DCEERO CC[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CC[N@@H+]1CCOC ZINC000247230044 416332454 /nfs/dbraw/zinc/33/24/54/416332454.db2.gz RGPOLJDHIOQPIQ-NVXWUHKLSA-N 1 0 322.453 0.837 10 30 DCEERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(CC(=O)NCC#N)C1 ZINC000195261242 416325995 /nfs/dbraw/zinc/32/59/95/416325995.db2.gz XVPCFINFNULFLJ-CYBMUJFWSA-N 1 0 321.450 0.845 10 30 DCEERO C=CCNC(=O)c1ccc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)nc1 ZINC000418996518 416395732 /nfs/dbraw/zinc/39/57/32/416395732.db2.gz FIAFARQTFZNOEI-UONOGXRCSA-N 1 0 318.421 0.889 10 30 DCEERO C[NH+](C)CCn1cc(NC(=O)CNc2ccc(C#N)cn2)cn1 ZINC000611219533 416662874 /nfs/dbraw/zinc/66/28/74/416662874.db2.gz YOYYJFBYBDCONT-UHFFFAOYSA-N 1 0 313.365 0.762 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCC ZINC000424548764 416663144 /nfs/dbraw/zinc/66/31/44/416663144.db2.gz QEAHYMHYFMRBKR-IHRRRGAJSA-N 1 0 309.410 0.294 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000424551620 416663447 /nfs/dbraw/zinc/66/34/47/416663447.db2.gz WLUKTAVOECPKLU-IHRRRGAJSA-N 1 0 311.426 0.526 10 30 DCEERO C[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)n1cnc(C#N)n1 ZINC000515293956 416695034 /nfs/dbraw/zinc/69/50/34/416695034.db2.gz JPTBAPUXBOQTDU-LLVKDONJSA-N 1 0 302.382 0.701 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627270629 417319795 /nfs/dbraw/zinc/31/97/95/417319795.db2.gz KIBPNCFZZZFXBZ-ILXRZTDVSA-N 1 0 309.410 0.125 10 30 DCEERO C=CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000635402206 417652249 /nfs/dbraw/zinc/65/22/49/417652249.db2.gz OARYCSKHVKITGR-OLZOCXBDSA-N 1 0 300.424 0.530 10 30 DCEERO CNC(=O)CN1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000363846746 262134322 /nfs/dbraw/zinc/13/43/22/262134322.db2.gz NBQKOYZSAXLXRE-INIZCTEOSA-N 1 0 316.405 0.345 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128927554 275746824 /nfs/dbraw/zinc/74/68/24/275746824.db2.gz BKUXHGSJEVHYQZ-CHWSQXEVSA-N 1 0 305.382 0.968 10 30 DCEERO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@H](O)C2)CC1 ZINC000305780905 276011365 /nfs/dbraw/zinc/01/13/65/276011365.db2.gz TZGLUUJXQRQJKM-HRCADAONSA-N 1 0 322.453 0.381 10 30 DCEERO C[NH+]=C(NCC(=O)NC(C)C)N1CCC[C@@]2(CCCOC2)C1 ZINC000262747703 276840810 /nfs/dbraw/zinc/84/08/10/276840810.db2.gz AWLRSKCUBQYXIF-MRXNPFEDSA-N 1 0 310.442 0.979 10 30 DCEERO C[NH+]=C(NCC1(O)CCCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262796780 276841363 /nfs/dbraw/zinc/84/13/63/276841363.db2.gz PXXIJSVWPSJBRR-OAHLLOKOSA-N 1 0 324.469 0.664 10 30 DCEERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)[C@H](C)C1 ZINC000329531053 290087602 /nfs/dbraw/zinc/08/76/02/290087602.db2.gz JCSVWOFPDOZMBX-AYRXBEOTSA-N 1 0 311.426 0.855 10 30 DCEERO C=CCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000237903603 332397149 /nfs/dbraw/zinc/39/71/49/332397149.db2.gz KMPOSYPFWKQERY-FRRDWIJNSA-N 1 0 300.424 0.706 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886110 337386821 /nfs/dbraw/zinc/38/68/21/337386821.db2.gz WPDJXFYWBABPLF-UHFFFAOYSA-N 1 0 305.382 0.607 10 30 DCEERO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105885230 337386845 /nfs/dbraw/zinc/38/68/45/337386845.db2.gz FAJJNIOBGYTVRD-WFASDCNBSA-N 1 0 303.410 0.745 10 30 DCEERO C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000262756821 337621011 /nfs/dbraw/zinc/62/10/11/337621011.db2.gz BSKWZNJORNYUBY-CYBMUJFWSA-N 1 0 318.425 0.525 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000424516227 337845577 /nfs/dbraw/zinc/84/55/77/337845577.db2.gz DOLWLRDZXABRGH-CRWXNKLISA-N 1 0 309.410 0.198 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000425888583 338018403 /nfs/dbraw/zinc/01/84/03/338018403.db2.gz DOBFPDBVRZFLPF-MJBXVCDLSA-N 1 0 309.410 0.246 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCCn2c3ccccc3[nH]c2=O)CCO1 ZINC000262445987 533787229 /nfs/dbraw/zinc/78/72/29/533787229.db2.gz IQBQGPCTHOQPIY-NSHDSACASA-N 1 0 303.366 0.365 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCC(=O)N(C)CCc2ccccn2)CCO1 ZINC000262459221 533787792 /nfs/dbraw/zinc/78/77/92/533787792.db2.gz LZFPWHVKTIAMRP-ZDUSSCGKSA-N 1 0 319.409 0.118 10 30 DCEERO Cc1c([C@H]2[C@H](CNC(=[NH2+])NC3CC3)CC(=O)N2C)cnn1C ZINC000262774134 533957855 /nfs/dbraw/zinc/95/78/55/533957855.db2.gz JRDAAEZZJUJYNL-IINYFYTJSA-N 1 0 304.398 0.315 10 30 DCEERO Cc1c([C@H]2[C@H](CNC(=[NH2+])NCC(C)C)CC(=O)N2C)cnn1C ZINC000262766190 533959198 /nfs/dbraw/zinc/95/91/98/533959198.db2.gz HFRJYHVPFFTEJT-SWLSCSKDSA-N 1 0 320.441 0.808 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCc2ccc3c(c2)C(=O)NCC3)CCO1 ZINC000262439113 534271662 /nfs/dbraw/zinc/27/16/62/534271662.db2.gz HCUYZMPNZCVYLY-LLVKDONJSA-N 1 0 302.378 0.508 10 30 DCEERO Cc1cc(C#N)ccc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000161328488 526188940 /nfs/dbraw/zinc/18/89/40/526188940.db2.gz WAZGKTQMGDJDPO-UHFFFAOYSA-N 1 0 314.389 0.713 10 30 DCEERO C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000262803800 526351430 /nfs/dbraw/zinc/35/14/30/526351430.db2.gz RYWWKKDQYHMFBB-GFCCVEGCSA-N 1 0 320.441 0.796 10 30 DCEERO CNC(=O)CC1CCN(C(NC[C@@H]2CCC[C@H]2O)=[NH+]C)CC1 ZINC000261806414 526370370 /nfs/dbraw/zinc/37/03/70/526370370.db2.gz SAMZWVXFZAXEKC-UONOGXRCSA-N 1 0 310.442 0.571 10 30 DCEERO C[NH+]=C(NCc1ccn(C)c1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261770788 526386804 /nfs/dbraw/zinc/38/68/04/526386804.db2.gz OCJZKWBISASFNC-INIZCTEOSA-N 1 0 303.410 0.703 10 30 DCEERO C[NH+]=C(NCc1nnc2ccccn21)N1CC[C@H](COC)C1 ZINC000262505441 526415768 /nfs/dbraw/zinc/41/57/68/526415768.db2.gz ZUAKHPPPJPTCBF-LBPRGKRZSA-N 1 0 302.382 0.773 10 30 DCEERO C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000262433865 526416801 /nfs/dbraw/zinc/41/68/01/526416801.db2.gz SUSNWIQIRSWAKE-XHBSWPGZSA-N 1 0 310.442 0.976 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263283174 526533716 /nfs/dbraw/zinc/53/37/16/526533716.db2.gz UOPHAMCUOBUYIA-WMLDXEAASA-N 1 0 322.453 0.340 10 30 DCEERO C=CCNC(=O)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000180243858 526556898 /nfs/dbraw/zinc/55/68/98/526556898.db2.gz CDQRZTPOFNXPFY-HNNXBMFYSA-N 1 0 318.421 0.761 10 30 DCEERO CC(C)NS(=O)(=O)NCCNC(=[NH2+])NC1CCCCC1 ZINC000263270231 527745056 /nfs/dbraw/zinc/74/50/56/527745056.db2.gz OUZSLCINBRHSRK-UHFFFAOYSA-N 1 0 305.448 0.056 10 30 DCEERO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000408403203 527936453 /nfs/dbraw/zinc/93/64/53/527936453.db2.gz TYRDGYAYURDXHS-UHOFOFEASA-N 1 0 306.410 0.641 10 30 DCEERO CC(C)CNC(=[NH2+])NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262333007 527955571 /nfs/dbraw/zinc/95/55/71/527955571.db2.gz YLVBETQTERZQGD-LBPRGKRZSA-N 1 0 319.475 0.208 10 30 DCEERO CCC(O)(CC)CNC(=[NH+]C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261817958 528965604 /nfs/dbraw/zinc/96/56/04/528965604.db2.gz UDQDPBXFBFTCPH-HNNXBMFYSA-N 1 0 310.442 0.715 10 30 DCEERO C[NH+]=C(NCC1(O)CCCC1)N[C@H]1CCCn2nc(C)nc21 ZINC000262810481 662584081 /nfs/dbraw/zinc/58/40/81/662584081.db2.gz VAMSUCXDKZNAJA-LBPRGKRZSA-N 1 0 306.414 0.892 10 30 DCEERO C#CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000731128130 664838214 /nfs/dbraw/zinc/83/82/14/664838214.db2.gz WETZPQJLBXNCPB-AWEZNQCLSA-N 1 0 315.373 0.848 10 30 DCEERO N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1C1CC1 ZINC000732699393 664952948 /nfs/dbraw/zinc/95/29/48/664952948.db2.gz ASHVPTGMMVBMSA-VNQPRFMTSA-N 1 0 317.437 0.995 10 30 DCEERO C#CCOc1ccc(C[NH2+]C[C@H](O)CN2CCCC2=O)cc1 ZINC000733326291 666485108 /nfs/dbraw/zinc/48/51/08/666485108.db2.gz UVRKJPJBUFOTLL-HNNXBMFYSA-N 1 0 302.374 0.772 10 30 DCEERO N#C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCN1C1CC1 ZINC000736666970 667217822 /nfs/dbraw/zinc/21/78/22/667217822.db2.gz YDMFKWUXRUVKPS-ZBFHGGJFSA-N 1 0 317.437 0.852 10 30 DCEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC000195289686 530006106 /nfs/dbraw/zinc/00/61/06/530006106.db2.gz XVJOACDILVDPFE-HNNXBMFYSA-N 1 0 301.394 0.475 10 30 DCEERO C[C@@H]1CN(C(C)(C)CNC(=[NH2+])N2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000262492381 238174956 /nfs/dbraw/zinc/17/49/56/238174956.db2.gz VJBUYIBZWAQUKN-MELADBBJSA-N 1 0 312.458 0.910 10 30 DCEERO COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000371020017 239181526 /nfs/dbraw/zinc/18/15/26/239181526.db2.gz SOXWWMJBGQYXMB-DZGCQCFKSA-N 1 0 321.425 0.089 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000375956671 239224406 /nfs/dbraw/zinc/22/44/06/239224406.db2.gz YHCKZBIDKDJYJV-CHWSQXEVSA-N 1 0 314.455 0.929 10 30 DCEERO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000363624666 285050214 /nfs/dbraw/zinc/05/02/14/285050214.db2.gz JRJJYQRKDOMPRB-MGPQQGTHSA-N 1 0 314.455 0.881 10 30 DCEERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1CCS(=O)(=O)C1 ZINC000329202657 285070179 /nfs/dbraw/zinc/07/01/79/285070179.db2.gz YDALIUXJCBDQDH-RYUDHWBXSA-N 1 0 315.439 0.694 10 30 DCEERO CS(=O)(=O)N1CCCC[C@H]1CNC(=[NH2+])NC1CCCC1 ZINC000262080130 533383866 /nfs/dbraw/zinc/38/38/66/533383866.db2.gz DZBZIZDYWMGHHV-LBPRGKRZSA-N 1 0 302.444 0.647 10 30 DCEERO C=CCCC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000091515149 395725972 /nfs/dbraw/zinc/72/59/72/395725972.db2.gz SITLWQBTXHOBDS-HNNXBMFYSA-N 1 0 323.437 0.734 10 30 DCEERO C[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CCN1CCO ZINC000188743049 396384912 /nfs/dbraw/zinc/38/49/12/396384912.db2.gz NWUXFUGZCVDVLM-SNVBAGLBSA-N 1 0 309.316 0.975 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](COC)C1CCOCC1 ZINC000594713066 396499746 /nfs/dbraw/zinc/49/97/46/396499746.db2.gz YHULWURLIRPHPL-AAEUAGOBSA-N 1 0 313.398 0.418 10 30 DCEERO C=CCNC(=O)C[N@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595717155 396650676 /nfs/dbraw/zinc/65/06/76/396650676.db2.gz GPRGDEOJUVTBQG-MLGOLLRUSA-N 1 0 310.394 0.579 10 30 DCEERO C=CCOCCCNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000611955101 396958641 /nfs/dbraw/zinc/95/86/41/396958641.db2.gz GHSKOOMBAVIQLR-AWEZNQCLSA-N 1 0 311.426 0.543 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000597444441 396974491 /nfs/dbraw/zinc/97/44/91/396974491.db2.gz ANBXFRXXPHZUSR-IHRRRGAJSA-N 1 0 313.467 0.961 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000612414329 397048751 /nfs/dbraw/zinc/04/87/51/397048751.db2.gz MRMNXZUXTVLOFZ-CYBMUJFWSA-N 1 0 311.426 0.684 10 30 DCEERO CC#CCN(C)C(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626826053 397250603 /nfs/dbraw/zinc/25/06/03/397250603.db2.gz CTEMEJLKKZROMD-UHFFFAOYSA-N 1 0 301.346 0.589 10 30 DCEERO C=CCOC[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C(=O)OC ZINC000602140791 397318700 /nfs/dbraw/zinc/31/87/00/397318700.db2.gz HCXKLTNKSVWQMJ-CYBMUJFWSA-N 1 0 310.394 0.723 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1C ZINC000614191670 397395674 /nfs/dbraw/zinc/39/56/74/397395674.db2.gz CDBUVNHMEOIIGS-YPMHNXCESA-N 1 0 322.409 0.235 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000424933678 397403760 /nfs/dbraw/zinc/40/37/60/397403760.db2.gz RONUHYSDWSXTTI-MJBXVCDLSA-N 1 0 309.410 0.104 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000425496510 397406416 /nfs/dbraw/zinc/40/64/16/397406416.db2.gz AOELHZKETUCFMT-PMPSAXMXSA-N 1 0 324.469 0.903 10 30 DCEERO C[N@H+]1C[C@H]2CN(CCS(=O)(=O)c3ccc(C#N)cc3)C[C@H]2C1 ZINC000193623820 158587749 /nfs/dbraw/zinc/58/77/49/158587749.db2.gz PLPHLSPNYBEJAA-GASCZTMLSA-N 1 0 319.430 0.825 10 30 DCEERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3noc(C)c3C#N)[C@H]2C1 ZINC000329251175 159076787 /nfs/dbraw/zinc/07/67/87/159076787.db2.gz BHDKLLPEOMYFLU-LSDHHAIUSA-N 1 0 318.377 0.719 10 30 DCEERO CC[C@@H]1CC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000330245183 159153528 /nfs/dbraw/zinc/15/35/28/159153528.db2.gz DPSLVWRGXXMZQS-CYBMUJFWSA-N 1 0 317.393 0.988 10 30 DCEERO C[C@@H](O)CN1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000329294085 287087278 /nfs/dbraw/zinc/08/72/78/287087278.db2.gz RTRUFJQGEYPIFG-MGPQQGTHSA-N 1 0 310.442 0.524 10 30 DCEERO COC(=O)[C@H](C)C[N@H+](CC(=O)NCC#N)Cc1ccccc1 ZINC000066497369 415362064 /nfs/dbraw/zinc/36/20/64/415362064.db2.gz VCNUHBGPWSJRNC-CYBMUJFWSA-N 1 0 303.362 0.937 10 30 DCEERO C=CCNC(=O)[C@H](C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863279 415638023 /nfs/dbraw/zinc/63/80/23/415638023.db2.gz KFYZVENLQYSQFX-HNNXBMFYSA-N 1 0 319.453 0.970 10 30 DCEERO C=CCN1CC[C@@H]([NH+]2CCC(OCCC(=O)NC)CC2)C1=O ZINC000337200596 415927589 /nfs/dbraw/zinc/92/75/89/415927589.db2.gz ZTHSGWJROLLPAM-CQSZACIVSA-N 1 0 309.410 0.390 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153443546 415980684 /nfs/dbraw/zinc/98/06/84/415980684.db2.gz COYLXAMETBEASX-UHFFFAOYSA-N 1 0 307.398 0.808 10 30 DCEERO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000328778445 416132446 /nfs/dbraw/zinc/13/24/46/416132446.db2.gz GFCMCGZTJHSFFD-KBPBESRZSA-N 1 0 319.409 0.836 10 30 DCEERO Cn1ncnc1[C@@H]1COCCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000328877621 416137066 /nfs/dbraw/zinc/13/70/66/416137066.db2.gz KQYJTFKETCISOU-NEPJUHHUSA-N 1 0 308.386 0.197 10 30 DCEERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(C)C ZINC000183675528 416247822 /nfs/dbraw/zinc/24/78/22/416247822.db2.gz AUAZQALNHZWJRA-UKRRQHHQSA-N 1 0 305.378 0.658 10 30 DCEERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@H](C)CC#N)C1 ZINC000246074083 416331600 /nfs/dbraw/zinc/33/16/00/416331600.db2.gz JBAWQJIUMZLKFO-HUUCEWRRSA-N 1 0 310.442 0.693 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000424547046 416663424 /nfs/dbraw/zinc/66/34/24/416663424.db2.gz OAOGNVBKMLHKMO-RFGFWPKPSA-N 1 0 309.410 0.280 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000424551608 416664013 /nfs/dbraw/zinc/66/40/13/416664013.db2.gz WJFNKAKIIKFICV-RFGFWPKPSA-N 1 0 309.410 0.280 10 30 DCEERO C=CC[C@H](CO)C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000519539332 416909953 /nfs/dbraw/zinc/90/99/53/416909953.db2.gz DOVMCQGHLNWNRC-STQMWFEESA-N 1 0 309.362 0.929 10 30 DCEERO C=CCCC1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCCC1 ZINC000627475944 417430154 /nfs/dbraw/zinc/43/01/54/417430154.db2.gz XMDIALKUYOISCX-CQSZACIVSA-N 1 0 323.437 0.734 10 30 DCEERO C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000627733668 417494581 /nfs/dbraw/zinc/49/45/81/417494581.db2.gz ZYZLLLZEZPIMGX-CYBMUJFWSA-N 1 0 319.409 0.808 10 30 DCEERO C=CCC[C@@H](CO)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000456778378 417664072 /nfs/dbraw/zinc/66/40/72/417664072.db2.gz OBWOTLKYRMMHNG-HNNXBMFYSA-N 1 0 318.421 0.890 10 30 DCEERO N#Cc1cnc(N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cn1 ZINC000363697561 268312669 /nfs/dbraw/zinc/31/26/69/268312669.db2.gz FNYIHXYSPPBCLF-CYBMUJFWSA-N 1 0 302.382 0.167 10 30 DCEERO C[NH+]=C(NCC(=O)OC(C)(C)C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261853797 276841079 /nfs/dbraw/zinc/84/10/79/276841079.db2.gz YJTXCXDMTONCGT-MRXNPFEDSA-N 1 0 324.425 0.506 10 30 DCEERO C[N@@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4ncnn4C3)[C@@H]2C1 ZINC000329285824 277139315 /nfs/dbraw/zinc/13/93/15/277139315.db2.gz ONXHQALUJBETRI-JHJVBQTASA-N 1 0 304.398 0.533 10 30 DCEERO CC#CCCNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000420206585 337496600 /nfs/dbraw/zinc/49/66/00/337496600.db2.gz WEBPTRLKCKTWEA-UHFFFAOYSA-N 1 0 317.433 0.786 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000425876465 534587526 /nfs/dbraw/zinc/58/75/26/534587526.db2.gz BEOXXJYLAMUTGX-XGUBFFRZSA-N 1 0 323.437 0.683 10 30 DCEERO C[NH+]=C(NCC1(O)CCC1)N1CCN(Cc2ccon2)CC1 ZINC000261745603 526351532 /nfs/dbraw/zinc/35/15/32/526351532.db2.gz LEFXJPUAOSABOV-UHFFFAOYSA-N 1 0 307.398 0.283 10 30 DCEERO C[NH+]=C(NCCNS(C)(=O)=O)N(C)Cc1csc(C)n1 ZINC000261841077 526360969 /nfs/dbraw/zinc/36/09/69/526360969.db2.gz WILUTWWTCQEACY-UHFFFAOYSA-N 1 0 319.456 0.008 10 30 DCEERO C[NH+]=C(NCCNC(C)=O)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000262022619 526361236 /nfs/dbraw/zinc/36/12/36/526361236.db2.gz ZCVHACVEEIYGLV-CQSZACIVSA-N 1 0 320.441 0.622 10 30 DCEERO C[NH+]=C(NCCc1nc(C)no1)N1CCC(C(=O)OC)CC1 ZINC000262567115 526365951 /nfs/dbraw/zinc/36/59/51/526365951.db2.gz MAKURICZSGXFEZ-UHFFFAOYSA-N 1 0 309.370 0.381 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N(C)Cc1ccon1 ZINC000261804025 526371521 /nfs/dbraw/zinc/37/15/21/526371521.db2.gz RTOWHIIIPUYVCF-LBPRGKRZSA-N 1 0 317.397 0.844 10 30 DCEERO C[NH+]=C(NC[C@H](OC)C(C)(C)C)N1CCN(C2CC2)C(=O)C1 ZINC000262817373 526376142 /nfs/dbraw/zinc/37/61/42/526376142.db2.gz WZQBLIOHGIHJTC-ZDUSSCGKSA-N 1 0 310.442 0.930 10 30 DCEERO C[NH+]=C(NCc1c[nH]nc1C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261843740 526381085 /nfs/dbraw/zinc/38/10/85/526381085.db2.gz WXGDLVIMXCGIHU-HNNXBMFYSA-N 1 0 304.398 0.396 10 30 DCEERO C[NH+]=C(NCc1c[nH]nc1C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261843742 526381147 /nfs/dbraw/zinc/38/11/47/526381147.db2.gz WXGDLVIMXCGIHU-OAHLLOKOSA-N 1 0 304.398 0.396 10 30 DCEERO C[NH+]=C(NCc1cn(CC(=O)OC)nn1)N1C[C@H](C)C[C@@H](C)C1 ZINC000151540253 526388006 /nfs/dbraw/zinc/38/80/06/526388006.db2.gz TVYOGANJNRNHKV-VXGBXAGGSA-N 1 0 322.413 0.504 10 30 DCEERO C=C(C)C[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000181289622 526502512 /nfs/dbraw/zinc/50/25/12/526502512.db2.gz KJFJRIYDRTVYGZ-UHFFFAOYSA-N 1 0 305.382 0.332 10 30 DCEERO C#CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245420922 527025364 /nfs/dbraw/zinc/02/53/64/527025364.db2.gz HRQJXRZJMACGSS-JKSUJKDBSA-N 1 0 306.454 0.226 10 30 DCEERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329041587 546042871 /nfs/dbraw/zinc/04/28/71/546042871.db2.gz OMNLSZVJDFDSFL-ZOBORPQBSA-N 1 0 320.397 0.348 10 30 DCEERO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cn2c(n1)CCCC2 ZINC000329445028 546048752 /nfs/dbraw/zinc/04/87/52/546048752.db2.gz KSILZNBFVHWPDR-CQSZACIVSA-N 1 0 320.441 0.469 10 30 DCEERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(C#CCO)c3)[C@@H]2C1 ZINC000908097174 663733123 /nfs/dbraw/zinc/73/31/23/663733123.db2.gz OVWUEVDTRNRZBU-IAGOWNOFSA-N 1 0 314.385 0.576 10 30 DCEERO C=CCn1cnc2oc(C)c(C(=O)NCC[NH+](C)C)c2c1=O ZINC000222767058 664388680 /nfs/dbraw/zinc/38/86/80/664388680.db2.gz WRUYLIVNJVXOBD-UHFFFAOYSA-N 1 0 304.350 0.775 10 30 DCEERO CCOC(=O)[C@@H]1CCCN(C(NCc2noc(C)n2)=[NH+]C)C1 ZINC000088909556 664697601 /nfs/dbraw/zinc/69/76/01/664697601.db2.gz HVAKYACFFZHLDK-LLVKDONJSA-N 1 0 309.370 0.729 10 30 DCEERO C[NH+]1CCC(NC(=S)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000732625807 664949202 /nfs/dbraw/zinc/94/92/02/664949202.db2.gz MVUVFGKZKKBPOU-AWEZNQCLSA-N 1 0 307.467 0.627 10 30 DCEERO CN(C)C(=O)C[C@@]1(O)CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000886097014 667732320 /nfs/dbraw/zinc/73/23/20/667732320.db2.gz RFRGNSKTIPHJSX-INIZCTEOSA-N 1 0 304.394 0.702 10 30 DCEERO CC[C@@H]1CN(C(NC[C@H]2CN(C)CCO2)=[NH+]C)CCS1 ZINC000124046754 667891240 /nfs/dbraw/zinc/89/12/40/667891240.db2.gz IJNVAVKZDANBSB-QWHCGFSZSA-N 1 0 300.472 0.720 10 30 DCEERO Cc1noc([C@@]2(O)CC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000764038123 668431788 /nfs/dbraw/zinc/43/17/88/668431788.db2.gz NASJRLZULGNXFO-GOEBONIOSA-N 1 0 314.345 0.877 10 30 DCEERO N#Cc1cc(F)cc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000720326825 685312366 /nfs/dbraw/zinc/31/23/66/685312366.db2.gz OVZQJUCPEMTQPP-JTQLQIEISA-N 1 0 307.297 0.958 10 30 DCEERO CCOC(=O)c1ccc(NC(=O)C[N+]23CCN(CC2)CC3)cc1 ZINC000007613232 717105821 /nfs/dbraw/zinc/10/58/21/717105821.db2.gz XHKJLCVJCHHMHH-UHFFFAOYSA-O 1 0 318.397 0.948 10 30 DCEERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329074311 282190949 /nfs/dbraw/zinc/19/09/49/282190949.db2.gz PEHPZDIHJJXZLQ-RFQIPJPRSA-N 1 0 322.413 0.594 10 30 DCEERO C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CC12CCOCC2 ZINC000262842341 530039441 /nfs/dbraw/zinc/03/94/41/530039441.db2.gz UTTIWPOLCYITOF-AWEZNQCLSA-N 1 0 310.442 0.300 10 30 DCEERO Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000172676425 198135670 /nfs/dbraw/zinc/13/56/70/198135670.db2.gz HGYMLIJZRWIPHG-AWEZNQCLSA-N 1 0 323.418 0.818 10 30 DCEERO Cn1ncc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)n1 ZINC000263185052 238186197 /nfs/dbraw/zinc/18/61/97/238186197.db2.gz WRLPUVDAEGZVGL-UHFFFAOYSA-N 1 0 302.338 0.903 10 30 DCEERO O=C(NCC1CC[NH+](CCO)CC1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328815542 238569019 /nfs/dbraw/zinc/56/90/19/238569019.db2.gz CMBAJSCXESJKFR-CABCVRRESA-N 1 0 311.426 0.762 10 30 DCEERO CC[N@@H+]1CC[C@@H](N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000266199207 205178060 /nfs/dbraw/zinc/17/80/60/205178060.db2.gz DCUABCBMJPWLSG-WCQYABFASA-N 1 0 319.409 0.122 10 30 DCEERO C=CCO[C@@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H]1Cc1cnn(C)c1 ZINC000247976390 257113311 /nfs/dbraw/zinc/11/33/11/257113311.db2.gz IQJVNLNZAPHAIC-HUUCEWRRSA-N 1 0 306.410 0.696 10 30 DCEERO C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CCn3ncc(C(N)=O)c3C2)C1 ZINC000261896772 533635482 /nfs/dbraw/zinc/63/54/82/533635482.db2.gz DBLVBIMEQVLWCE-NEPJUHHUSA-N 1 0 318.425 0.591 10 30 DCEERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1cccc(C#N)c1 ZINC000112548852 395819038 /nfs/dbraw/zinc/81/90/38/395819038.db2.gz FLBMBOBMCCCQGU-DOMZBBRYSA-N 1 0 302.378 0.805 10 30 DCEERO COC(=O)[C@@H](NC[C@H]1CN(C)CCO1)c1cccc(C#N)c1 ZINC000176788699 396160948 /nfs/dbraw/zinc/16/09/48/396160948.db2.gz ZVPVDOHYNXIJQH-GJZGRUSLSA-N 1 0 303.362 0.693 10 30 DCEERO C=CC[C@@H](CO)NC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000183068710 396259918 /nfs/dbraw/zinc/25/99/18/396259918.db2.gz HCBXRCOPNWDLNT-HNNXBMFYSA-N 1 0 312.458 0.640 10 30 DCEERO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1 ZINC000611194946 396831842 /nfs/dbraw/zinc/83/18/42/396831842.db2.gz RTHJWHXKDVWTJS-KGLIPLIRSA-N 1 0 318.377 0.235 10 30 DCEERO C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)n1cnc(C#N)n1 ZINC000619613899 397159568 /nfs/dbraw/zinc/15/95/68/397159568.db2.gz UNZMARXAUSTTDK-MFKMUULPSA-N 1 0 308.411 0.264 10 30 DCEERO C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)n1cnc(C#N)n1 ZINC000619617291 397160557 /nfs/dbraw/zinc/16/05/57/397160557.db2.gz RFFFJJUQPAJVIT-AAEUAGOBSA-N 1 0 302.382 0.844 10 30 DCEERO CCS(=O)(=O)NCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123472776 158230077 /nfs/dbraw/zinc/23/00/77/158230077.db2.gz JURBDELWUBFGHB-UHFFFAOYSA-N 1 0 307.379 0.235 10 30 DCEERO Cc1cc(C#N)ccc1C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000128832393 158284114 /nfs/dbraw/zinc/28/41/14/158284114.db2.gz JLWTVEMTHPFOKP-OAHLLOKOSA-N 1 0 317.389 0.632 10 30 DCEERO C[C@@H](C(=O)N(C)CCC#N)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000079491096 415473369 /nfs/dbraw/zinc/47/33/69/415473369.db2.gz WHDXHFMEQDSPOI-GJZGRUSLSA-N 1 0 322.453 0.932 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)N1CC=C(c2ccnn2C)CC1 ZINC000285759447 415621980 /nfs/dbraw/zinc/62/19/80/415621980.db2.gz XAGOGRVYTATGLF-GFCCVEGCSA-N 1 0 317.393 0.910 10 30 DCEERO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887654 415733525 /nfs/dbraw/zinc/73/35/25/415733525.db2.gz ZITWNONLHQXMLK-STQMWFEESA-N 1 0 317.455 0.423 10 30 DCEERO C=CCN1CC[C@H]([N@H+]2C[C@H](OC)C[C@@H]2CC(=O)OCC)C1=O ZINC000337214421 415928930 /nfs/dbraw/zinc/92/89/30/415928930.db2.gz XLUKEUJYRRIPAT-MCIONIFRSA-N 1 0 310.394 0.816 10 30 DCEERO CNC(=O)C[NH+]1CCC(CN(C)c2ncccc2C#N)CC1 ZINC000301334694 416082356 /nfs/dbraw/zinc/08/23/56/416082356.db2.gz BPTQTSXRBFNDSR-UHFFFAOYSA-N 1 0 301.394 0.847 10 30 DCEERO Cn1ccc(CCNC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)n1 ZINC000328845290 416136046 /nfs/dbraw/zinc/13/60/46/416136046.db2.gz AEHQJLQMTAWIBL-UONOGXRCSA-N 1 0 307.398 0.282 10 30 DCEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000329043444 416146135 /nfs/dbraw/zinc/14/61/35/416146135.db2.gz IUZFBJAKIGZIFR-RQJABVFESA-N 1 0 323.441 0.931 10 30 DCEERO C=CCN1CC[C@H]([N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)C1=O ZINC000329121244 416150858 /nfs/dbraw/zinc/15/08/58/416150858.db2.gz KLNFKNBJYORPEV-RDBSUJKOSA-N 1 0 317.393 0.758 10 30 DCEERO CO[C@H]1C[C@@H](CN(C)CC(=O)NC2(C#N)CCCCC2)[N@H+](C)C1 ZINC000330540865 416213662 /nfs/dbraw/zinc/21/36/62/416213662.db2.gz HUTOHAQQZSHXNZ-GJZGRUSLSA-N 1 0 322.453 0.980 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CCN(c3cc(C)[nH]n3)CC2)CC1 ZINC000189730752 416270301 /nfs/dbraw/zinc/27/03/01/416270301.db2.gz GHIPMAMWLFPBCS-UHFFFAOYSA-N 1 0 315.421 0.712 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000424551974 416662808 /nfs/dbraw/zinc/66/28/08/416662808.db2.gz XGQHKLNRHZYPNR-CRWXNKLISA-N 1 0 307.394 0.047 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000424547512 416664116 /nfs/dbraw/zinc/66/41/16/416664116.db2.gz OPBPCGBFBWBCOY-KBPBESRZSA-N 1 0 309.410 0.152 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627290592 417334268 /nfs/dbraw/zinc/33/42/68/417334268.db2.gz UVRITZFWFJJBQO-RDBSUJKOSA-N 1 0 321.421 0.485 10 30 DCEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475621 417431703 /nfs/dbraw/zinc/43/17/03/417431703.db2.gz QVOONRQEIRKNTB-MGPQQGTHSA-N 1 0 309.410 0.342 10 30 DCEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N1CCC2(C1)CCOCC2 ZINC000262784059 275733510 /nfs/dbraw/zinc/73/35/10/275733510.db2.gz LWXZLMXHVOQBBS-JTQLQIEISA-N 1 0 309.332 0.988 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000563032769 333093880 /nfs/dbraw/zinc/09/38/80/333093880.db2.gz YWWWCDIIRNXRHG-XGUBFFRZSA-N 1 0 311.426 0.674 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000043587028 336267323 /nfs/dbraw/zinc/26/73/23/336267323.db2.gz MPPOQCYLGAVDLY-NSHDSACASA-N 1 0 310.398 0.187 10 30 DCEERO C=CCN1CCC(NS(=O)(=O)C[C@H](OC)C2CC2)CC1 ZINC000582903175 337213328 /nfs/dbraw/zinc/21/33/28/337213328.db2.gz SZFGQGQAVJCQFL-AWEZNQCLSA-N 1 0 302.440 0.981 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000583259424 337292496 /nfs/dbraw/zinc/29/24/96/337292496.db2.gz AIHQWSZIXKXKRO-KKUMJFAQSA-N 1 0 321.421 0.390 10 30 DCEERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C(C)(C)C#N)CC2)C1 ZINC000105818415 337386912 /nfs/dbraw/zinc/38/69/12/337386912.db2.gz RGRVBKXWVHBONR-HNNXBMFYSA-N 1 0 322.453 0.790 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000425882774 338018203 /nfs/dbraw/zinc/01/82/03/338018203.db2.gz MILBGLBKBHHOCH-IHRRRGAJSA-N 1 0 311.426 0.540 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCCS(=O)(=O)c2ccccc2)CCO1 ZINC000262304732 533788123 /nfs/dbraw/zinc/78/81/23/533788123.db2.gz ADCCOUVSYBCHOJ-LBPRGKRZSA-N 1 0 311.407 0.496 10 30 DCEERO Cc1c([C@H]2[C@H](CNC(=[NH2+])NC(C)(C)C)CC(=O)N2C)cnn1C ZINC000262766256 533957717 /nfs/dbraw/zinc/95/77/17/533957717.db2.gz HHLVUPNWYSIJGN-SMDDNHRTSA-N 1 0 320.441 0.951 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000425873848 534586401 /nfs/dbraw/zinc/58/64/01/534586401.db2.gz QMRHDGVFISZCIA-KKUMJFAQSA-N 1 0 323.437 0.542 10 30 DCEERO C[NH+]=C(NCC(=O)NC(C)C)NC1CCN(C(=O)C2CC2)CC1 ZINC000262790155 526347140 /nfs/dbraw/zinc/34/71/40/526347140.db2.gz NUGPBTWWJXFJIS-UHFFFAOYSA-N 1 0 323.441 0.077 10 30 DCEERO CNC(=O)CC1CCN(C(NC[C@@H](O)C(F)(F)F)=[NH+]C)CC1 ZINC000261737404 526369226 /nfs/dbraw/zinc/36/92/26/526369226.db2.gz KGAXIKXNWZAHAQ-SNVBAGLBSA-N 1 0 324.347 0.333 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CCCn2nc(C)nc21 ZINC000262813217 526369758 /nfs/dbraw/zinc/36/97/58/526369758.db2.gz VVVNTWAMMKOFPT-AVGNSLFASA-N 1 0 306.414 0.747 10 30 DCEERO C[NH+]=C(NC[C@H]1CN(C)CCO1)N(C)Cc1csc(C)n1 ZINC000155646234 526378121 /nfs/dbraw/zinc/37/81/21/526378121.db2.gz DWOMGETWWYAARO-ZDUSSCGKSA-N 1 0 311.455 0.789 10 30 DCEERO C[NH+]=C(NCc1ccnn1C)N1CCN(Cc2ccon2)CC1 ZINC000261742425 526386189 /nfs/dbraw/zinc/38/61/89/526386189.db2.gz KWYKMINQLPHQNS-UHFFFAOYSA-N 1 0 317.397 0.301 10 30 DCEERO C[NH+]=C(NCc1nc(C)no1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262439244 526390161 /nfs/dbraw/zinc/39/01/61/526390161.db2.gz HERTXIBTZFSRBC-NSHDSACASA-N 1 0 303.370 0.676 10 30 DCEERO C#CCSCCNC(=[NH+]CC)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261855408 527135804 /nfs/dbraw/zinc/13/58/04/527135804.db2.gz YREAIGBUCCZCHI-MRXNPFEDSA-N 1 0 322.478 0.920 10 30 DCEERO CCN(C)CCNC(=[NH+]C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261768537 527793130 /nfs/dbraw/zinc/79/31/30/527793130.db2.gz DNHNDJJFQFOICV-UHFFFAOYSA-N 1 0 311.474 0.845 10 30 DCEERO CCN(CC)S(=O)(=O)CCNC(=[NH2+])N1CCSCC1 ZINC000262536809 528206776 /nfs/dbraw/zinc/20/67/76/528206776.db2.gz PWKBUPXHXXQVJD-UHFFFAOYSA-N 1 0 308.473 0.022 10 30 DCEERO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000156641026 528619513 /nfs/dbraw/zinc/61/95/13/528619513.db2.gz SSABFONWXSWLRR-ZDUSSCGKSA-N 1 0 304.398 0.923 10 30 DCEERO CCN(C[C@H](C)C#N)C(=O)CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000247212998 528693280 /nfs/dbraw/zinc/69/32/80/528693280.db2.gz PYTMOEJSFHEKRK-QLFBSQMISA-N 1 0 310.442 0.381 10 30 DCEERO CCCS(=O)(=O)N1CCC(NC(NC2CCC2)=[NH+]C)CC1 ZINC000262803766 528803047 /nfs/dbraw/zinc/80/30/47/528803047.db2.gz RWTARDYAADODAZ-UHFFFAOYSA-N 1 0 316.471 0.908 10 30 DCEERO [O-]C(=[NH+]CCn1cncn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000328717727 546039416 /nfs/dbraw/zinc/03/94/16/546039416.db2.gz FLZTZGRXTXXNQE-UHFFFAOYSA-N 1 0 306.414 1.000 10 30 DCEERO C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000731127535 664838471 /nfs/dbraw/zinc/83/84/71/664838471.db2.gz GKROJLPCLGFGFV-AWEZNQCLSA-N 1 0 315.373 0.848 10 30 DCEERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000732703924 664954022 /nfs/dbraw/zinc/95/40/22/664954022.db2.gz NWAILFRWZMOYEP-DZGCQCFKSA-N 1 0 305.426 0.710 10 30 DCEERO N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C1CC1 ZINC000734286119 666866647 /nfs/dbraw/zinc/86/66/47/666866647.db2.gz ZOSTUYVWSUNUPW-IUODEOHRSA-N 1 0 303.410 0.605 10 30 DCEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)CCN1C(=O)CCC1=O ZINC000121690907 667471452 /nfs/dbraw/zinc/47/14/52/667471452.db2.gz WRPOQUBVVZOHSK-ZDUSSCGKSA-N 1 0 308.378 0.802 10 30 DCEERO [NH2+]=C(NCCc1cccs1)NCCn1cc([N+](=O)[O-])cn1 ZINC000305140080 685213978 /nfs/dbraw/zinc/21/39/78/685213978.db2.gz MBJKWIVVCXFQRH-UHFFFAOYSA-N 1 0 308.367 1.000 10 30 DCEERO CCn1cnnc1CNC(=[NH+]C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262425726 238173538 /nfs/dbraw/zinc/17/35/38/238173538.db2.gz CMLSBMLGJQGYLC-LBPRGKRZSA-N 1 0 316.413 0.596 10 30 DCEERO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408048854 533239541 /nfs/dbraw/zinc/23/95/41/533239541.db2.gz RASDKXJGKDAAGI-FRRDWIJNSA-N 1 0 306.410 0.771 10 30 DCEERO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000407976214 533395310 /nfs/dbraw/zinc/39/53/10/533395310.db2.gz JXXQOACKDIYQAO-YNEHKIRRSA-N 1 0 302.444 0.880 10 30 DCEERO CO[C@@H]1COC[C@H]1n1cc(CNC(=[NH2+])N2CCC[C@H](C)C2)nn1 ZINC000262341135 533524829 /nfs/dbraw/zinc/52/48/29/533524829.db2.gz XBOCYGIMFOPBAA-IACUBPJLSA-N 1 0 322.413 0.411 10 30 DCEERO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246608780 395954244 /nfs/dbraw/zinc/95/42/44/395954244.db2.gz XZBJHQWMHDLGQS-QLFBSQMISA-N 1 0 308.426 0.399 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CCN(CCOC)[C@@H](C)C2)CC1 ZINC000172336190 396130348 /nfs/dbraw/zinc/13/03/48/396130348.db2.gz JNXTTZQQVURMEM-HNNXBMFYSA-N 1 0 324.469 0.999 10 30 DCEERO CC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000076513044 396205490 /nfs/dbraw/zinc/20/54/90/396205490.db2.gz YNUBHYVLVWHCNN-HOTGVXAUSA-N 1 0 317.389 0.898 10 30 DCEERO N#Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1F ZINC000177686079 396181441 /nfs/dbraw/zinc/18/14/41/396181441.db2.gz VEBHYFPCESDYDO-CYBMUJFWSA-N 1 0 316.336 0.942 10 30 DCEERO C[C@H](C#N)CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000182841529 396254880 /nfs/dbraw/zinc/25/48/80/396254880.db2.gz PPSBRGWGHABEBP-HUUCEWRRSA-N 1 0 307.442 0.958 10 30 DCEERO CC(C)[C@@H](CNC(=O)c1ccnc(C#N)c1)[NH+]1CCN(C)CC1 ZINC000193249320 396446731 /nfs/dbraw/zinc/44/67/31/396446731.db2.gz CHLCGHONVALUDX-MRXNPFEDSA-N 1 0 315.421 0.955 10 30 DCEERO C=CCNC(=O)NC(=O)CN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000595903221 396679215 /nfs/dbraw/zinc/67/92/15/396679215.db2.gz MEHOYCLMXWVMKN-CYBMUJFWSA-N 1 0 302.378 0.778 10 30 DCEERO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cncc(C#N)c1 ZINC000596052055 396711948 /nfs/dbraw/zinc/71/19/48/396711948.db2.gz RQAXHYNOXRMTOZ-SECBINFHSA-N 1 0 308.285 0.463 10 30 DCEERO C=C[C@](C)(O)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617696247 396776133 /nfs/dbraw/zinc/77/61/33/396776133.db2.gz DZZNDQZBOLPDET-WBVHZDCISA-N 1 0 304.390 0.806 10 30 DCEERO C=CC[C@@H]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000625701858 396983024 /nfs/dbraw/zinc/98/30/24/396983024.db2.gz LUAJQVSEHYBGPB-SNVBAGLBSA-N 1 0 303.366 0.358 10 30 DCEERO C=CCSCCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000591925050 397040948 /nfs/dbraw/zinc/04/09/48/397040948.db2.gz PXAXVKJHCCYCLF-GFCCVEGCSA-N 1 0 314.455 0.667 10 30 DCEERO C[C@H](C(=O)N1CCCC12CC[NH+](C)CC2)n1cnc(C#N)n1 ZINC000619599453 397156598 /nfs/dbraw/zinc/15/65/98/397156598.db2.gz YYVFYDDKTAKAOQ-GFCCVEGCSA-N 1 0 302.382 0.798 10 30 DCEERO C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)n1cnc(C#N)n1 ZINC000619617294 397160828 /nfs/dbraw/zinc/16/08/28/397160828.db2.gz RFFFJJUQPAJVIT-YPMHNXCESA-N 1 0 302.382 0.844 10 30 DCEERO C=CC[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000577634576 397348632 /nfs/dbraw/zinc/34/86/32/397348632.db2.gz WBUWMPAPBIADCZ-LLVKDONJSA-N 1 0 314.363 0.895 10 30 DCEERO C=C(C)C[C@@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C(=O)OC ZINC000602599322 397446825 /nfs/dbraw/zinc/44/68/25/397446825.db2.gz HUYZCLSJAZXODV-VXGBXAGGSA-N 1 0 321.381 0.440 10 30 DCEERO CC[C@@H](CO)[NH+]1CCN(CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000072797592 415415770 /nfs/dbraw/zinc/41/57/70/415415770.db2.gz QWQISSMKGDNYDG-CABCVRRESA-N 1 0 310.442 0.383 10 30 DCEERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000086446517 415508657 /nfs/dbraw/zinc/50/86/57/415508657.db2.gz YJOZAIXLDFLBGC-GFCCVEGCSA-N 1 0 320.397 0.582 10 30 DCEERO CN(CCC#N)C(=O)CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000092796265 415542719 /nfs/dbraw/zinc/54/27/19/415542719.db2.gz NIVFCRGAKFWBTP-UHFFFAOYSA-N 1 0 316.409 0.751 10 30 DCEERO C=CCNC(=O)CN1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845554 415636166 /nfs/dbraw/zinc/63/61/66/415636166.db2.gz WYJQVYRMSFHHGH-INIZCTEOSA-N 1 0 324.469 0.015 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000112749364 415714072 /nfs/dbraw/zinc/71/40/72/415714072.db2.gz FOKHFOKBKXDHBS-AWEZNQCLSA-N 1 0 318.425 0.933 10 30 DCEERO C=CCOc1ccc(CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000354192080 415780154 /nfs/dbraw/zinc/78/01/54/415780154.db2.gz VRJUTORDSJRFOG-AWEZNQCLSA-N 1 0 301.346 0.987 10 30 DCEERO C[C@@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@@H]1[NH+](C)C ZINC000329392954 416167601 /nfs/dbraw/zinc/16/76/01/416167601.db2.gz UJCLCOIWKAWIQP-MROQNXINSA-N 1 0 308.386 0.014 10 30 DCEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCN2CCNC(=O)C2)C1 ZINC000329301934 416162501 /nfs/dbraw/zinc/16/25/01/416162501.db2.gz NFXKHCPKMCKBEX-CHWSQXEVSA-N 1 0 311.430 0.491 10 30 DCEERO CC(C)C[NH+]1CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329367891 416164944 /nfs/dbraw/zinc/16/49/44/416164944.db2.gz HREDHURKNASCQB-UONOGXRCSA-N 1 0 322.413 0.406 10 30 DCEERO C=CCN(CC=C)C(=O)CN1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247392391 416332811 /nfs/dbraw/zinc/33/28/11/416332811.db2.gz XGJVQLXDHUJJTO-JKSUJKDBSA-N 1 0 309.454 0.964 10 30 DCEERO CO[C@H]1C[C@@H](C(=O)NCc2ccc(OCC#N)cc2)[N@H+](C)C1 ZINC000583618981 416478515 /nfs/dbraw/zinc/47/85/15/416478515.db2.gz PKMCNJBFIMPHNF-GJZGRUSLSA-N 1 0 303.362 0.924 10 30 DCEERO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000407976213 417129683 /nfs/dbraw/zinc/12/96/83/417129683.db2.gz JXXQOACKDIYQAO-XQQFMLRXSA-N 1 0 302.444 0.880 10 30 DCEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCOCC[NH2+]C ZINC000627460981 417423047 /nfs/dbraw/zinc/42/30/47/417423047.db2.gz BCTNCOXFPNUEGS-KGLIPLIRSA-N 1 0 311.426 0.590 10 30 DCEERO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C#N)n2)[C@@H](C)C1 ZINC000302812083 274271373 /nfs/dbraw/zinc/27/13/73/274271373.db2.gz HGOAXJGZDSRLRQ-WDEREUQCSA-N 1 0 305.338 0.753 10 30 DCEERO C[NH+]=C(NCCOCC1CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261861419 277751183 /nfs/dbraw/zinc/75/11/83/277751183.db2.gz ZKFKARRLZCGBQG-INIZCTEOSA-N 1 0 308.426 0.591 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000425891711 338018341 /nfs/dbraw/zinc/01/83/41/338018341.db2.gz PQKCEOIQCKIYHN-DHMWGJHJSA-N 1 0 321.421 0.293 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000425908900 338018750 /nfs/dbraw/zinc/01/87/50/338018750.db2.gz KZJMPEPRCCMZQY-ZFWWWQNUSA-N 1 0 323.437 0.683 10 30 DCEERO C=CC[C@@H](CO)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000545991721 341149987 /nfs/dbraw/zinc/14/99/87/341149987.db2.gz GKOYIEVKELHYQO-ZDUSSCGKSA-N 1 0 304.394 0.500 10 30 DCEERO C=C[C@H]1CCCCN1C(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000574525190 341761155 /nfs/dbraw/zinc/76/11/55/341761155.db2.gz FOOFBUBIBGCXNN-HNNXBMFYSA-N 1 0 323.437 0.781 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCCc2cnc3c(Cl)cnn3c2)CCO1 ZINC000263206185 534271217 /nfs/dbraw/zinc/27/12/17/534271217.db2.gz YHISURRAVMFNJB-SNVBAGLBSA-N 1 0 322.800 0.961 10 30 DCEERO [NH2+]=C(NC[C@@H]1C[C@H]1C1CC1)N1CCN(c2ncccn2)CC1 ZINC000263213870 534833210 /nfs/dbraw/zinc/83/32/10/534833210.db2.gz ZLXBNDXJLJFIKR-KBPBESRZSA-N 1 0 300.410 0.959 10 30 DCEERO [NH2+]=C(NCCc1nnnn1-c1ccccc1)N1CCSCC1 ZINC000261932078 534834446 /nfs/dbraw/zinc/83/44/46/534834446.db2.gz ZZPIWTSIFDRCKI-UHFFFAOYSA-N 1 0 317.422 0.568 10 30 DCEERO C[NH+]=C(NCC(=O)NC(C)(C)C)NC1CCN(C(C)=O)CC1 ZINC000262290702 526346228 /nfs/dbraw/zinc/34/62/28/526346228.db2.gz XMRMIIOVJWQMDH-UHFFFAOYSA-N 1 0 311.430 0.077 10 30 DCEERO C[NH+]=C(NCC(=O)NC1CC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261961097 526347223 /nfs/dbraw/zinc/34/72/23/526347223.db2.gz PGDCPKWVDAXUMZ-UHFFFAOYSA-N 1 0 323.441 0.172 10 30 DCEERO C[NH+]=C(NCC1CCC1)NCC1CCN(S(C)(=O)=O)CC1 ZINC000261678716 526352035 /nfs/dbraw/zinc/35/20/35/526352035.db2.gz QFPCAGKJQMULAY-UHFFFAOYSA-N 1 0 316.471 0.623 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCCCO1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261853888 526370071 /nfs/dbraw/zinc/37/00/71/526370071.db2.gz YKQQJDFZHXCVME-XJKSGUPXSA-N 1 0 308.426 0.733 10 30 DCEERO C[NH+]=C(NCc1nccn1C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261695127 526391302 /nfs/dbraw/zinc/39/13/02/526391302.db2.gz FPELJDGAOVQZII-OAHLLOKOSA-N 1 0 304.398 0.098 10 30 DCEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261755572 526394672 /nfs/dbraw/zinc/39/46/72/526394672.db2.gz MJIKHPDNVLNEKE-ZVWUFJHRSA-N 1 0 307.398 0.280 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)C(CC)(CC)C[NH3+])CC1 ZINC000262137594 526531542 /nfs/dbraw/zinc/53/15/42/526531542.db2.gz MDQMOKXZTMMFAL-UHFFFAOYSA-N 1 0 310.442 0.198 10 30 DCEERO C=C(C)CS(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000357463321 526685591 /nfs/dbraw/zinc/68/55/91/526685591.db2.gz XWJCGJKTWVLEIZ-ZDUSSCGKSA-N 1 0 319.471 0.574 10 30 DCEERO C=CCOc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000262374116 526847075 /nfs/dbraw/zinc/84/70/75/526847075.db2.gz WMIPETUPBYLXMV-CHWSQXEVSA-N 1 0 306.362 0.570 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247088076 527633171 /nfs/dbraw/zinc/63/31/71/527633171.db2.gz HKNUTQUQEKDJOE-JYJNAYRXSA-N 1 0 309.454 0.962 10 30 DCEERO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246584636 528362357 /nfs/dbraw/zinc/36/23/57/528362357.db2.gz WJQXQVCZLIKJIT-GJZGRUSLSA-N 1 0 308.426 0.401 10 30 DCEERO CC[NH+]=C(NCC1(O)CCCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000262820213 528804156 /nfs/dbraw/zinc/80/41/56/528804156.db2.gz XZAUCRLQTZJOJP-UHFFFAOYSA-N 1 0 322.453 0.954 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCCO1)N1CCN(Cc2ccon2)CC1 ZINC000261687541 528809417 /nfs/dbraw/zinc/80/94/17/528809417.db2.gz DROWBRUSPLHOEY-HNNXBMFYSA-N 1 0 321.425 0.937 10 30 DCEERO CC[NH+]=C(N[C@@H]1CC1(C)C)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261672891 528820367 /nfs/dbraw/zinc/82/03/67/528820367.db2.gz GWQAHADRNQJPEV-GFCCVEGCSA-N 1 0 309.458 0.632 10 30 DCEERO C=CCNC(NCC(=O)N(C)C)=[NH+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261640125 658255103 /nfs/dbraw/zinc/25/51/03/658255103.db2.gz KTHSLKVLZREPKA-NWANDNLSSA-N 1 0 320.437 0.753 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCc2ncnn2C1 ZINC000151242972 664298088 /nfs/dbraw/zinc/29/80/88/664298088.db2.gz MEFUPHQNLGCMRN-WVWOOGAGSA-N 1 0 318.425 0.571 10 30 DCEERO CCOC(=O)C1CCN(C(NCc2ccnn2C)=[NH+]C)CC1 ZINC000073110075 666576195 /nfs/dbraw/zinc/57/61/95/666576195.db2.gz LETWIDPQIVZGIG-UHFFFAOYSA-N 1 0 307.398 0.771 10 30 DCEERO [NH2+]=C(NCC(=O)NCCc1ccccc1)NC[C@@H]1CCCO1 ZINC000076105435 670098839 /nfs/dbraw/zinc/09/88/39/670098839.db2.gz BCKIHKKDYOTLQO-AWEZNQCLSA-N 1 0 304.394 0.429 10 30 DCEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CN1CCCS1(=O)=O ZINC000121526317 672058368 /nfs/dbraw/zinc/05/83/68/672058368.db2.gz CCRJSBSXLJVPQH-CYBMUJFWSA-N 1 0 316.423 0.299 10 30 DCEERO CCc1nc(CNC(=[NH2+])NCCCN2CCOCC2)cs1 ZINC000304745609 685212302 /nfs/dbraw/zinc/21/23/02/685212302.db2.gz FGRVXSFCHXIFHL-UHFFFAOYSA-N 1 0 311.455 0.832 10 30 DCEERO C[S@@](=O)CCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000229232781 1179195540 /nfs/dbraw/zinc/19/55/40/1179195540.db2.gz XSNBLDQCSRHHHH-LJQANCHMSA-N 1 0 314.432 0.690 10 30 DCEERO O=C(C[N+]12CCN(CC1)CC2)N[C@H]1CCOc2ccccc21 ZINC000029221453 717116879 /nfs/dbraw/zinc/11/68/79/717116879.db2.gz WCSQAODITUZYNC-HNNXBMFYSA-O 1 0 302.398 0.772 10 30 DCEERO CC[C@@H]1CN([C@H](C)C(=O)N(C)CCC#N)CC[N@@H+]1C[C@H](C)O ZINC000247248828 529401118 /nfs/dbraw/zinc/40/11/18/529401118.db2.gz TUNQHENOMZXICW-RRFJBIMHSA-N 1 0 310.442 0.524 10 30 DCEERO CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000262281333 529629088 /nfs/dbraw/zinc/62/90/88/529629088.db2.gz JCWCNVJUZSOADE-NWDGAFQWSA-N 1 0 311.430 0.029 10 30 DCEERO CN1CC[NH+]=C1NCc1cccc(NC(=O)Cn2cccn2)c1 ZINC000262690265 529779047 /nfs/dbraw/zinc/77/90/47/529779047.db2.gz ZZFUZTVVNDJJNF-UHFFFAOYSA-N 1 0 312.377 0.913 10 30 DCEERO CC[C@@H](CO)[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000072797943 191230699 /nfs/dbraw/zinc/23/06/99/191230699.db2.gz FJVBBSZWQNQZSP-ZDUSSCGKSA-N 1 0 322.434 0.947 10 30 DCEERO [NH2+]=C(NC[C@H]1CC[C@@H](CO)O1)N[C@H]1CCOc2ccccc21 ZINC000262662543 238178301 /nfs/dbraw/zinc/17/83/01/238178301.db2.gz YZFQIAHNCZCAKH-DYEKYZERSA-N 1 0 305.378 0.954 10 30 DCEERO Cn1cnc2c(c1=O)CCN(C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1)C2 ZINC000328618505 238550410 /nfs/dbraw/zinc/55/04/10/238550410.db2.gz DTSYKIPVYDOIPI-NWDGAFQWSA-N 1 0 319.409 0.535 10 30 DCEERO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000363624664 285049897 /nfs/dbraw/zinc/04/98/97/285049897.db2.gz JRJJYQRKDOMPRB-HZSPNIEDSA-N 1 0 314.455 0.881 10 30 DCEERO C[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000408063538 533206978 /nfs/dbraw/zinc/20/69/78/533206978.db2.gz JEKHGENQLVDOMV-MCIONIFRSA-N 1 0 306.410 0.832 10 30 DCEERO CCN(C[C@H](C)C#N)C(=O)CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105824304 395780866 /nfs/dbraw/zinc/78/08/66/395780866.db2.gz PYTMOEJSFHEKRK-RBSFLKMASA-N 1 0 310.442 0.381 10 30 DCEERO CCOCCN1CC[N@H+](CCC(=O)N(C)CCC#N)C[C@H]1C ZINC000245731479 395935444 /nfs/dbraw/zinc/93/54/44/395935444.db2.gz TXMKPVIRIQWUBS-OAHLLOKOSA-N 1 0 310.442 0.791 10 30 DCEERO CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000249743012 396012208 /nfs/dbraw/zinc/01/22/08/396012208.db2.gz YNUBHYVLVWHCNN-HZPDHXFCSA-N 1 0 317.389 0.898 10 30 DCEERO C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000585686333 396649410 /nfs/dbraw/zinc/64/94/10/396649410.db2.gz CCUBGZVJCFGZBO-UHFFFAOYSA-N 1 0 318.352 0.524 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595603935 396637416 /nfs/dbraw/zinc/63/74/16/396637416.db2.gz ACYLZHRXQFDYLJ-RYUDHWBXSA-N 1 0 306.370 0.000 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000595633959 396641124 /nfs/dbraw/zinc/64/11/24/396641124.db2.gz RIYAEFZUNACRCY-RWMBFGLXSA-N 1 0 313.398 0.154 10 30 DCEERO CO[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)[C@](C)(C[NH3+])C1 ZINC000600886660 396963606 /nfs/dbraw/zinc/96/36/06/396963606.db2.gz SUGALTXTNAJPHX-SKDRFNHKSA-N 1 0 315.420 0.747 10 30 DCEERO CO[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)[C@](C)(C[NH3+])C1 ZINC000600886658 396963670 /nfs/dbraw/zinc/96/36/70/396963670.db2.gz SUGALTXTNAJPHX-CABZTGNLSA-N 1 0 315.420 0.747 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612389316 397042083 /nfs/dbraw/zinc/04/20/83/397042083.db2.gz QQKWTQHNDZZXHW-HZPDHXFCSA-N 1 0 323.437 0.827 10 30 DCEERO C[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)n1cnc(C#N)n1 ZINC000619590470 397154101 /nfs/dbraw/zinc/15/41/01/397154101.db2.gz UIYGFCIFEZIWDC-SNVBAGLBSA-N 1 0 302.342 0.108 10 30 DCEERO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)n1cnc(C#N)n1 ZINC000619613570 397159755 /nfs/dbraw/zinc/15/97/55/397159755.db2.gz RPKGJLBSGRFTGP-STQMWFEESA-N 1 0 302.382 0.655 10 30 DCEERO C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626813427 397247315 /nfs/dbraw/zinc/24/73/15/397247315.db2.gz UYWFDWWIMFORNP-ZDUSSCGKSA-N 1 0 319.361 0.160 10 30 DCEERO C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626813426 397247381 /nfs/dbraw/zinc/24/73/81/397247381.db2.gz UYWFDWWIMFORNP-CYBMUJFWSA-N 1 0 319.361 0.160 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CCO)C[C@H]2C)CC1 ZINC000458315210 397428867 /nfs/dbraw/zinc/42/88/67/397428867.db2.gz FPFSYYMKAGKVDL-OAHLLOKOSA-N 1 0 324.469 0.735 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000599686154 397505316 /nfs/dbraw/zinc/50/53/16/397505316.db2.gz UDNSJZNKXTXKRM-IEBDPFPHSA-N 1 0 323.353 0.198 10 30 DCEERO C=CCN(CC=C)C(=O)C[NH+]1CCC(OCCC(=O)NC)CC1 ZINC000494968474 397534281 /nfs/dbraw/zinc/53/42/81/397534281.db2.gz CMFPRJIFGOVROC-UHFFFAOYSA-N 1 0 323.437 0.804 10 30 DCEERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000066457665 158035526 /nfs/dbraw/zinc/03/55/26/158035526.db2.gz ABCVLBMFJJRQFC-YUELXQCFSA-N 1 0 317.389 0.884 10 30 DCEERO N#Cc1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000093046737 158117435 /nfs/dbraw/zinc/11/74/35/158117435.db2.gz ITLWPDRRWKISND-UHFFFAOYSA-N 1 0 302.378 0.891 10 30 DCEERO Cn1cc(C#N)cc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000081808404 415489385 /nfs/dbraw/zinc/48/93/85/415489385.db2.gz VNEKJXKLGOXNFX-UHFFFAOYSA-N 1 0 303.410 0.653 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H]2CCOC2)CC1 ZINC000343880883 415766502 /nfs/dbraw/zinc/76/65/02/415766502.db2.gz BWPZHKUNWLRMEU-AWEZNQCLSA-N 1 0 323.437 0.686 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000127112507 415881667 /nfs/dbraw/zinc/88/16/67/415881667.db2.gz AEIOPROIMDEKHI-HNNXBMFYSA-N 1 0 315.421 0.862 10 30 DCEERO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CN2CCOCC2)C1=O ZINC000337171204 415922163 /nfs/dbraw/zinc/92/21/63/415922163.db2.gz FRMONMCUJHHGIR-HZPDHXFCSA-N 1 0 307.438 0.960 10 30 DCEERO C[C@@H]1C[C@@H](NC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC[N@@H+]1C ZINC000329054397 416145881 /nfs/dbraw/zinc/14/58/81/416145881.db2.gz LQYLZFKQPIQLEV-MROQNXINSA-N 1 0 308.386 0.204 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000341545317 416212874 /nfs/dbraw/zinc/21/28/74/416212874.db2.gz JNIJCMGIAUMXHK-AWEZNQCLSA-N 1 0 311.426 0.638 10 30 DCEERO C=CCOCC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000339472014 416157733 /nfs/dbraw/zinc/15/77/33/416157733.db2.gz LGUCZUJTXUBKQF-XYPWUTKMSA-N 1 0 307.438 0.958 10 30 DCEERO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCN1CCO ZINC000190029576 416273454 /nfs/dbraw/zinc/27/34/54/416273454.db2.gz CBEWKUDALNWOIN-GFCCVEGCSA-N 1 0 316.361 0.022 10 30 DCEERO C=CCn1c(CC)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000554630911 416710026 /nfs/dbraw/zinc/71/00/26/416710026.db2.gz AJLYDHDTPUKCAH-UHFFFAOYSA-N 1 0 320.441 0.627 10 30 DCEERO N#C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1C1CC1 ZINC000377677769 417063046 /nfs/dbraw/zinc/06/30/46/417063046.db2.gz RZABFEAWNVBTEN-CZUORRHYSA-N 1 0 317.437 0.852 10 30 DCEERO CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1CCC(=O)NC1 ZINC000262817217 275803480 /nfs/dbraw/zinc/80/34/80/275803480.db2.gz VXPHHFHMKQWTPW-WWGRRREGSA-N 1 0 310.442 0.761 10 30 DCEERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nccc(C#N)n2)CC1 ZINC000296946620 277047264 /nfs/dbraw/zinc/04/72/64/277047264.db2.gz BVMACYMJJXJADZ-HNNXBMFYSA-N 1 0 300.410 0.955 10 30 DCEERO C[NH+]=C(NC[C@H](C)SC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261986591 277752193 /nfs/dbraw/zinc/75/21/93/277752193.db2.gz QHHBFKSKMRGUNJ-JTQLQIEISA-N 1 0 307.485 0.822 10 30 DCEERO C[C@H](CC#N)N(C)S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000407976210 298273596 /nfs/dbraw/zinc/27/35/96/298273596.db2.gz JXXQOACKDIYQAO-UPJWGTAASA-N 1 0 302.444 0.880 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CCc2ccccc2[C@H]1C[NH3+] ZINC000574917398 332848062 /nfs/dbraw/zinc/84/80/62/332848062.db2.gz XFYUXOYDQGMQCC-CQSZACIVSA-N 1 0 302.378 0.556 10 30 DCEERO CN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1CCOC1 ZINC000330312178 336151848 /nfs/dbraw/zinc/15/18/48/336151848.db2.gz OCGKMYMZTRMHST-ZNMIVQPWSA-N 1 0 311.426 0.999 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000424543881 337857277 /nfs/dbraw/zinc/85/72/77/337857277.db2.gz KGDSZZRFHJRMLG-GJZGRUSLSA-N 1 0 323.437 0.542 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000424549668 337858873 /nfs/dbraw/zinc/85/88/73/337858873.db2.gz RYYXDAQZMHCIEY-ZNMIVQPWSA-N 1 0 323.437 0.718 10 30 DCEERO CC[C@H](O)C[NH+]1CCN(CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000173451985 340365258 /nfs/dbraw/zinc/36/52/58/340365258.db2.gz VUOCYJFYALHVOB-CABCVRRESA-N 1 0 310.442 0.383 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCC3(CCOCC3)[C@H]2O)CCO1 ZINC000261676716 534271197 /nfs/dbraw/zinc/27/11/97/534271197.db2.gz PWVNIPYOUMXDTF-MCIONIFRSA-N 1 0 311.426 0.590 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000425881057 534586698 /nfs/dbraw/zinc/58/66/98/534586698.db2.gz KQILHCBGWSYSFT-ZFWWWQNUSA-N 1 0 323.437 0.684 10 30 DCEERO C[NH+]=C(NCC(=O)NC(C)(C)C)NCc1nnc2ccccn21 ZINC000263240211 526347331 /nfs/dbraw/zinc/34/73/31/526347331.db2.gz KWXXPFAXFGWPMM-UHFFFAOYSA-N 1 0 317.397 0.309 10 30 DCEERO C[NH+]=C(NCC1CCSCC1)N[C@H]1CCc2ncnn2C1 ZINC000262792795 526352757 /nfs/dbraw/zinc/35/27/57/526352757.db2.gz OKYCZNZXTBMOSP-LBPRGKRZSA-N 1 0 308.455 0.901 10 30 DCEERO C[NH+]=C(NCc1ccnn1C)NCC1(C(=O)N(C)C)CCCC1 ZINC000262455316 526386160 /nfs/dbraw/zinc/38/61/60/526386160.db2.gz FFEKVOBNAJZZTQ-UHFFFAOYSA-N 1 0 320.441 0.734 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCc2ncnn2C1 ZINC000262390661 526396261 /nfs/dbraw/zinc/39/62/61/526396261.db2.gz MEFUPHQNLGCMRN-ZMJPVWNMSA-N 1 0 318.425 0.571 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000172584918 526436665 /nfs/dbraw/zinc/43/66/65/526436665.db2.gz PFMHDYXIBFCICF-TZMCWYRMSA-N 1 0 308.426 0.980 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC(NC(=O)C3CC3)C2)CC1 ZINC000187037998 526586034 /nfs/dbraw/zinc/58/60/34/526586034.db2.gz GAQUZWWLQPJVLF-UHFFFAOYSA-N 1 0 320.437 0.947 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CC(=O)NC)c1ccccc1 ZINC000361647503 526597473 /nfs/dbraw/zinc/59/74/73/526597473.db2.gz YQCZXASQTNQUFL-ZDUSSCGKSA-N 1 0 318.377 0.465 10 30 DCEERO C=CCOc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000262374118 526847697 /nfs/dbraw/zinc/84/76/97/526847697.db2.gz WMIPETUPBYLXMV-OLZOCXBDSA-N 1 0 306.362 0.570 10 30 DCEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247259815 527629735 /nfs/dbraw/zinc/62/97/35/527629735.db2.gz ZSMPBFNCAVNLQI-HZPDHXFCSA-N 1 0 307.438 0.982 10 30 DCEERO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177244682 528362759 /nfs/dbraw/zinc/36/27/59/528362759.db2.gz WJQXQVCZLIKJIT-LSDHHAIUSA-N 1 0 308.426 0.401 10 30 DCEERO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177226727 528696307 /nfs/dbraw/zinc/69/63/07/528696307.db2.gz ODONNOHPMVRBEP-OWCLPIDISA-N 1 0 322.453 0.647 10 30 DCEERO CC[NH+]=C(NCC1CCOCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261790588 528805719 /nfs/dbraw/zinc/80/57/19/528805719.db2.gz QGYURMZOKOFSDX-KRWDZBQOSA-N 1 0 322.453 0.981 10 30 DCEERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(C#CCO)c3)[C@H]2C1 ZINC000908097173 663733289 /nfs/dbraw/zinc/73/32/89/663733289.db2.gz OVWUEVDTRNRZBU-DLBZAZTESA-N 1 0 314.385 0.576 10 30 DCEERO C=CCOC[C@H]1NC(=O)N(C[C@@H]2CCC[N@H+]2CCOC)C1=O ZINC000348402046 663781547 /nfs/dbraw/zinc/78/15/47/663781547.db2.gz YULHRFZLFGSBHK-QWHCGFSZSA-N 1 0 311.382 0.220 10 30 DCEERO N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1C1CC1 ZINC000732699392 664953052 /nfs/dbraw/zinc/95/30/52/664953052.db2.gz ASHVPTGMMVBMSA-NUEKZKHPSA-N 1 0 317.437 0.995 10 30 DCEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000073777778 666555245 /nfs/dbraw/zinc/55/52/45/666555245.db2.gz NNGDOZYMJAGYAL-MJBXVCDLSA-N 1 0 308.426 0.684 10 30 DCEERO C=CCNC(=O)C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000733897206 666824039 /nfs/dbraw/zinc/82/40/39/666824039.db2.gz JGTSJEUUXQWHGN-SFHVURJKSA-N 1 0 317.433 0.905 10 30 DCEERO C#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000118106731 666911513 /nfs/dbraw/zinc/91/15/13/666911513.db2.gz PKVOBFWLTDPSJJ-AWEZNQCLSA-N 1 0 315.373 0.848 10 30 DCEERO C#CCN(C(=O)CCCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000741211760 667761424 /nfs/dbraw/zinc/76/14/24/667761424.db2.gz FRQYGFNBAOSKDI-ZDUSSCGKSA-N 1 0 300.424 0.367 10 30 DCEERO CC(=O)N1CCN(CCNC(=[NH2+])NCCc2cccs2)CC1 ZINC000303873641 685207210 /nfs/dbraw/zinc/20/72/10/685207210.db2.gz CQKLXQUWZRKNHZ-UHFFFAOYSA-N 1 0 323.466 0.359 10 30 DCEERO C[NH+]=C(NCCCc1c(C)noc1C)NCCN1CCOCC1 ZINC000304828866 685211694 /nfs/dbraw/zinc/21/16/94/685211694.db2.gz JACLIZMAVSDGPN-UHFFFAOYSA-N 1 0 323.441 0.721 10 30 DCEERO CNC(=[NH2+])NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000262093782 530039497 /nfs/dbraw/zinc/03/94/97/530039497.db2.gz HMJHCVGZLVIYRE-SECBINFHSA-N 1 0 302.425 0.293 10 30 DCEERO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000153055505 237015482 /nfs/dbraw/zinc/01/54/82/237015482.db2.gz BXFAREBSYZSGOP-BLLLJJGKSA-N 1 0 305.378 0.754 10 30 DCEERO C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1CCO ZINC000187692037 237356013 /nfs/dbraw/zinc/35/60/13/237356013.db2.gz HSWACPUCOKEXMD-ZBFHGGJFSA-N 1 0 319.405 0.296 10 30 DCEERO CN(C)C(=O)CNC(N[C@@H]1CCC(=O)NC1)=[NH+]C1CCCCC1 ZINC000262271007 238171680 /nfs/dbraw/zinc/17/16/80/238171680.db2.gz GVZWFJFBGZYLGQ-CYBMUJFWSA-N 1 0 323.441 0.221 10 30 DCEERO C[C@H](C[S@](C)=O)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000168869337 291249481 /nfs/dbraw/zinc/24/94/81/291249481.db2.gz FOGLTGCAMVUOSQ-NSPYISDASA-N 1 0 314.432 0.689 10 30 DCEERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCOC[C@H]2c2ncnn2C)C1 ZINC000328878136 285261905 /nfs/dbraw/zinc/26/19/05/285261905.db2.gz KVQJNBJHWGCXHK-STQMWFEESA-N 1 0 322.413 0.587 10 30 DCEERO CN(CC(=O)N1CC[NH2+]CC1)c1cccc(C#N)c1[N+](=O)[O-] ZINC000262322173 396123876 /nfs/dbraw/zinc/12/38/76/396123876.db2.gz RCYQQYUQUKATGG-UHFFFAOYSA-N 1 0 303.322 0.334 10 30 DCEERO Cc1sc(NC(=O)CN2C[C@H](O)C[C@@H]2CO)c(C#N)c1C ZINC000179173002 396223328 /nfs/dbraw/zinc/22/33/28/396223328.db2.gz JKDCUPQFTBMKCH-GHMZBOCLSA-N 1 0 309.391 0.603 10 30 DCEERO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860391 396669252 /nfs/dbraw/zinc/66/92/52/396669252.db2.gz CXLXHHBBZLTIQF-UHFFFAOYSA-N 1 0 320.368 0.724 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000612003145 396979296 /nfs/dbraw/zinc/97/92/96/396979296.db2.gz FQHGMUKVJLGHKI-IHRRRGAJSA-N 1 0 323.437 0.683 10 30 DCEERO C=C(C)C[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000630972436 397149313 /nfs/dbraw/zinc/14/93/13/397149313.db2.gz VYOUUKRHEFUBHU-OLZOCXBDSA-N 1 0 322.409 0.460 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614071191 397376096 /nfs/dbraw/zinc/37/60/96/397376096.db2.gz PBWAXXQATGVHHN-HOCLYGCPSA-N 1 0 311.426 0.372 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000425496509 397406353 /nfs/dbraw/zinc/40/63/53/397406353.db2.gz AOELHZKETUCFMT-JYJNAYRXSA-N 1 0 324.469 0.903 10 30 DCEERO C=CCCSCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000599954835 397552099 /nfs/dbraw/zinc/55/20/99/397552099.db2.gz GLSCDCJVWLWTRU-UHFFFAOYSA-N 1 0 315.439 0.036 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)N1CC=C(c2ccnn2C)CC1 ZINC000285759450 415620004 /nfs/dbraw/zinc/62/00/04/415620004.db2.gz XAGOGRVYTATGLF-LBPRGKRZSA-N 1 0 317.393 0.910 10 30 DCEERO C=CCN(CC=C)C(=O)CN1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105825156 415634021 /nfs/dbraw/zinc/63/40/21/415634021.db2.gz XGJVQLXDHUJJTO-HZPDHXFCSA-N 1 0 309.454 0.964 10 30 DCEERO C=CCNC(=O)CN1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845551 415638734 /nfs/dbraw/zinc/63/87/34/415638734.db2.gz WYJQVYRMSFHHGH-MRXNPFEDSA-N 1 0 324.469 0.015 10 30 DCEERO CO[C@@H]1C[C@@H](CO)N(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000329102131 416150009 /nfs/dbraw/zinc/15/00/09/416150009.db2.gz ZXSHVRIECMHWHV-SOUVJXGZSA-N 1 0 311.426 0.999 10 30 DCEERO CNC(=O)Cn1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000329138132 416152472 /nfs/dbraw/zinc/15/24/72/416152472.db2.gz IBRPEKLVSLVXSA-GFCCVEGCSA-N 1 0 306.370 0.795 10 30 DCEERO CC(C)[NH+]1CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329379700 416166421 /nfs/dbraw/zinc/16/64/21/416166421.db2.gz NDFMNHFPUBMLLR-QWHCGFSZSA-N 1 0 308.386 0.158 10 30 DCEERO C[C@@H](O)C[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC000329536731 416174035 /nfs/dbraw/zinc/17/40/35/416174035.db2.gz LXRMFAATUJDBNK-YPMHNXCESA-N 1 0 307.398 0.179 10 30 DCEERO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246608774 416332095 /nfs/dbraw/zinc/33/20/95/416332095.db2.gz XZBJHQWMHDLGQS-KFWWJZLASA-N 1 0 308.426 0.399 10 30 DCEERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000365945415 416613657 /nfs/dbraw/zinc/61/36/57/416613657.db2.gz HWGQQKIBIQOVGQ-UHOFOFEASA-N 1 0 317.437 0.851 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000424516229 416660521 /nfs/dbraw/zinc/66/05/21/416660521.db2.gz DOLWLRDZXABRGH-RFGFWPKPSA-N 1 0 309.410 0.198 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000425653161 416717429 /nfs/dbraw/zinc/71/74/29/416717429.db2.gz OQZVIPDKFWDNFZ-HOCLYGCPSA-N 1 0 324.469 0.903 10 30 DCEERO C=CCOc1cccc(NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000631929280 416809806 /nfs/dbraw/zinc/80/98/06/416809806.db2.gz AVDAVYKJGGWBFH-AWEZNQCLSA-N 1 0 312.391 0.982 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632301448 417011065 /nfs/dbraw/zinc/01/10/65/417011065.db2.gz ZUDPDWGJHUOYNF-RDBSUJKOSA-N 1 0 318.439 0.218 10 30 DCEERO C=CCn1cc(CNC(=O)N2CCC([NH2+]CCOC)CC2)nn1 ZINC000568046922 417073696 /nfs/dbraw/zinc/07/36/96/417073696.db2.gz AXBUBWLGURZUIO-UHFFFAOYSA-N 1 0 322.413 0.374 10 30 DCEERO C[NH+]=C(NCC1(O)CCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000262793312 276841435 /nfs/dbraw/zinc/84/14/35/276841435.db2.gz OXWBPDPCKXTCBK-AWEZNQCLSA-N 1 0 310.442 0.273 10 30 DCEERO CC[NH+]=C(NC[C@H](C)N(C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261749721 280841407 /nfs/dbraw/zinc/84/14/07/280841407.db2.gz LRPVQKARWXKLPK-BBRMVZONSA-N 1 0 309.458 0.504 10 30 DCEERO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000374537553 298276713 /nfs/dbraw/zinc/27/67/13/298276713.db2.gz MSGIGRSZBMLNHT-FRRDWIJNSA-N 1 0 300.428 0.491 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000425881362 334228161 /nfs/dbraw/zinc/22/81/61/334228161.db2.gz SWMWBQBTOIOVRJ-ZNMIVQPWSA-N 1 0 311.426 0.724 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000583259425 337292553 /nfs/dbraw/zinc/29/25/53/337292553.db2.gz AIHQWSZIXKXKRO-ZNMIVQPWSA-N 1 0 321.421 0.390 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000424550960 337858934 /nfs/dbraw/zinc/85/89/34/337858934.db2.gz UJRBOUFOEOUGBT-GJZGRUSLSA-N 1 0 323.437 0.542 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000425869197 338018009 /nfs/dbraw/zinc/01/80/09/338018009.db2.gz JKZDBLCPRBBTLF-XQLPTFJDSA-N 1 0 321.421 0.437 10 30 DCEERO NC(=O)c1cnn2c1C[C@H](CNC(=[NH2+])NC1CCCC1)CC2 ZINC000261945473 534512971 /nfs/dbraw/zinc/51/29/71/534512971.db2.gz OJDPNMDVJVNZJA-SNVBAGLBSA-N 1 0 304.398 0.391 10 30 DCEERO C[NH+]=C(NCC(=O)N(C)C)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000261693157 526345372 /nfs/dbraw/zinc/34/53/72/526345372.db2.gz FIWVOYFFFZVOLK-SNVBAGLBSA-N 1 0 308.430 0.221 10 30 DCEERO C[NH+]=C(NCCc1ccncc1)N1CCN(C2CC2)C(=O)C1 ZINC000262746899 526364968 /nfs/dbraw/zinc/36/49/68/526364968.db2.gz ANABWNYADXPQOI-UHFFFAOYSA-N 1 0 301.394 0.506 10 30 DCEERO C[NH+]=C(NCCn1cc(C)cn1)NC1CCN(C(C)=O)CC1 ZINC000262491270 526366803 /nfs/dbraw/zinc/36/68/03/526366803.db2.gz MAQFESHNECLOQV-UHFFFAOYSA-N 1 0 306.414 0.367 10 30 DCEERO C[NH+]=C(NC[C@@H]1COCCO1)NC[C@](C)(O)c1ccc(C)o1 ZINC000262357859 526373358 /nfs/dbraw/zinc/37/33/58/526373358.db2.gz IGPOWGNJFHGLPV-DOMZBBRYSA-N 1 0 311.382 0.376 10 30 DCEERO C[NH+]=C(NCc1cc(C)no1)N1CCN(Cc2ccon2)CC1 ZINC000152827782 526380774 /nfs/dbraw/zinc/38/07/74/526380774.db2.gz NYRQLBSGTQJHJI-UHFFFAOYSA-N 1 0 318.381 0.864 10 30 DCEERO C[NH+]=C(NCc1ccnc(C)n1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261710269 526386264 /nfs/dbraw/zinc/38/62/64/526386264.db2.gz HBZNNNSVHCBXPF-INIZCTEOSA-N 1 0 316.409 0.463 10 30 DCEERO C[NH+]=C(NCc1cnc(C)s1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262431091 526389239 /nfs/dbraw/zinc/38/92/39/526389239.db2.gz FCBQYLGSTNFFCR-CYBMUJFWSA-N 1 0 323.466 0.933 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000262389046 526396342 /nfs/dbraw/zinc/39/63/42/526396342.db2.gz LSRNTGJHZBRTNB-WVWOOGAGSA-N 1 0 308.426 0.586 10 30 DCEERO C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)[NH2+]C)cc2C1=O ZINC000261798961 526409817 /nfs/dbraw/zinc/40/98/17/526409817.db2.gz RPNSTSZXLLMWST-JTQLQIEISA-N 1 0 301.346 0.806 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000173892493 526428388 /nfs/dbraw/zinc/42/83/88/526428388.db2.gz BSJWWYLPTPNEJC-MRXNPFEDSA-N 1 0 322.453 0.753 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262585302 526534302 /nfs/dbraw/zinc/53/43/02/526534302.db2.gz ZPTZJCAQPVDJCW-INIZCTEOSA-N 1 0 316.405 0.133 10 30 DCEERO C#CCC(CC#C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000376657895 526674820 /nfs/dbraw/zinc/67/48/20/526674820.db2.gz WOZACJLLACOVSM-KRWDZBQOSA-N 1 0 317.433 0.172 10 30 DCEERO C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000183182935 527085650 /nfs/dbraw/zinc/08/56/50/527085650.db2.gz ANUJSDPBOAUVKC-AWEZNQCLSA-N 1 0 305.378 0.740 10 30 DCEERO C#CCSCCNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158619206 527135850 /nfs/dbraw/zinc/13/58/50/527135850.db2.gz XAGDNPFIXHLPEZ-UHFFFAOYSA-N 1 0 317.480 0.437 10 30 DCEERO CCCNC(=[NH2+])NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000263273384 528162404 /nfs/dbraw/zinc/16/24/04/528162404.db2.gz PRORSKGINSWEQY-GFCCVEGCSA-N 1 0 316.413 0.655 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCc2nnc(C)n2C1 ZINC000262402415 528810156 /nfs/dbraw/zinc/81/01/56/528810156.db2.gz HSNPBAGUJAQUQB-KBPBESRZSA-N 1 0 320.441 0.883 10 30 DCEERO CC[NH+]=C(NCc1c(C)nn(C)c1C)N[C@H]1CCC(=O)NC1 ZINC000262762784 528816205 /nfs/dbraw/zinc/81/62/05/528816205.db2.gz DYAVZRWSPFJYGI-LBPRGKRZSA-N 1 0 306.414 0.371 10 30 DCEERO CC[NH+]=C(NCc1c(C)noc1C)NC[C@H]1CN(C)CCO1 ZINC000156045432 528828836 /nfs/dbraw/zinc/82/88/36/528828836.db2.gz JSPQFAVSIDWZLE-ZDUSSCGKSA-N 1 0 309.414 0.677 10 30 DCEERO C[NH+]=C(NCC1(O)CCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261951532 661919581 /nfs/dbraw/zinc/91/95/81/661919581.db2.gz HNLQZBHTAIEKSS-UHFFFAOYSA-N 1 0 317.455 0.376 10 30 DCEERO CO[C@@]1(C[NH2+]Cc2cc(C#N)cs2)CCS(=O)(=O)C1 ZINC000721203947 685318566 /nfs/dbraw/zinc/31/85/66/685318566.db2.gz FTTQUBODMMWHDE-GFCCVEGCSA-N 1 0 300.405 0.913 10 30 DCEERO NC(=O)[C@@H](CNC(=[NH2+])N1CCSCC1)Cc1ccc(F)cc1 ZINC000303879642 685207910 /nfs/dbraw/zinc/20/79/10/685207910.db2.gz JSWZKUDISXGCHC-GFCCVEGCSA-N 1 0 324.425 0.833 10 30 DCEERO Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)c1C#N ZINC000174006998 198280754 /nfs/dbraw/zinc/28/07/54/198280754.db2.gz NKKDCSFVLQRGMF-LBPRGKRZSA-N 1 0 300.362 0.968 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(N)=O)nc2)CC1 ZINC000179873793 199090104 /nfs/dbraw/zinc/09/01/04/199090104.db2.gz MLLPWQXRRBXZFX-UHFFFAOYSA-N 1 0 303.366 0.952 10 30 DCEERO [NH2+]=C(NCc1ncn(Cc2cccc(F)c2)n1)N1CCOCC1 ZINC000262770964 238180524 /nfs/dbraw/zinc/18/05/24/238180524.db2.gz HFPHEALPMRDKER-UHFFFAOYSA-N 1 0 318.356 0.612 10 30 DCEERO Cn1ncc(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000263176792 238185537 /nfs/dbraw/zinc/18/55/37/238185537.db2.gz UCEIFGDMFYXREA-UHFFFAOYSA-N 1 0 317.372 0.591 10 30 DCEERO CN1CCO[C@H](C[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000247034074 395964592 /nfs/dbraw/zinc/96/45/92/395964592.db2.gz GLCAGUQCJXZVQW-CVEARBPZSA-N 1 0 314.389 0.584 10 30 DCEERO C=CC[C@H](CO)NC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000183068727 396260002 /nfs/dbraw/zinc/26/00/02/396260002.db2.gz HCBXRCOPNWDLNT-OAHLLOKOSA-N 1 0 312.458 0.640 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](COC)C1CCOCC1 ZINC000594713098 396499711 /nfs/dbraw/zinc/49/97/11/396499711.db2.gz YHULWURLIRPHPL-YPMHNXCESA-N 1 0 313.398 0.418 10 30 DCEERO C=CCn1c(-c2nnn(C)c2C)nnc1N1CC[NH+](CC)CC1 ZINC000580815899 396501703 /nfs/dbraw/zinc/50/17/03/396501703.db2.gz VTYOUMGAKHBPHQ-UHFFFAOYSA-N 1 0 316.413 0.710 10 30 DCEERO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccnc(C#N)c2)CC1 ZINC000193251672 396446889 /nfs/dbraw/zinc/44/68/89/396446889.db2.gz UKDRUNBQTIPASO-AWEZNQCLSA-N 1 0 315.421 0.957 10 30 DCEERO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccnc(C#N)c2)CC1 ZINC000193251684 396446916 /nfs/dbraw/zinc/44/69/16/396446916.db2.gz UKDRUNBQTIPASO-CQSZACIVSA-N 1 0 315.421 0.957 10 30 DCEERO C=CCCSCCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595284504 396579966 /nfs/dbraw/zinc/57/99/66/396579966.db2.gz SGKJHXSBDAAUHD-GHMZBOCLSA-N 1 0 303.403 0.310 10 30 DCEERO Cc1ccc(N(C)C[C@@H](O)CN2CC[NH+](C)CC2)nc1C#N ZINC000302652047 396722407 /nfs/dbraw/zinc/72/24/07/396722407.db2.gz NGCUNLSTYQYTLD-CQSZACIVSA-N 1 0 303.410 0.306 10 30 DCEERO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000611194945 396832342 /nfs/dbraw/zinc/83/23/42/396832342.db2.gz RTHJWHXKDVWTJS-KBPBESRZSA-N 1 0 318.377 0.235 10 30 DCEERO C=CCNC(=O)CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625942222 397035253 /nfs/dbraw/zinc/03/52/53/397035253.db2.gz VTEFWCYQDNZCJD-UHFFFAOYSA-N 1 0 304.350 0.592 10 30 DCEERO C=C(C)C[C@@H](NS(=O)(=O)CC[NH+](CC)CC)C(=O)OC ZINC000601501537 397154832 /nfs/dbraw/zinc/15/48/32/397154832.db2.gz CIPHGEIIMFQMFY-GFCCVEGCSA-N 1 0 306.428 0.755 10 30 DCEERO C=C(C)C[C@@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)OC ZINC000601501728 397154911 /nfs/dbraw/zinc/15/49/11/397154911.db2.gz PPURVXZEPZVVII-CYBMUJFWSA-N 1 0 318.439 0.900 10 30 DCEERO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)n1cnc(C#N)n1 ZINC000619612763 397159626 /nfs/dbraw/zinc/15/96/26/397159626.db2.gz VAKQYPMEXJBWPC-CHWSQXEVSA-N 1 0 302.382 0.798 10 30 DCEERO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)n1cnc(C#N)n1 ZINC000619612733 397159862 /nfs/dbraw/zinc/15/98/62/397159862.db2.gz FTIJBJUPCVHIKP-OLZOCXBDSA-N 1 0 302.382 0.798 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000613602299 397286380 /nfs/dbraw/zinc/28/63/80/397286380.db2.gz IBWWNLIOADMZRV-GDBMZVCRSA-N 1 0 324.469 0.600 10 30 DCEERO Cn1cc(C#N)cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000081845029 158085694 /nfs/dbraw/zinc/08/56/94/158085694.db2.gz MLBXSLFGFJMFTA-ZDUSSCGKSA-N 1 0 302.378 0.691 10 30 DCEERO N#Cc1ccc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)c(Cl)c1 ZINC000165646239 158364513 /nfs/dbraw/zinc/36/45/13/158364513.db2.gz PAYOMDUCWNYPNW-SNVBAGLBSA-N 1 0 315.782 0.560 10 30 DCEERO C[C@@H](O)CN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000329563094 287087293 /nfs/dbraw/zinc/08/72/93/287087293.db2.gz RXHZHJMZAGVAHO-WZYMTQMTSA-N 1 0 324.469 0.914 10 30 DCEERO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)CN1CCOCC1 ZINC000352801088 415327986 /nfs/dbraw/zinc/32/79/86/415327986.db2.gz QSBZGSVMYNCJCB-HNNXBMFYSA-N 1 0 324.421 0.843 10 30 DCEERO C[C@@H](C(=O)N(C)CCC#N)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000079491090 415474877 /nfs/dbraw/zinc/47/48/77/415474877.db2.gz WHDXHFMEQDSPOI-CABCVRRESA-N 1 0 322.453 0.932 10 30 DCEERO C#CCNC(=O)[C@@H](C)N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000105865270 415638656 /nfs/dbraw/zinc/63/86/56/415638656.db2.gz KKMLTKXAGGSYGI-OLZOCXBDSA-N 1 0 319.409 0.449 10 30 DCEERO Cn1cc([C@H]2CCN(CC(=O)N(CCC#N)CCC#N)C2)cn1 ZINC000116322478 415727346 /nfs/dbraw/zinc/72/73/46/415727346.db2.gz HIQBZHOPXQTLMY-AWEZNQCLSA-N 1 0 314.393 0.865 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc[nH]n2)CC1 ZINC000343904422 415774906 /nfs/dbraw/zinc/77/49/06/415774906.db2.gz DYPAZEDNTSOGQZ-UHFFFAOYSA-N 1 0 319.409 0.525 10 30 DCEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@H](O)C(N)=O)CC1 ZINC000299749954 416063787 /nfs/dbraw/zinc/06/37/87/416063787.db2.gz MFFXKKIGXDRBNW-JSGCOSHPSA-N 1 0 311.426 0.358 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177216751 416142506 /nfs/dbraw/zinc/14/25/06/416142506.db2.gz CWOHDQYPTVDCTI-IHRRRGAJSA-N 1 0 324.425 0.039 10 30 DCEERO CN1CCO[C@@H]2CCN(C(=O)Nc3ccn(CCC#N)n3)C[C@@H]21 ZINC000329040525 416145820 /nfs/dbraw/zinc/14/58/20/416145820.db2.gz SOZZYZDXIHYJLN-QWHCGFSZSA-N 1 0 318.381 0.734 10 30 DCEERO C=CCN1CC[C@@H]([N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)C1=O ZINC000329121243 416150780 /nfs/dbraw/zinc/15/07/80/416150780.db2.gz KLNFKNBJYORPEV-HZSPNIEDSA-N 1 0 317.393 0.758 10 30 DCEERO C[C@@H](O)C[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000329536729 416174748 /nfs/dbraw/zinc/17/47/48/416174748.db2.gz LXRMFAATUJDBNK-DGCLKSJQSA-N 1 0 307.398 0.179 10 30 DCEERO C=CCN(C[C@H](O)COCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000195188017 416325523 /nfs/dbraw/zinc/32/55/23/416325523.db2.gz QROTZZWGNXUSHB-KGLIPLIRSA-N 1 0 305.440 0.839 10 30 DCEERO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420118450 416416632 /nfs/dbraw/zinc/41/66/32/416416632.db2.gz MOFNAPQJGZRIRN-HIFRSBDPSA-N 1 0 319.405 0.951 10 30 DCEERO C=CCC[C@@H](CO)NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418664007 416388604 /nfs/dbraw/zinc/38/86/04/416388604.db2.gz AJYVZQDXWAEKRM-PCKAHOCUSA-N 1 0 324.469 0.829 10 30 DCEERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000365945414 416612201 /nfs/dbraw/zinc/61/22/01/416612201.db2.gz HWGQQKIBIQOVGQ-KCXAZCMYSA-N 1 0 317.437 0.851 10 30 DCEERO C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000371886312 416924117 /nfs/dbraw/zinc/92/41/17/416924117.db2.gz RUYJXPGWYVANSU-XJKCOSOUSA-N 1 0 317.437 0.993 10 30 DCEERO N#C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1C1CC1 ZINC000377677767 417063470 /nfs/dbraw/zinc/06/34/70/417063470.db2.gz RZABFEAWNVBTEN-CJNGLKHVSA-N 1 0 317.437 0.852 10 30 DCEERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408060904 417138500 /nfs/dbraw/zinc/13/85/00/417138500.db2.gz KEYRRTWWERBHQV-CHWSQXEVSA-N 1 0 306.410 0.915 10 30 DCEERO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(C#N)n2C)CC1 ZINC000450122556 417198556 /nfs/dbraw/zinc/19/85/56/417198556.db2.gz PRCPADDHUQBWID-UHFFFAOYSA-N 1 0 304.394 0.862 10 30 DCEERO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[NH+](CC)CC1 ZINC000573251535 417470095 /nfs/dbraw/zinc/47/00/95/417470095.db2.gz RAEIJZUVGGCJOF-ZDUSSCGKSA-N 1 0 307.398 0.694 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574071329 417478730 /nfs/dbraw/zinc/47/87/30/417478730.db2.gz LDDSKCANTOTFEP-KKUMJFAQSA-N 1 0 308.426 0.267 10 30 DCEERO N#Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCOCC2)s1 ZINC000528056306 268255082 /nfs/dbraw/zinc/25/50/82/268255082.db2.gz LYQUJOUWVGVYGA-UHFFFAOYSA-N 1 0 301.393 0.406 10 30 DCEERO C[NH+]=C(NCc1ncccc1C)N1CC[C@H](N2CCOCC2)C1 ZINC000134181617 275409166 /nfs/dbraw/zinc/40/91/66/275409166.db2.gz MESWRUKOTRTXHE-HNNXBMFYSA-N 1 0 317.437 0.872 10 30 DCEERO C[NH+]=C(NCc1nccn1CC(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000262663211 275734184 /nfs/dbraw/zinc/73/41/84/275734184.db2.gz MKCDLFZXPLJKFV-CYBMUJFWSA-N 1 0 320.441 0.825 10 30 DCEERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cnccc3C#N)[C@H]2C1 ZINC000329510452 276235199 /nfs/dbraw/zinc/23/51/99/276235199.db2.gz BSNRVQJPMGUBHI-LSDHHAIUSA-N 1 0 300.362 0.888 10 30 DCEERO C[NH+]=C(NCC(=O)NC(C)(C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261859481 276840738 /nfs/dbraw/zinc/84/07/38/276840738.db2.gz ZBZODBVRCRUQEE-INIZCTEOSA-N 1 0 323.441 0.079 10 30 DCEERO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(C)(C#N)CC2)CC1=O ZINC000357454657 289156036 /nfs/dbraw/zinc/15/60/36/289156036.db2.gz HUSBDYBVCQUFDU-ZDUSSCGKSA-N 1 0 306.410 0.549 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000369121594 289238281 /nfs/dbraw/zinc/23/82/81/289238281.db2.gz HOSXIMRXHBKBTG-FRRDWIJNSA-N 1 0 300.428 0.349 10 30 DCEERO COC[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000329735258 293232153 /nfs/dbraw/zinc/23/21/53/293232153.db2.gz RWJUEELGRQXRND-OAHLLOKOSA-N 1 0 311.426 0.917 10 30 DCEERO O=C(Cn1ccc(=O)[nH]c1=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330042570 336108679 /nfs/dbraw/zinc/10/86/79/336108679.db2.gz DSNDKKYWHPWWMN-UHFFFAOYSA-N 1 0 306.366 0.922 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000425891848 338018570 /nfs/dbraw/zinc/01/85/70/338018570.db2.gz PQKCEOIQCKIYHN-VIRABCJISA-N 1 0 321.421 0.293 10 30 DCEERO NC(=O)c1cnn2c1C[C@@H](CNC(=[NH2+])N1CCCCCC1)CC2 ZINC000261982295 534511462 /nfs/dbraw/zinc/51/14/62/534511462.db2.gz WMZRDZMQGPSSSG-LBPRGKRZSA-N 1 0 318.425 0.735 10 30 DCEERO CNC(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)=[NH+]C ZINC000263292930 526344373 /nfs/dbraw/zinc/34/43/73/526344373.db2.gz XDUZNVPWURMIPI-NSHDSACASA-N 1 0 302.386 0.136 10 30 DCEERO C[NH+]=C(NCCn1cccn1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262486447 526367237 /nfs/dbraw/zinc/36/72/37/526367237.db2.gz SQNINWNGIOFYFA-ZDUSSCGKSA-N 1 0 301.398 0.682 10 30 DCEERO C[NH+]=C(NCCn1ccnc1C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261700899 526368020 /nfs/dbraw/zinc/36/80/20/526368020.db2.gz GESICNXSYLUHEX-INIZCTEOSA-N 1 0 318.425 0.369 10 30 DCEERO C[NH+]=C(NC[C@]1(O)CCSC1)N(C)CC(=O)NC(C)(C)C ZINC000262440672 526379740 /nfs/dbraw/zinc/37/97/40/526379740.db2.gz UPAFJOHWEWWZGK-CQSZACIVSA-N 1 0 316.471 0.276 10 30 DCEERO C[NH+]=C(NCc1ccnn1C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261758955 526386488 /nfs/dbraw/zinc/38/64/88/526386488.db2.gz MSMVIZSDGGUYGS-HNNXBMFYSA-N 1 0 304.398 0.098 10 30 DCEERO C[NH+]=C(NCc1nncn1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261809550 526393612 /nfs/dbraw/zinc/39/36/12/526393612.db2.gz HPVHGSUHMOPPQF-UHFFFAOYSA-N 1 0 321.429 0.222 10 30 DCEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000262007603 526394669 /nfs/dbraw/zinc/39/46/69/526394669.db2.gz VYASSQAHYBATGA-SOUVJXGZSA-N 1 0 321.469 0.599 10 30 DCEERO C[NH+]=C(NCC(=O)N1CCCC1)NCc1nnc2ccccn21 ZINC000171621168 526411775 /nfs/dbraw/zinc/41/17/75/526411775.db2.gz GGDUORLGASWNEH-UHFFFAOYSA-N 1 0 315.381 0.017 10 30 DCEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000253374569 526624551 /nfs/dbraw/zinc/62/45/51/526624551.db2.gz MUAFPQIWWWIVRK-ZIAGYGMSSA-N 1 0 309.410 0.248 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CC[C@H](N3CCOCC3)C2)CC1 ZINC000172750152 526922631 /nfs/dbraw/zinc/92/26/31/526922631.db2.gz RDHSCDCRTDHZHN-INIZCTEOSA-N 1 0 305.422 0.265 10 30 DCEERO CC(C)(C#N)CCC[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000174811035 527464776 /nfs/dbraw/zinc/46/47/76/527464776.db2.gz CQXOOLBPOBTIMK-UHFFFAOYSA-N 1 0 322.453 0.793 10 30 DCEERO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CC2(CO)CC2)CC1 ZINC000186795136 528336026 /nfs/dbraw/zinc/33/60/26/528336026.db2.gz VWQYPEVXZXXDJC-OAHLLOKOSA-N 1 0 322.453 0.383 10 30 DCEERO CC[NH+]=C(NCCN(C)CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158642175 528804902 /nfs/dbraw/zinc/80/49/02/528804902.db2.gz GZKYQQILPYQQTA-UHFFFAOYSA-N 1 0 318.487 0.413 10 30 DCEERO CC[NH+]=C(NCc1nc(C)no1)NCc1nnc2ccccn21 ZINC000262946168 528818983 /nfs/dbraw/zinc/81/89/83/528818983.db2.gz AWPBWAQGGYCMLT-UHFFFAOYSA-N 1 0 314.353 0.676 10 30 DCEERO C[NH+]1CCC(NC(=S)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000732625808 664949056 /nfs/dbraw/zinc/94/90/56/664949056.db2.gz MVUVFGKZKKBPOU-CQSZACIVSA-N 1 0 307.467 0.627 10 30 DCEERO CN(C)C(=O)C[C@]1(O)CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000886097016 667732412 /nfs/dbraw/zinc/73/24/12/667732412.db2.gz RFRGNSKTIPHJSX-MRXNPFEDSA-N 1 0 304.394 0.702 10 30 DCEERO O=C(C[N+]12CCN(CC1)CC2)NC(=O)NCc1ccccc1 ZINC000022307512 717113524 /nfs/dbraw/zinc/11/35/24/717113524.db2.gz UIJYNDROLLDTFI-UHFFFAOYSA-O 1 0 303.386 0.158 10 30 DCEERO Cc1c(NC(=O)C[N+]23CCN(CC2)CC3)cccc1[N+](=O)[O-] ZINC000022307233 717113602 /nfs/dbraw/zinc/11/36/02/717113602.db2.gz JHPDBKDMGOOGHR-UHFFFAOYSA-O 1 0 305.358 0.988 10 30 DCEERO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(C#N)cn2C)CC1 ZINC000081758295 192319953 /nfs/dbraw/zinc/31/99/53/192319953.db2.gz QNKMHQRDDPKTQI-CYBMUJFWSA-N 1 0 303.410 0.653 10 30 DCEERO Cc1ccc(NC(=[NH2+])NC[C@H]2CS(=O)(=O)CCO2)cc1C ZINC000262686197 238178684 /nfs/dbraw/zinc/17/86/84/238178684.db2.gz YLFIQFRNACAWMO-ZDUSSCGKSA-N 1 0 311.407 0.844 10 30 DCEERO C[C@H](C(=O)N(C)CCC#N)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000249692646 238163478 /nfs/dbraw/zinc/16/34/78/238163478.db2.gz WHDXHFMEQDSPOI-HUUCEWRRSA-N 1 0 322.453 0.932 10 30 DCEERO CN(CC(N)=O)C[C@@H]1CN(c2cccc(F)c2C#N)CCO1 ZINC000275529312 130329622 /nfs/dbraw/zinc/32/96/22/130329622.db2.gz DOAPSIYRQXBFPY-LLVKDONJSA-N 1 0 306.341 0.320 10 30 DCEERO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccccc2C#N)CCO1 ZINC000116786786 395845665 /nfs/dbraw/zinc/84/56/65/395845665.db2.gz IQYCICZYZNQEFY-CQSZACIVSA-N 1 0 303.362 0.726 10 30 DCEERO Cc1oc(NC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)c(C#N)c1C ZINC000155304439 396049507 /nfs/dbraw/zinc/04/95/07/396049507.db2.gz KWMABHAGSCAXCX-ZDUSSCGKSA-N 1 0 320.393 0.969 10 30 DCEERO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586812016 396666818 /nfs/dbraw/zinc/66/68/18/396666818.db2.gz QFRGASIQFKZDID-LLVKDONJSA-N 1 0 320.368 0.770 10 30 DCEERO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cncc(C#N)c1 ZINC000596052056 396711812 /nfs/dbraw/zinc/71/18/12/396711812.db2.gz RQAXHYNOXRMTOZ-VIFPVBQESA-N 1 0 308.285 0.463 10 30 DCEERO Cc1cc(C#N)nc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000376170182 396887647 /nfs/dbraw/zinc/88/76/47/396887647.db2.gz BMMNZQUKVGLGAP-OAHLLOKOSA-N 1 0 300.410 0.873 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478441 397187164 /nfs/dbraw/zinc/18/71/64/397187164.db2.gz CMTXLEJLTMYGHT-MJBXVCDLSA-N 1 0 308.426 0.851 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478440 397187450 /nfs/dbraw/zinc/18/74/50/397187450.db2.gz CMTXLEJLTMYGHT-MELADBBJSA-N 1 0 308.426 0.851 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620474581 397275950 /nfs/dbraw/zinc/27/59/50/397275950.db2.gz HHPUNLRFFFYASG-HOTGVXAUSA-N 1 0 323.437 0.515 10 30 DCEERO C=CCC1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCOCC1 ZINC000614512775 397457993 /nfs/dbraw/zinc/45/79/93/397457993.db2.gz CGIUGPCLNKPPQT-OAHLLOKOSA-N 1 0 307.438 0.865 10 30 DCEERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000170843464 158377121 /nfs/dbraw/zinc/37/71/21/158377121.db2.gz CTUVAYGBUHEPLV-LBPRGKRZSA-N 1 0 304.325 0.798 10 30 DCEERO C[C@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1CCO ZINC000249550359 287113673 /nfs/dbraw/zinc/11/36/73/287113673.db2.gz HSWACPUCOKEXMD-GOEBONIOSA-N 1 0 319.405 0.296 10 30 DCEERO C=CC[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000514891232 412279340 /nfs/dbraw/zinc/27/93/40/412279340.db2.gz QTPNJJPEAROLKL-LLVKDONJSA-N 1 0 315.333 0.259 10 30 DCEERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CSCC#N)CC1 ZINC000107282740 415663128 /nfs/dbraw/zinc/66/31/28/415663128.db2.gz HKJKHAVCBMJCKM-CQSZACIVSA-N 1 0 310.467 0.872 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC000343764478 415717104 /nfs/dbraw/zinc/71/71/04/415717104.db2.gz LHYXJRQMZVLXDE-UKRRQHHQSA-N 1 0 323.437 0.636 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC000343764476 415717829 /nfs/dbraw/zinc/71/78/29/415717829.db2.gz LHYXJRQMZVLXDE-DZGCQCFKSA-N 1 0 323.437 0.636 10 30 DCEERO C=CCNC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000117467812 415731418 /nfs/dbraw/zinc/73/14/18/415731418.db2.gz LZZOMNJPQDSNJH-OAHLLOKOSA-N 1 0 310.442 0.609 10 30 DCEERO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000131612668 415928853 /nfs/dbraw/zinc/92/88/53/415928853.db2.gz GKYYSIIHYWCEJM-AWEZNQCLSA-N 1 0 304.398 0.752 10 30 DCEERO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000131524563 415928878 /nfs/dbraw/zinc/92/88/78/415928878.db2.gz JQAMWRCMOFXAMR-CQSZACIVSA-N 1 0 305.382 0.346 10 30 DCEERO C#Cc1ccc(CNC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000297443024 415963224 /nfs/dbraw/zinc/96/32/24/415963224.db2.gz AZSQZGINRSIOGJ-UHFFFAOYSA-N 1 0 301.390 0.924 10 30 DCEERO CO[C@@H]1C[C@@H](CO)N(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000329088842 416150196 /nfs/dbraw/zinc/15/01/96/416150196.db2.gz VSZDYKIRFOMEFK-SCRDCRAPSA-N 1 0 317.455 0.419 10 30 DCEERO Cc1nc(C(=O)NCC2CC[NH+](CCO)CC2)ccc1C#N ZINC000177834606 416153569 /nfs/dbraw/zinc/15/35/69/416153569.db2.gz UBTYOXMTYPQSOG-UHFFFAOYSA-N 1 0 302.378 0.696 10 30 DCEERO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329248859 416157620 /nfs/dbraw/zinc/15/76/20/416157620.db2.gz AMJTTYWVZGVDBT-RWMBFGLXSA-N 1 0 308.386 0.158 10 30 DCEERO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329248857 416157944 /nfs/dbraw/zinc/15/79/44/416157944.db2.gz AMJTTYWVZGVDBT-FRRDWIJNSA-N 1 0 308.386 0.158 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000424544442 416663195 /nfs/dbraw/zinc/66/31/95/416663195.db2.gz KWHYPNREISCILN-XBFCOCLRSA-N 1 0 309.410 0.280 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000425910976 416735649 /nfs/dbraw/zinc/73/56/49/416735649.db2.gz ZMUQZWWBEIFGAU-XQLPTFJDSA-N 1 0 323.437 0.635 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000372587725 416940368 /nfs/dbraw/zinc/94/03/68/416940368.db2.gz RJZUMDSNXGXCQC-FRRDWIJNSA-N 1 0 300.428 0.491 10 30 DCEERO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(C#N)n2C)CC1 ZINC000448976112 417113785 /nfs/dbraw/zinc/11/37/85/417113785.db2.gz KWKYQQCYKFBGIA-UHFFFAOYSA-N 1 0 317.437 0.900 10 30 DCEERO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC12COC2 ZINC000451137840 417305340 /nfs/dbraw/zinc/30/53/40/417305340.db2.gz PQKYKPQSMOVECG-QWHCGFSZSA-N 1 0 323.393 0.258 10 30 DCEERO C=CC(C)(C)CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000627412468 417399796 /nfs/dbraw/zinc/39/97/96/417399796.db2.gz MMSZGJHUNZWRLI-VXGBXAGGSA-N 1 0 311.426 0.934 10 30 DCEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CCCn2nc(C)nc21 ZINC000262800514 273481898 /nfs/dbraw/zinc/48/18/98/273481898.db2.gz RAKSIFNCMGWDDM-BDAKNGLRSA-N 1 0 320.319 0.510 10 30 DCEERO C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1CCCn2nc(C)nc21 ZINC000262810478 277749913 /nfs/dbraw/zinc/74/99/13/277749913.db2.gz VAMSUCXDKZNAJA-GFCCVEGCSA-N 1 0 306.414 0.892 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000372589399 289238341 /nfs/dbraw/zinc/23/83/41/289238341.db2.gz UANACQUFQLBPSA-MCIONIFRSA-N 1 0 314.455 0.881 10 30 DCEERO C=CC[C@H](CO)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000185779022 335149367 /nfs/dbraw/zinc/14/93/67/335149367.db2.gz NQAHNQZYDWLZGQ-CVEARBPZSA-N 1 0 304.390 0.941 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000425908572 338018692 /nfs/dbraw/zinc/01/86/92/338018692.db2.gz IQSBUSXTZICLMD-MJBXVCDLSA-N 1 0 309.410 0.294 10 30 DCEERO C=CCN(CCC#N)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000428854767 338062476 /nfs/dbraw/zinc/06/24/76/338062476.db2.gz CBOTZJREIFJBAL-MRXNPFEDSA-N 1 0 322.453 0.861 10 30 DCEERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000173451974 340365231 /nfs/dbraw/zinc/36/52/31/340365231.db2.gz VUOCYJFYALHVOB-LSDHHAIUSA-N 1 0 310.442 0.383 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCCOc2ccc3c(c2)OCO3)CCO1 ZINC000262500349 533788662 /nfs/dbraw/zinc/78/86/62/533788662.db2.gz YAGFGRCOXXHSIR-NSHDSACASA-N 1 0 307.350 0.830 10 30 DCEERO C[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1CCO ZINC000187692053 533946157 /nfs/dbraw/zinc/94/61/57/533946157.db2.gz HSWACPUCOKEXMD-HOCLYGCPSA-N 1 0 319.405 0.296 10 30 DCEERO C[C@@H]1CN(C(=O)c2cc(C#N)cn2C)CC[N@@H+]1CC(C)(C)O ZINC000186935825 534398855 /nfs/dbraw/zinc/39/88/55/534398855.db2.gz XJCCQTHPMOXCRY-GFCCVEGCSA-N 1 0 304.394 0.814 10 30 DCEERO C=CCn1cc(CNC(=O)NC[C@H]2CCCC[N@H+]2CCO)nn1 ZINC000425875029 534460098 /nfs/dbraw/zinc/46/00/98/534460098.db2.gz LZPJTBQVJBPWDH-CQSZACIVSA-N 1 0 322.413 0.110 10 30 DCEERO C[NH+]=C(NCC(=O)N1CCCC1)NCc1nnc(C(C)C)s1 ZINC000261768499 526346003 /nfs/dbraw/zinc/34/60/03/526346003.db2.gz NTLRTVRXABZOJV-UHFFFAOYSA-N 1 0 324.454 0.949 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@H]1CCC(=O)NC1 ZINC000262764810 526371262 /nfs/dbraw/zinc/37/12/62/526371262.db2.gz FSWURMFDGMPMOG-STQMWFEESA-N 1 0 316.405 0.996 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N1CCN(C2CC2)C(=O)C1 ZINC000262451226 526396211 /nfs/dbraw/zinc/39/62/11/526396211.db2.gz VZVKLJNUCYSDDN-NWANDNLSSA-N 1 0 320.437 0.682 10 30 DCEERO C#CCNC(=O)CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000268852571 526985264 /nfs/dbraw/zinc/98/52/64/526985264.db2.gz YEFJBEPTBLAQEE-LBPRGKRZSA-N 1 0 308.403 0.880 10 30 DCEERO C#CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174885216 527025866 /nfs/dbraw/zinc/02/58/66/527025866.db2.gz HRQJXRZJMACGSS-HOTGVXAUSA-N 1 0 306.454 0.226 10 30 DCEERO C=CC[C@@H](CO)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000183520578 527088634 /nfs/dbraw/zinc/08/86/34/527088634.db2.gz RKPSJZKQTYUJPA-ZFWWWQNUSA-N 1 0 311.426 0.724 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCCO1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261666745 528808962 /nfs/dbraw/zinc/80/89/62/528808962.db2.gz BNHNSGCFEZPDRR-XJKSGUPXSA-N 1 0 308.426 0.733 10 30 DCEERO CC[NH+]=C(NC[C@@](C)(O)CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158602032 528813601 /nfs/dbraw/zinc/81/36/01/528813601.db2.gz PARIYOIEJQTNOF-AWEZNQCLSA-N 1 0 319.471 0.622 10 30 DCEERO CC[NH+]=C(NC[C@H](O)C(F)(F)F)N1CCN(C2CC2)C(=O)C1 ZINC000262813837 528814403 /nfs/dbraw/zinc/81/44/03/528814403.db2.gz VYSCWTCNMMQTHX-JTQLQIEISA-N 1 0 322.331 0.182 10 30 DCEERO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@H+](C)C[C@H]2C)CC1 ZINC000408099847 528900956 /nfs/dbraw/zinc/90/09/56/528900956.db2.gz QEVHCYGKCAMGMW-CVEARBPZSA-N 1 0 321.469 0.315 10 30 DCEERO C=CCN1CC[C@H]([N@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)C1=O ZINC000337263841 661267938 /nfs/dbraw/zinc/26/79/38/661267938.db2.gz XGBSAEQAOZMFDK-HEHGZKQESA-N 1 0 308.378 0.285 10 30 DCEERO C[NH+]=C(NCCCCCC(=O)OC)NCCN1CCOCC1 ZINC000104155227 658188453 /nfs/dbraw/zinc/18/84/53/658188453.db2.gz YCJRVKMCWHIXFB-UHFFFAOYSA-N 1 0 314.430 0.217 10 30 DCEERO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000262381716 662359692 /nfs/dbraw/zinc/35/96/92/662359692.db2.gz KMUHNGQIFAWVHG-WCQYABFASA-N 1 0 316.471 0.941 10 30 DCEERO Cc1c(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cnn1CCC#N ZINC000897834410 662928230 /nfs/dbraw/zinc/92/82/30/662928230.db2.gz HOPKPVSHODZRIY-UKRRQHHQSA-N 1 0 319.409 0.632 10 30 DCEERO C#CCOc1ccc(C[NH2+]C[C@@H](O)CN2CCCC2=O)cc1 ZINC000733326292 666485186 /nfs/dbraw/zinc/48/51/86/666485186.db2.gz UVRKJPJBUFOTLL-OAHLLOKOSA-N 1 0 302.374 0.772 10 30 DCEERO Cn1cnnc1C[C@]1(O)CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000886088121 667730733 /nfs/dbraw/zinc/73/07/33/667730733.db2.gz CCXBYQPRSBGLQH-MRXNPFEDSA-N 1 0 314.393 0.595 10 30 DCEERO C[NH+](C)CC1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000742393579 667790488 /nfs/dbraw/zinc/79/04/88/667790488.db2.gz PDVMNJKQRKHZLQ-UHFFFAOYSA-N 1 0 322.434 0.984 10 30 DCEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192579532 670184145 /nfs/dbraw/zinc/18/41/45/670184145.db2.gz XBTIWBJXCCKOBN-WDEREUQCSA-N 1 0 309.391 0.123 10 30 DCEERO COC(=O)c1ccc(C)c(NC(=O)C[N+]23CCN(CC2)CC3)c1 ZINC000029219909 717116796 /nfs/dbraw/zinc/11/67/96/717116796.db2.gz BCHRHJGMWGIKBF-UHFFFAOYSA-O 1 0 318.397 0.866 10 30 DCEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N(C)C[C@H](C)C#N ZINC000372587713 529408142 /nfs/dbraw/zinc/40/81/42/529408142.db2.gz RIGNXFNBUFJSSF-MGPQQGTHSA-N 1 0 314.455 0.881 10 30 DCEERO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(C#N)cn2C)CC1 ZINC000081758502 192319959 /nfs/dbraw/zinc/31/99/59/192319959.db2.gz ZCYDJDYIZSEPTK-AWEZNQCLSA-N 1 0 317.437 0.900 10 30 DCEERO CN(C)C(=O)CNC(NCc1nnc2ccccn21)=[NH+]C1CC1 ZINC000263256446 238185488 /nfs/dbraw/zinc/18/54/88/238185488.db2.gz QUONMEODMICWEQ-UHFFFAOYSA-N 1 0 315.381 0.015 10 30 DCEERO CN1CCO[C@@H](C[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000247034119 395964906 /nfs/dbraw/zinc/96/49/06/395964906.db2.gz GLCAGUQCJXZVQW-HOTGVXAUSA-N 1 0 314.389 0.584 10 30 DCEERO C[NH+](C)[C@@H]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000170860126 396099345 /nfs/dbraw/zinc/09/93/45/396099345.db2.gz ZNOFYMQMQFOFTI-CQSZACIVSA-N 1 0 300.362 0.451 10 30 DCEERO C=CCNC(=O)NC(=O)CN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000328556423 396823409 /nfs/dbraw/zinc/82/34/09/396823409.db2.gz AICWGGSAKDZCHW-LBPRGKRZSA-N 1 0 302.378 0.636 10 30 DCEERO N#Cc1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c(F)c1 ZINC000611203739 396833870 /nfs/dbraw/zinc/83/38/70/396833870.db2.gz NUQQFAMCLYCHOC-OAHLLOKOSA-N 1 0 302.353 0.703 10 30 DCEERO C=CC[C@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH2+]C)C1 ZINC000629805668 396842039 /nfs/dbraw/zinc/84/20/39/396842039.db2.gz OLSNFJQSTFMAPP-AWEZNQCLSA-N 1 0 311.426 0.496 10 30 DCEERO C=CCSCCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000591372997 396912172 /nfs/dbraw/zinc/91/21/72/396912172.db2.gz IWSAKKLIXXLPED-HNNXBMFYSA-N 1 0 311.451 0.624 10 30 DCEERO C=CC[C@@H]1CCN(CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000625702183 396982668 /nfs/dbraw/zinc/98/26/68/396982668.db2.gz ULYYNKGYFIUIKE-ZIAGYGMSSA-N 1 0 314.451 0.920 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)CC1 ZINC000593340500 397353699 /nfs/dbraw/zinc/35/36/99/397353699.db2.gz YNVWURVPDURPQO-RXSFTSLZSA-N 1 0 311.451 0.942 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000425470019 397405671 /nfs/dbraw/zinc/40/56/71/397405671.db2.gz GAWSWTFRWPDFAW-ZFWWWQNUSA-N 1 0 311.426 0.988 10 30 DCEERO CO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)[C@@H](C[NH3+])C1 ZINC000262415523 286060538 /nfs/dbraw/zinc/06/05/38/286060538.db2.gz DMXZURRQSFWTPH-KGLIPLIRSA-N 1 0 323.418 0.994 10 30 DCEERO CCN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000128116488 158278861 /nfs/dbraw/zinc/27/88/61/158278861.db2.gz HIFTTWJVTTWCRZ-UHFFFAOYSA-N 1 0 307.419 0.969 10 30 DCEERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000118856375 286943040 /nfs/dbraw/zinc/94/30/40/286943040.db2.gz USVKQAWRXDOZMC-GDBMZVCRSA-N 1 0 310.442 0.429 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CCN(CCOCC)[C@@H](C)C1 ZINC000105834454 415635240 /nfs/dbraw/zinc/63/52/40/415635240.db2.gz UHCAYFLXOWUZJM-ZDUSSCGKSA-N 1 0 312.414 0.041 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CCOC)[C@H](C)C1 ZINC000105833557 415635598 /nfs/dbraw/zinc/63/55/98/415635598.db2.gz OQSIIEQOLXDKEK-OLZOCXBDSA-N 1 0 312.414 0.039 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCSCC2)CC1 ZINC000286732656 415635745 /nfs/dbraw/zinc/63/57/45/415635745.db2.gz RQGSUQYAQKKXPD-UHFFFAOYSA-N 1 0 311.451 0.719 10 30 DCEERO C=CCOc1ccc(CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000354192081 415781274 /nfs/dbraw/zinc/78/12/74/415781274.db2.gz VRJUTORDSJRFOG-CQSZACIVSA-N 1 0 301.346 0.987 10 30 DCEERO CC[C@H]1CN(C(=O)c2cc(C#N)cn2C)CC[N@@H+]1C[C@@H](C)O ZINC000176279634 416123590 /nfs/dbraw/zinc/12/35/90/416123590.db2.gz FINBADQCMCUQGQ-OCCSQVGLSA-N 1 0 304.394 0.814 10 30 DCEERO C=CCCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000341998874 416264241 /nfs/dbraw/zinc/26/42/41/416264241.db2.gz OFVAROKXJBBYRD-CQSZACIVSA-N 1 0 309.410 0.390 10 30 DCEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000193110106 416311925 /nfs/dbraw/zinc/31/19/25/416311925.db2.gz FAMJCJRSSGSPKJ-GHMZBOCLSA-N 1 0 311.407 0.675 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000583437454 416466123 /nfs/dbraw/zinc/46/61/23/416466123.db2.gz PHMMSQIUKHWVII-ILXRZTDVSA-N 1 0 311.426 0.940 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000424546767 416664223 /nfs/dbraw/zinc/66/42/23/416664223.db2.gz NQJGHEAWKPISSV-RQJABVFESA-N 1 0 309.410 0.137 10 30 DCEERO C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)n1cnc(C#N)n1 ZINC000547386035 288042105 /nfs/dbraw/zinc/04/21/05/288042105.db2.gz CMSRSOITZANYBZ-QWHCGFSZSA-N 1 0 302.382 0.798 10 30 DCEERO CC[C@H]1CN([C@@H](C)C(=O)N(C)CCC#N)CC[N@@H+]1CCOC ZINC000105836533 281174492 /nfs/dbraw/zinc/17/44/92/281174492.db2.gz OWPSADIRIYCPFV-GJZGRUSLSA-N 1 0 310.442 0.790 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCc2ccc(S(C)(=O)=O)s2)CCO1 ZINC000262469232 534271834 /nfs/dbraw/zinc/27/18/34/534271834.db2.gz OJICATORQPJFGV-SECBINFHSA-N 1 0 317.436 0.687 10 30 DCEERO C=CCN(CCOC)C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420121501 534833426 /nfs/dbraw/zinc/83/34/26/534833426.db2.gz KHZNFVNNBSJPDY-CYBMUJFWSA-N 1 0 319.405 0.984 10 30 DCEERO C[NH+]=C(NCCc1cccc(O)c1)N1CCN(C2CC2)C(=O)C1 ZINC000262803849 526365117 /nfs/dbraw/zinc/36/51/17/526365117.db2.gz SANNGQRIGAKZJR-UHFFFAOYSA-N 1 0 316.405 0.817 10 30 DCEERO C[NH+]=C(NCc1ccnn1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261946168 526386232 /nfs/dbraw/zinc/38/62/32/526386232.db2.gz NICCBVJLLJNIFV-UHFFFAOYSA-N 1 0 320.441 0.827 10 30 DCEERO C[NH+]=C(NCc1cnn(C)c1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000262040587 526389006 /nfs/dbraw/zinc/38/90/06/526389006.db2.gz YHKSVDBUARMMBM-UHFFFAOYSA-N 1 0 320.441 0.827 10 30 DCEERO C[NH+]=C(NCc1noc(C)n1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261855312 526393264 /nfs/dbraw/zinc/39/32/64/526393264.db2.gz XSYYCLNTMFLXQT-CYBMUJFWSA-N 1 0 322.413 0.108 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000374079642 526593526 /nfs/dbraw/zinc/59/35/26/526593526.db2.gz DRFGGVGQTDLOBP-KGLIPLIRSA-N 1 0 308.426 0.945 10 30 DCEERO C=CC[C@@H](CO)NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000183812888 527091726 /nfs/dbraw/zinc/09/17/26/527091726.db2.gz WDQDZJPAQNSEBZ-AWEZNQCLSA-N 1 0 322.409 0.758 10 30 DCEERO C=CC[C@H](CO)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000183315408 527194896 /nfs/dbraw/zinc/19/48/96/527194896.db2.gz UXZUNKXDDOENQC-OAHLLOKOSA-N 1 0 324.469 0.781 10 30 DCEERO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2C[C@H](F)C[NH2+]2)c1 ZINC000188861105 527450876 /nfs/dbraw/zinc/45/08/76/527450876.db2.gz AIPHOUTUYPKGNF-GXTWGEPZSA-N 1 0 303.337 0.765 10 30 DCEERO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246613755 527613368 /nfs/dbraw/zinc/61/33/68/527613368.db2.gz YGKYIYXNFCUWTF-JKSUJKDBSA-N 1 0 307.438 0.840 10 30 DCEERO CCO[C@@H]1C[C@H](NC(N[C@@H]2CCC(=O)NC2)=[NH+]C)C12CCC2 ZINC000262340877 527905997 /nfs/dbraw/zinc/90/59/97/527905997.db2.gz COWJMHXJIFTWNG-FRRDWIJNSA-N 1 0 308.426 0.778 10 30 DCEERO CC[NH+]=C(NCCO)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000261958138 528806608 /nfs/dbraw/zinc/80/66/08/528806608.db2.gz JIMWYCMQTBQPSE-LLVKDONJSA-N 1 0 311.817 0.861 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCOC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158612803 528811156 /nfs/dbraw/zinc/81/11/56/528811156.db2.gz CLWURFRSEIVHSI-LBPRGKRZSA-N 1 0 317.455 0.497 10 30 DCEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262573652 528819715 /nfs/dbraw/zinc/81/97/15/528819715.db2.gz NNGDOZYMJAGYAL-BFHYXJOUSA-N 1 0 308.426 0.684 10 30 DCEERO CC[NH+]=C(NCCN(C)CC)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261725182 528828294 /nfs/dbraw/zinc/82/82/94/528828294.db2.gz IUKAAKLNERZYPX-INIZCTEOSA-N 1 0 309.458 0.506 10 30 DCEERO CN(C)c1ncccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329348961 546047406 /nfs/dbraw/zinc/04/74/06/546047406.db2.gz DSOZFKOXKUBWRR-CQSZACIVSA-N 1 0 320.441 0.397 10 30 DCEERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000732703931 664954174 /nfs/dbraw/zinc/95/41/74/664954174.db2.gz NWAILFRWZMOYEP-ZFWWWQNUSA-N 1 0 305.426 0.710 10 30 DCEERO [NH2+]=C(NCCS(=O)(=O)NCC1CCC1)NC1CCCCC1 ZINC000304763865 685212166 /nfs/dbraw/zinc/21/21/66/685212166.db2.gz XHVNGMKXWJSFSQ-UHFFFAOYSA-N 1 0 316.471 0.943 10 30 DCEERO C#CCNC(=O)c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)nc1 ZINC000174683945 198370638 /nfs/dbraw/zinc/37/06/38/198370638.db2.gz SLXHDCAIDYQLOG-OAHLLOKOSA-N 1 0 316.405 0.703 10 30 DCEERO [NH2+]=C(NCc1cccc(-n2cncn2)c1)NC[C@@H]1CCCO1 ZINC000262325066 238172215 /nfs/dbraw/zinc/17/22/15/238172215.db2.gz WSDMZWFQUVTKRE-AWEZNQCLSA-N 1 0 300.366 0.851 10 30 DCEERO N#C[C@@H]1CCC[C@@H]1NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262447140 238174164 /nfs/dbraw/zinc/17/41/64/238174164.db2.gz VKPGHPDFZAAMQN-DYEKYZERSA-N 1 0 324.450 0.811 10 30 DCEERO COc1cc(C[N@@H+]2CC[C@@](O)(Cn3ccnn3)C2)ccc1C#N ZINC000585793410 396656865 /nfs/dbraw/zinc/65/68/65/396656865.db2.gz WONAOSWBVNCVQE-INIZCTEOSA-N 1 0 313.361 0.795 10 30 DCEERO C=CC[C@@]1(C(=O)NCC2(C(=O)OC)CCOCC2)CCC[NH2+]1 ZINC000595954896 396694716 /nfs/dbraw/zinc/69/47/16/396694716.db2.gz WSJADQRBVVIFGM-INIZCTEOSA-N 1 0 310.394 0.771 10 30 DCEERO Cc1ccc(N(C)C[C@H](O)CN2CC[NH+](C)CC2)nc1C#N ZINC000302652044 396722243 /nfs/dbraw/zinc/72/22/43/396722243.db2.gz NGCUNLSTYQYTLD-AWEZNQCLSA-N 1 0 303.410 0.306 10 30 DCEERO C[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)n1cnc(C#N)n1 ZINC000619613897 397159799 /nfs/dbraw/zinc/15/97/99/397159799.db2.gz UNZMARXAUSTTDK-GWCFXTLKSA-N 1 0 308.411 0.264 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H](C(C)C)C1(CO)CC=CC1 ZINC000592179473 397114702 /nfs/dbraw/zinc/11/47/02/397114702.db2.gz ZLEOZDROEDPSAB-CQSZACIVSA-N 1 0 309.410 0.941 10 30 DCEERO C=C(C)C[C@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)C(=O)OC ZINC000602601222 397446849 /nfs/dbraw/zinc/44/68/49/397446849.db2.gz QYXULQRZNGFDBZ-LBPRGKRZSA-N 1 0 321.381 0.440 10 30 DCEERO C#CCOCCC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000089962978 415524596 /nfs/dbraw/zinc/52/45/96/415524596.db2.gz OQOTVVRRGHFEEE-DLBZAZTESA-N 1 0 316.401 0.778 10 30 DCEERO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803545 415628695 /nfs/dbraw/zinc/62/86/95/415628695.db2.gz CHRMPESWBLDJHF-ZIAGYGMSSA-N 1 0 301.394 0.515 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000106271570 415640854 /nfs/dbraw/zinc/64/08/54/415640854.db2.gz ITLOGYBYMCGCCK-OAHLLOKOSA-N 1 0 310.442 0.657 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C3CC3)CC2)CC1 ZINC000343725183 415699101 /nfs/dbraw/zinc/69/91/01/415699101.db2.gz FXUUXBMZFLXTPN-UHFFFAOYSA-N 1 0 320.437 0.060 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000354417620 415798157 /nfs/dbraw/zinc/79/81/57/415798157.db2.gz BKTVQRTWBCFJER-KBPBESRZSA-N 1 0 314.451 0.942 10 30 DCEERO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170844075 416035071 /nfs/dbraw/zinc/03/50/71/416035071.db2.gz PWPIHMCQFVDEPH-ZDUSSCGKSA-N 1 0 300.362 0.968 10 30 DCEERO Cc1ncc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1C#N ZINC000314534282 416111760 /nfs/dbraw/zinc/11/17/60/416111760.db2.gz PVTMATJUKFNMOY-UHFFFAOYSA-N 1 0 308.407 0.976 10 30 DCEERO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000328789244 416132632 /nfs/dbraw/zinc/13/26/32/416132632.db2.gz PWMCDTGOLFFSAT-LSDHHAIUSA-N 1 0 309.410 0.799 10 30 DCEERO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000423640187 416532322 /nfs/dbraw/zinc/53/23/22/416532322.db2.gz JUGPIEQVIUTGKW-FZMZJTMJSA-N 1 0 323.418 0.713 10 30 DCEERO N#Cc1ccc(NC(=O)CC[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000368819077 416695092 /nfs/dbraw/zinc/69/50/92/416695092.db2.gz RQKGIWMKBOIGLJ-INIZCTEOSA-N 1 0 314.389 0.903 10 30 DCEERO C=CCCCN(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631991403 416852802 /nfs/dbraw/zinc/85/28/02/416852802.db2.gz RJRPOJPKPIHPMZ-UHFFFAOYSA-N 1 0 303.472 0.852 10 30 DCEERO CC(C)[C@@H](CNC(=O)c1ccc(C#N)n1C)[NH+]1CCN(C)CC1 ZINC000448971978 417110916 /nfs/dbraw/zinc/11/09/16/417110916.db2.gz QOBHCIPQLHZBFN-MRXNPFEDSA-N 1 0 317.437 0.899 10 30 DCEERO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C(=O)OCC)C3(COC3)C2)C1=O ZINC000451141283 417305527 /nfs/dbraw/zinc/30/55/27/417305527.db2.gz VDDZUELOJYZFGG-QWHCGFSZSA-N 1 0 308.378 0.285 10 30 DCEERO CN(C)C(=O)CNC(N[C@@H]1CCC[C@H]1C#N)=[NH+]C[C@@H]1CCOC1 ZINC000262322918 276741926 /nfs/dbraw/zinc/74/19/26/276741926.db2.gz SKPYTHHLUHIMQF-MELADBBJSA-N 1 0 321.425 0.339 10 30 DCEERO Cn1ncnc1[C@H]1COCCN1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000328893931 289323681 /nfs/dbraw/zinc/32/36/81/289323681.db2.gz URVZFTAENZSECR-YNEHKIRRSA-N 1 0 322.413 0.585 10 30 DCEERO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000374537554 298276723 /nfs/dbraw/zinc/27/67/23/298276723.db2.gz MSGIGRSZBMLNHT-JHJVBQTASA-N 1 0 300.428 0.491 10 30 DCEERO C[NH+]1CCN(c2ccc(NC(=O)C3(O)CCOCC3)cn2)CC1 ZINC000330005612 336105281 /nfs/dbraw/zinc/10/52/81/336105281.db2.gz CDAHHJNLDUSFNJ-UHFFFAOYSA-N 1 0 320.393 0.963 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000425869063 338018048 /nfs/dbraw/zinc/01/80/48/338018048.db2.gz UOLYKSSRFKWWRV-WFASDCNBSA-N 1 0 321.421 0.437 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+]C1(CC(=O)OCC)CCCC1 ZINC000434622847 338221563 /nfs/dbraw/zinc/22/15/63/338221563.db2.gz IJGPQXOIRKJCID-UHFFFAOYSA-N 1 0 311.382 0.854 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCc2ncccc2S(C)(=O)=O)CCO1 ZINC000262477828 534271729 /nfs/dbraw/zinc/27/17/29/534271729.db2.gz QNPPOSOFYLGMEY-SNVBAGLBSA-N 1 0 312.395 0.021 10 30 DCEERO CNC(=O)CCNC(=[NH+]C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000262029434 526353521 /nfs/dbraw/zinc/35/35/21/526353521.db2.gz XAUDZVPFNWVFIZ-UHFFFAOYSA-N 1 0 311.430 0.029 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000262789198 526370129 /nfs/dbraw/zinc/37/01/29/526370129.db2.gz NJYAIWURVQHKGC-XQLPTFJDSA-N 1 0 324.469 0.959 10 30 DCEERO C[NH+]=C(NCc1c(C)noc1C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261686079 526379744 /nfs/dbraw/zinc/37/97/44/526379744.db2.gz DOWXLKSPVMPXDY-MRXNPFEDSA-N 1 0 319.409 0.969 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000262400325 526394399 /nfs/dbraw/zinc/39/43/99/526394399.db2.gz NOBOVUIORRXCFA-AYRXBEOTSA-N 1 0 322.453 0.976 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cscn2)CC1 ZINC000357867398 526418827 /nfs/dbraw/zinc/41/88/27/526418827.db2.gz JUBGKODFNOTZTP-UHFFFAOYSA-N 1 0 308.407 0.526 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC000357626503 526427580 /nfs/dbraw/zinc/42/75/80/526427580.db2.gz YGZLPRRIOZXTJM-CYBMUJFWSA-N 1 0 308.426 0.899 10 30 DCEERO C=C(Br)CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261978295 526429221 /nfs/dbraw/zinc/42/92/21/526429221.db2.gz RJBZNBOTUCDPAC-MNOVXSKESA-N 1 0 313.199 0.748 10 30 DCEERO C=CCOCCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000378558176 526776721 /nfs/dbraw/zinc/77/67/21/526776721.db2.gz GHHMSKPKGOOEJI-HNNXBMFYSA-N 1 0 310.442 0.610 10 30 DCEERO C#CCNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCCC1 ZINC000262361818 526913929 /nfs/dbraw/zinc/91/39/29/526913929.db2.gz GYMSSLQMLVKJLK-ZDUSSCGKSA-N 1 0 311.451 0.922 10 30 DCEERO CCN(CCC#N)C(=O)CN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000171749659 528356774 /nfs/dbraw/zinc/35/67/74/528356774.db2.gz NOZSTSDNNOXVPG-OAHLLOKOSA-N 1 0 322.453 0.934 10 30 DCEERO CC[NH+]=C(NCCN(C)C1CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261795123 528805001 /nfs/dbraw/zinc/80/50/01/528805001.db2.gz QVOLXNLPATVOPA-KRWDZBQOSA-N 1 0 321.469 0.648 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)NC1CCOCC1 ZINC000262772066 528812073 /nfs/dbraw/zinc/81/20/73/528812073.db2.gz IYGVLCXNCHRREC-ZDUSSCGKSA-N 1 0 320.441 0.883 10 30 DCEERO CC[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CC[N@@H+]1CCOC ZINC000247230034 529285895 /nfs/dbraw/zinc/28/58/95/529285895.db2.gz RGPOLJDHIOQPIQ-DOTOQJQBSA-N 1 0 322.453 0.837 10 30 DCEERO CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329377303 546048020 /nfs/dbraw/zinc/04/80/20/546048020.db2.gz ONCBTLBTJKQTDZ-UONOGXRCSA-N 1 0 310.442 0.836 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NCC1(C(=O)N(C)C)CCCC1 ZINC000262760167 662570260 /nfs/dbraw/zinc/57/02/60/662570260.db2.gz CVJKJJWNJWVDBK-KBPBESRZSA-N 1 0 324.469 0.961 10 30 DCEERO N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1C1CC1 ZINC000732699391 664953033 /nfs/dbraw/zinc/95/30/33/664953033.db2.gz ASHVPTGMMVBMSA-FVQBIDKESA-N 1 0 317.437 0.995 10 30 DCEERO N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCN1C1CC1 ZINC000736666965 667218072 /nfs/dbraw/zinc/21/80/72/667218072.db2.gz YDMFKWUXRUVKPS-GOEBONIOSA-N 1 0 317.437 0.852 10 30 DCEERO N#Cc1cc(S(N)(=O)=O)ccc1N1CC[NH+](C2CCC2)CC1 ZINC000742405241 667791355 /nfs/dbraw/zinc/79/13/55/667791355.db2.gz DLLFXSLFSOSHCT-UHFFFAOYSA-N 1 0 320.418 0.880 10 30 DCEERO COC(=O)c1ccccc1NC(=O)C[N+]12CCN(CC1)CC2 ZINC000007613250 717106117 /nfs/dbraw/zinc/10/61/17/717106117.db2.gz RWXZMDSGUJKXFH-UHFFFAOYSA-O 1 0 304.370 0.558 10 30 DCEERO C[C@H](C(=O)NC(=O)NCc1cccs1)[N+]12CCN(CC1)CC2 ZINC000024934774 717113531 /nfs/dbraw/zinc/11/35/31/717113531.db2.gz FYWOMUCRAQTOCG-GFCCVEGCSA-O 1 0 323.442 0.608 10 30 DCEERO CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262326499 529694961 /nfs/dbraw/zinc/69/49/61/529694961.db2.gz XDXIAXOHFCVVFH-RYUDHWBXSA-N 1 0 319.475 0.350 10 30 DCEERO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000153055301 237015505 /nfs/dbraw/zinc/01/55/05/237015505.db2.gz BXFAREBSYZSGOP-LRDDRELGSA-N 1 0 305.378 0.754 10 30 DCEERO CN(C)C(=O)CNC(N[C@H]1CCC(=O)N(C)C1)=[NH+]C1CCCC1 ZINC000262241614 238170682 /nfs/dbraw/zinc/17/06/82/238170682.db2.gz ADMPXWSCNBSHQV-ZDUSSCGKSA-N 1 0 323.441 0.173 10 30 DCEERO CCn1cnnc1CNC(=[NH+]C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262425724 238173678 /nfs/dbraw/zinc/17/36/78/238173678.db2.gz CMLSBMLGJQGYLC-GFCCVEGCSA-N 1 0 316.413 0.596 10 30 DCEERO COCC[N@H+](C)CCCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369221086 239166173 /nfs/dbraw/zinc/16/61/73/239166173.db2.gz VWCQBVWAGGAKOQ-HNNXBMFYSA-N 1 0 323.441 0.336 10 30 DCEERO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093821073 193313835 /nfs/dbraw/zinc/31/38/35/193313835.db2.gz HVFQPNKTIBVAGA-HNNXBMFYSA-N 1 0 302.378 0.890 10 30 DCEERO COc1cc2c(cc1OC)CN(CCNC1=[NH+]CCN1C)CC2 ZINC000262676534 533170876 /nfs/dbraw/zinc/17/08/76/533170876.db2.gz UCESPXUEYPBBHO-UHFFFAOYSA-N 1 0 318.421 0.953 10 30 DCEERO CS(=O)(=O)N1CCCC[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000262080127 533382679 /nfs/dbraw/zinc/38/26/79/533382679.db2.gz DZBZIZDYWMGHHV-GFCCVEGCSA-N 1 0 302.444 0.647 10 30 DCEERO Cc1oc(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)c(C#N)c1C ZINC000155304316 396049605 /nfs/dbraw/zinc/04/96/05/396049605.db2.gz KWMABHAGSCAXCX-CYBMUJFWSA-N 1 0 320.393 0.969 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CC1 ZINC000078959195 396258389 /nfs/dbraw/zinc/25/83/89/396258389.db2.gz SQFQSGLDOQUAHD-BPLDGKMQSA-N 1 0 320.437 0.945 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CC1 ZINC000078959191 396258644 /nfs/dbraw/zinc/25/86/44/396258644.db2.gz SQFQSGLDOQUAHD-CFVMTHIKSA-N 1 0 320.437 0.945 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](COC)C1CCOCC1 ZINC000594713095 396499530 /nfs/dbraw/zinc/49/95/30/396499530.db2.gz YHULWURLIRPHPL-WCQYABFASA-N 1 0 313.398 0.418 10 30 DCEERO Cc1nsc(N2CC[NH+](CC3(O)CCOCC3)CC2)c1C#N ZINC000289452913 396460270 /nfs/dbraw/zinc/46/02/70/396460270.db2.gz LENQFSAUQCBXDG-UHFFFAOYSA-N 1 0 322.434 0.987 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595904308 396680156 /nfs/dbraw/zinc/68/01/56/396680156.db2.gz CUKOADDIJVSTLW-IYBDPMFKSA-N 1 0 307.394 0.891 10 30 DCEERO C=CC[C@@]1(C(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)CCC[NH2+]1 ZINC000595956542 396695610 /nfs/dbraw/zinc/69/56/10/396695610.db2.gz RFSYZXCXUIQUGI-YOEHRIQHSA-N 1 0 323.437 0.781 10 30 DCEERO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccnc1C#N ZINC000596053075 396712737 /nfs/dbraw/zinc/71/27/37/396712737.db2.gz WJBDIDICVWJUBS-VIFPVBQESA-N 1 0 308.285 0.463 10 30 DCEERO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1cccnc1C#N ZINC000596053074 396712760 /nfs/dbraw/zinc/71/27/60/396712760.db2.gz WJBDIDICVWJUBS-SECBINFHSA-N 1 0 308.285 0.463 10 30 DCEERO C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000625579969 396932743 /nfs/dbraw/zinc/93/27/43/396932743.db2.gz YIYXVRFVJUDKPV-HNNXBMFYSA-N 1 0 323.437 0.781 10 30 DCEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000611886017 396944204 /nfs/dbraw/zinc/94/42/04/396944204.db2.gz QGPOAHIDSGJQEL-ZNMIVQPWSA-N 1 0 323.437 0.636 10 30 DCEERO N#Cc1ccc(CCNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000600862295 396958192 /nfs/dbraw/zinc/95/81/92/396958192.db2.gz AGAOXWWJJBKNCW-AWEZNQCLSA-N 1 0 309.391 0.009 10 30 DCEERO C=CC[C@H]1CCN(CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000625702181 396982979 /nfs/dbraw/zinc/98/29/79/396982979.db2.gz ULYYNKGYFIUIKE-UONOGXRCSA-N 1 0 314.451 0.920 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000612045151 396988902 /nfs/dbraw/zinc/98/89/02/396988902.db2.gz QKGXWHVXXUYAEU-GJZGRUSLSA-N 1 0 323.437 0.828 10 30 DCEERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000619596112 397155296 /nfs/dbraw/zinc/15/52/96/397155296.db2.gz GKWDBJOAORMWPN-XQQFMLRXSA-N 1 0 302.382 0.796 10 30 DCEERO C=C(C)C[C@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C(=O)OC ZINC000602599321 397446587 /nfs/dbraw/zinc/44/65/87/397446587.db2.gz HUYZCLSJAZXODV-RYUDHWBXSA-N 1 0 321.381 0.440 10 30 DCEERO C=CCN1CC[C@H](N(C)S(=O)(=O)CC[NH+](CC)CC)C1=O ZINC000352869317 415350045 /nfs/dbraw/zinc/35/00/45/415350045.db2.gz HHOZQHBNTYVUGT-ZDUSSCGKSA-N 1 0 317.455 0.377 10 30 DCEERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000104076321 415620743 /nfs/dbraw/zinc/62/07/43/415620743.db2.gz AFNQXUAJMSLGTN-STQMWFEESA-N 1 0 305.382 0.228 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000105835796 415636030 /nfs/dbraw/zinc/63/60/30/415636030.db2.gz SKLUTQWRBRAPOP-ZDUSSCGKSA-N 1 0 312.414 0.041 10 30 DCEERO C=CCNC(=O)[C@@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000105868445 415636520 /nfs/dbraw/zinc/63/65/20/415636520.db2.gz YORSSMYEOKCOEY-CYBMUJFWSA-N 1 0 319.409 0.688 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCCO2)CC1 ZINC000286867030 415640577 /nfs/dbraw/zinc/64/05/77/415640577.db2.gz ZZZFCSRQTKZVQY-CQSZACIVSA-N 1 0 309.410 0.390 10 30 DCEERO C#CCC(CC#C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000287476338 415670930 /nfs/dbraw/zinc/67/09/30/415670930.db2.gz RQVFDKHABFYHPZ-MRXNPFEDSA-N 1 0 317.433 0.708 10 30 DCEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(CCC#N)CCC#N ZINC000113271404 415717141 /nfs/dbraw/zinc/71/71/41/415717141.db2.gz SAFFRMNSACCENQ-HUUCEWRRSA-N 1 0 303.410 0.811 10 30 DCEERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000118857851 415735509 /nfs/dbraw/zinc/73/55/09/415735509.db2.gz LPPQLQQSFHWGIQ-OAHLLOKOSA-N 1 0 321.425 0.031 10 30 DCEERO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CN2CCOCC2)C1=O ZINC000337171203 415921976 /nfs/dbraw/zinc/92/19/76/415921976.db2.gz FRMONMCUJHHGIR-HOTGVXAUSA-N 1 0 307.438 0.960 10 30 DCEERO C#Cc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000296492675 415930680 /nfs/dbraw/zinc/93/06/80/415930680.db2.gz BFRYIOBFOCQAGW-INIZCTEOSA-N 1 0 300.406 0.713 10 30 DCEERO Cn1cc(C#N)cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000177535775 416148327 /nfs/dbraw/zinc/14/83/27/416148327.db2.gz FNQSUHCONBDVEJ-UHFFFAOYSA-N 1 0 302.378 0.834 10 30 DCEERO C[C@@H]1C[C@@H](N(C)C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC[N@@H+]1C ZINC000329404035 416168007 /nfs/dbraw/zinc/16/80/07/416168007.db2.gz YWLRLUKSRIEWFT-ZOBORPQBSA-N 1 0 322.413 0.547 10 30 DCEERO C[NH+]1CCC(C)(CNC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329494049 416173100 /nfs/dbraw/zinc/17/31/00/416173100.db2.gz IGPLHEMTISMQMF-QWHCGFSZSA-N 1 0 322.413 0.454 10 30 DCEERO C=CCN(CC=C)C(=O)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000341541146 416211415 /nfs/dbraw/zinc/21/14/15/416211415.db2.gz CVQWDJQUSMHFLL-CQSZACIVSA-N 1 0 309.410 0.414 10 30 DCEERO C=CCN(CC=C)C(=O)CN1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247392375 416332931 /nfs/dbraw/zinc/33/29/31/416332931.db2.gz XGJVQLXDHUJJTO-HOTGVXAUSA-N 1 0 309.454 0.964 10 30 DCEERO C=CCCOCCNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418981063 416395215 /nfs/dbraw/zinc/39/52/15/416395215.db2.gz BDLIXQNHNWTWDT-UHFFFAOYSA-N 1 0 311.426 0.863 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(CC)on2)CC1 ZINC000608533233 416650414 /nfs/dbraw/zinc/65/04/14/416650414.db2.gz WTFIRXNSPQLLKB-UHFFFAOYSA-N 1 0 306.366 0.942 10 30 DCEERO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368819737 416694596 /nfs/dbraw/zinc/69/45/96/416694596.db2.gz XKQIHBNLAHCIFU-HNNXBMFYSA-N 1 0 314.389 0.903 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000519768969 416938043 /nfs/dbraw/zinc/93/80/43/416938043.db2.gz MRHRLTILMSDRQM-KBPBESRZSA-N 1 0 311.426 0.676 10 30 DCEERO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627490204 417440480 /nfs/dbraw/zinc/44/04/80/417440480.db2.gz WZXBDIPBSXWIFP-KBPBESRZSA-N 1 0 311.426 0.719 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628121859 417575541 /nfs/dbraw/zinc/57/55/41/417575541.db2.gz ZEYASAUIGYLYQU-INIZCTEOSA-N 1 0 323.437 0.781 10 30 DCEERO C=CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000635402209 417652293 /nfs/dbraw/zinc/65/22/93/417652293.db2.gz OARYCSKHVKITGR-STQMWFEESA-N 1 0 300.424 0.530 10 30 DCEERO [NH2+]=C(NCc1cccc(N2CCCS2(=O)=O)c1)NC1CC1 ZINC000184845624 335093589 /nfs/dbraw/zinc/09/35/89/335093589.db2.gz QZGLZAVZWHVJCM-UHFFFAOYSA-N 1 0 308.407 0.793 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)N1CCC([NH2+]CCOC)CC1 ZINC000569700444 332663843 /nfs/dbraw/zinc/66/38/43/332663843.db2.gz RIUYHWHUVYMYEZ-LBPRGKRZSA-N 1 0 312.414 0.087 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000425868592 338017963 /nfs/dbraw/zinc/01/79/63/338017963.db2.gz IXGZFDSPDOMTHN-IHRRRGAJSA-N 1 0 311.426 0.540 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000425881792 338018178 /nfs/dbraw/zinc/01/81/78/338018178.db2.gz CZKTXBZYQSPHGA-COMQUAJESA-N 1 0 321.421 0.435 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCCn2cc(Br)cn2)CCO1 ZINC000262690085 534270956 /nfs/dbraw/zinc/27/09/56/534270956.db2.gz ZYQVHGRVIYWCKB-SECBINFHSA-N 1 0 316.203 0.681 10 30 DCEERO Cc1noc([C@@H]2CC[C@H](CNC(=[NH2+])N3CCO[C@@H](C)C3)O2)n1 ZINC000262434033 534462870 /nfs/dbraw/zinc/46/28/70/534462870.db2.gz FTYPEZZTTCBIAL-WCQGTBRESA-N 1 0 309.370 0.634 10 30 DCEERO C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000261761549 526345234 /nfs/dbraw/zinc/34/52/34/526345234.db2.gz OJHBSQLWJKAYSB-LLVKDONJSA-N 1 0 312.414 0.314 10 30 DCEERO C[NH+]=C(NCC(=O)OC(C)(C)C)N1CCN(C2CC2)C(=O)C1 ZINC000262765960 526348242 /nfs/dbraw/zinc/34/82/42/526348242.db2.gz GCHDDOOBJIFLIM-UHFFFAOYSA-N 1 0 310.398 0.210 10 30 DCEERO CNC(=O)CC1CCN(C(NC[C@@H]2CCC[C@@H]2O)=[NH+]C)CC1 ZINC000261806408 526370594 /nfs/dbraw/zinc/37/05/94/526370594.db2.gz SAMZWVXFZAXEKC-KBPBESRZSA-N 1 0 310.442 0.571 10 30 DCEERO C[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262021370 526372650 /nfs/dbraw/zinc/37/26/50/526372650.db2.gz YVSIMBTUIMJILX-ZIAGYGMSSA-N 1 0 320.393 0.526 10 30 DCEERO C[NH+]=C(NC[C@@H]1COCCO1)NC[C@@](C)(O)c1ccc(C)o1 ZINC000262357862 526373665 /nfs/dbraw/zinc/37/36/65/526373665.db2.gz IGPOWGNJFHGLPV-IUODEOHRSA-N 1 0 311.382 0.376 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2CCC)CC1 ZINC000178866013 526420658 /nfs/dbraw/zinc/42/06/58/526420658.db2.gz RTSSKKFIZHINFZ-UHFFFAOYSA-N 1 0 319.409 0.998 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)NC[C@@]2(CCO)CCOC2)CC1 ZINC000177622606 526433793 /nfs/dbraw/zinc/43/37/93/526433793.db2.gz YDZUZTXUTXKQGS-MRXNPFEDSA-N 1 0 311.426 0.725 10 30 DCEERO C=C(C)CNC(NCC(=O)N(C)C)=[NH+][C@@H]1CCC2(C1)OCCO2 ZINC000262342291 526437181 /nfs/dbraw/zinc/43/71/81/526437181.db2.gz XGZHMVAVNBNNQC-CYBMUJFWSA-N 1 0 324.425 0.482 10 30 DCEERO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245420921 527018530 /nfs/dbraw/zinc/01/85/30/527018530.db2.gz HRQJXRZJMACGSS-HZPDHXFCSA-N 1 0 306.454 0.226 10 30 DCEERO CCN(CC)S(=O)(=O)CCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000262549117 528206836 /nfs/dbraw/zinc/20/68/36/528206836.db2.gz XAVQOZPXBHWQDL-GFCCVEGCSA-N 1 0 304.460 0.705 10 30 DCEERO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119708176 661300733 /nfs/dbraw/zinc/30/07/33/661300733.db2.gz GLTKFZZMPWTXTH-NEPJUHHUSA-N 1 0 308.403 0.879 10 30 DCEERO [NH2+]=C(NCC(=O)N1CCc2ccccc21)NC[C@@H]1CCCO1 ZINC000076105744 670098219 /nfs/dbraw/zinc/09/82/19/670098219.db2.gz BGLSRESTPWLCNO-ZDUSSCGKSA-N 1 0 302.378 0.659 10 30 DCEERO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC000329572865 1158124552 /nfs/dbraw/zinc/12/45/52/1158124552.db2.gz NDIWFWHBGCXKEH-SGMGOOAPSA-N 1 0 308.426 0.984 10 30 DCEERO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N+]12CCN(CC1)CC2 ZINC000015454199 717111552 /nfs/dbraw/zinc/11/15/52/717111552.db2.gz GCCCVRKKTWLLTR-AWEZNQCLSA-O 1 0 317.413 0.547 10 30 DCEERO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N+]12CCN(CC1)CC2 ZINC000022308191 717113457 /nfs/dbraw/zinc/11/34/57/717113457.db2.gz HCNVSIJUQGPFQN-CYBMUJFWSA-O 1 0 309.434 0.679 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000174082038 198289253 /nfs/dbraw/zinc/28/92/53/198289253.db2.gz VYPIJMOONMBFJD-HOTGVXAUSA-N 1 0 309.454 0.964 10 30 DCEERO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)[C@H]2C1 ZINC000329286613 283061434 /nfs/dbraw/zinc/06/14/34/283061434.db2.gz OUQPPLORPIPNMC-BZPMIXESSA-N 1 0 306.410 0.690 10 30 DCEERO CCS(=O)(=O)N1CC(CNC(=[NH2+])NC2CCCCCC2)C1 ZINC000190088923 237420996 /nfs/dbraw/zinc/42/09/96/237420996.db2.gz BMUCKWQKZPKJKP-UHFFFAOYSA-N 1 0 316.471 0.895 10 30 DCEERO C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CCn3ncc(C(N)=O)c3C2)C1 ZINC000261896774 238168539 /nfs/dbraw/zinc/16/85/39/238168539.db2.gz DBLVBIMEQVLWCE-NWDGAFQWSA-N 1 0 318.425 0.591 10 30 DCEERO CS(=O)(=O)c1ccc(CNC(=[NH2+])NC[C@@H]2CCCO2)s1 ZINC000262397679 238173569 /nfs/dbraw/zinc/17/35/69/238173569.db2.gz NEGNMZMSQVRZGC-VIFPVBQESA-N 1 0 317.436 0.735 10 30 DCEERO [NH2+]=C(NCc1ccc(-n2cncn2)cc1)NC[C@@H]1CCCO1 ZINC000261714566 238165294 /nfs/dbraw/zinc/16/52/94/238165294.db2.gz FAISPSOORJOGDX-AWEZNQCLSA-N 1 0 300.366 0.851 10 30 DCEERO COCCNC(=O)c1oc2c(c1C)C(=NNC(N)=[NH2+])CCC2 ZINC000040824724 183137318 /nfs/dbraw/zinc/13/73/18/183137318.db2.gz DFFWCYVHFGQOAB-GIJQJNRQSA-N 1 0 307.354 0.488 10 30 DCEERO COc1cc(C#N)ccc1OCCN1CC[N@H+](CCO)[C@H](C)C1 ZINC000187650456 533503093 /nfs/dbraw/zinc/50/30/93/533503093.db2.gz XIOAHXCYWNAZDQ-CQSZACIVSA-N 1 0 319.405 0.944 10 30 DCEERO N#Cc1cnc(Nc2cc(N3CCO[C@@H](C[NH3+])C3)ncn2)cn1 ZINC000098178661 395762219 /nfs/dbraw/zinc/76/22/19/395762219.db2.gz SSFCEYILWPVDRN-NSHDSACASA-N 1 0 312.337 0.046 10 30 DCEERO Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116900460 395849395 /nfs/dbraw/zinc/84/93/95/395849395.db2.gz WLDDIBRTWZKTAZ-AWEZNQCLSA-N 1 0 323.418 0.818 10 30 DCEERO C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000273377581 395916590 /nfs/dbraw/zinc/91/65/90/395916590.db2.gz DCOCENMHVYMYIA-OAHLLOKOSA-N 1 0 319.405 0.782 10 30 DCEERO COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000261724248 396060296 /nfs/dbraw/zinc/06/02/96/396060296.db2.gz ROKGZYFTOVFWRZ-PWSUYJOCSA-N 1 0 309.391 0.843 10 30 DCEERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000175977377 396148042 /nfs/dbraw/zinc/14/80/42/396148042.db2.gz USNRZQXOGKZSCM-LBPRGKRZSA-N 1 0 304.325 0.798 10 30 DCEERO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccnc(C#N)c2)CC1 ZINC000193250354 396447039 /nfs/dbraw/zinc/44/70/39/396447039.db2.gz WRBAJPJLXZEQAZ-CYBMUJFWSA-N 1 0 301.394 0.709 10 30 DCEERO C=CCSCCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000591925051 397040802 /nfs/dbraw/zinc/04/08/02/397040802.db2.gz PXAXVKJHCCYCLF-LBPRGKRZSA-N 1 0 314.455 0.667 10 30 DCEERO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)n1cnc(C#N)n1 ZINC000619613569 397159859 /nfs/dbraw/zinc/15/98/59/397159859.db2.gz RPKGJLBSGRFTGP-QWHCGFSZSA-N 1 0 302.382 0.655 10 30 DCEERO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000609550570 397780933 /nfs/dbraw/zinc/78/09/33/397780933.db2.gz JATCKKHRHRRUJC-AWEZNQCLSA-N 1 0 319.384 0.742 10 30 DCEERO C=CCSCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000286523789 415632845 /nfs/dbraw/zinc/63/28/45/415632845.db2.gz PKWKVKYCHJJXAD-STQMWFEESA-N 1 0 313.467 0.963 10 30 DCEERO CN(CCC#N)S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891381 415651730 /nfs/dbraw/zinc/65/17/30/415651730.db2.gz WTVXKFCINWUKDU-LBPRGKRZSA-N 1 0 300.428 0.683 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000284644472 415596325 /nfs/dbraw/zinc/59/63/25/415596325.db2.gz MBHYMCIMCGETGZ-UHFFFAOYSA-N 1 0 311.426 0.640 10 30 DCEERO C[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)N1CCOCC1 ZINC000110626037 415686908 /nfs/dbraw/zinc/68/69/08/415686908.db2.gz SGDQOXJFIBNVCX-AWEZNQCLSA-N 1 0 317.389 0.968 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C)CC1 ZINC000343760740 415714230 /nfs/dbraw/zinc/71/42/30/415714230.db2.gz FIFHEZGIVOXHIS-MELADBBJSA-N 1 0 323.437 0.777 10 30 DCEERO C=CCN(CC=C)C(=O)CN1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000293235623 415854154 /nfs/dbraw/zinc/85/41/54/415854154.db2.gz KZZFELURIYJDAT-JKSUJKDBSA-N 1 0 307.438 0.982 10 30 DCEERO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000131612889 415930518 /nfs/dbraw/zinc/93/05/18/415930518.db2.gz GKYYSIIHYWCEJM-CQSZACIVSA-N 1 0 304.398 0.752 10 30 DCEERO CC(C)[N@@H+]1CCCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329374764 416166873 /nfs/dbraw/zinc/16/68/73/416166873.db2.gz KMIZCWQIZJNMSF-UONOGXRCSA-N 1 0 322.413 0.548 10 30 DCEERO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329394448 416167158 /nfs/dbraw/zinc/16/71/58/416167158.db2.gz VGFYPTUYUNTVQX-FRRDWIJNSA-N 1 0 308.386 0.016 10 30 DCEERO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCS1(=O)=O ZINC000329404502 416168327 /nfs/dbraw/zinc/16/83/27/416168327.db2.gz CJWVBYGMKPQAPP-UPJWGTAASA-N 1 0 315.439 0.646 10 30 DCEERO C=CC[C@H](CO)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000349741882 416258657 /nfs/dbraw/zinc/25/86/57/416258657.db2.gz DUNAASDQXYCQQY-CYBMUJFWSA-N 1 0 320.393 0.906 10 30 DCEERO C[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CC[N@@H+]1CCO ZINC000187707061 416262153 /nfs/dbraw/zinc/26/21/53/416262153.db2.gz ABUNEDKVRCSULU-GFCCVEGCSA-N 1 0 322.434 0.947 10 30 DCEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CC(=O)NCC#N)C1 ZINC000195289698 416325850 /nfs/dbraw/zinc/32/58/50/416325850.db2.gz XVJOACDILVDPFE-OAHLLOKOSA-N 1 0 301.394 0.475 10 30 DCEERO C#CCNC(=O)[C@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509896 416326637 /nfs/dbraw/zinc/32/66/37/416326637.db2.gz NCHYKWDZHPZMNZ-ZDUSSCGKSA-N 1 0 304.394 0.193 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418825216 416390919 /nfs/dbraw/zinc/39/09/19/416390919.db2.gz JKACQAFVDKMVOP-CRWXNKLISA-N 1 0 309.410 0.198 10 30 DCEERO C=CCN(CCOC)C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422468778 416432741 /nfs/dbraw/zinc/43/27/41/416432741.db2.gz BBJGGWUGPFQLKP-UHFFFAOYSA-N 1 0 316.361 0.612 10 30 DCEERO C=CCCS(=O)(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000567124603 417057240 /nfs/dbraw/zinc/05/72/40/417057240.db2.gz MGRXFOFREONDMH-UHFFFAOYSA-N 1 0 317.455 0.473 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000616478561 417059013 /nfs/dbraw/zinc/05/90/13/417059013.db2.gz WEMLKESNROVABD-GXTWGEPZSA-N 1 0 324.425 0.036 10 30 DCEERO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(C#N)n2C)CC1 ZINC000448978746 417113962 /nfs/dbraw/zinc/11/39/62/417113962.db2.gz YJTQPUFMBRRLJT-CQSZACIVSA-N 1 0 317.437 0.900 10 30 DCEERO C=CCn1cc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)nn1 ZINC000627742141 417495730 /nfs/dbraw/zinc/49/57/30/417495730.db2.gz KNPPEKUCHRCCMS-UHFFFAOYSA-N 1 0 319.409 0.791 10 30 DCEERO C=CCC[C@@H](NC(=O)CN1CC[NH+](CC)CC1)C(=O)OCC ZINC000456627840 417659568 /nfs/dbraw/zinc/65/95/68/417659568.db2.gz NHIPUBLTHUXRLR-CQSZACIVSA-N 1 0 311.426 0.638 10 30 DCEERO [NH2+]=C(NCCN1CCc2ccccc2C1=O)NC[C@@H]1CCCO1 ZINC000191727643 274931780 /nfs/dbraw/zinc/93/17/80/274931780.db2.gz VBSWLPABZPWKFW-AWEZNQCLSA-N 1 0 316.405 0.768 10 30 DCEERO C[NH+]=C(NCc1ccc(O)cc1)N1CCN(C2CC2)C(=O)C1 ZINC000262770497 275408484 /nfs/dbraw/zinc/40/84/84/275408484.db2.gz HMOOVFJZIKZSHS-UHFFFAOYSA-N 1 0 302.378 0.774 10 30 DCEERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)[C@@H](C)C1 ZINC000329531054 290087753 /nfs/dbraw/zinc/08/77/53/290087753.db2.gz JCSVWOFPDOZMBX-DDHJSBNISA-N 1 0 311.426 0.855 10 30 DCEERO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105884259 332254915 /nfs/dbraw/zinc/25/49/15/332254915.db2.gz VLBCJMQRJZVMLH-CQSZACIVSA-N 1 0 304.398 0.752 10 30 DCEERO CC[N@@H+]1CCC[C@H](NC(=O)CN(C)Cc2nnc(C)n2C)C1 ZINC000329892480 336092832 /nfs/dbraw/zinc/09/28/32/336092832.db2.gz JBMFSARHOBBFSV-ZDUSSCGKSA-N 1 0 308.430 0.996 10 30 DCEERO C=CCNC(=O)c1ccc(N2CC[N@H+](CCO)[C@H](C)C2)nc1 ZINC000302472245 336359413 /nfs/dbraw/zinc/35/94/13/336359413.db2.gz WEOYLNIRYVZJRR-CYBMUJFWSA-N 1 0 304.394 0.500 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000424546770 337858032 /nfs/dbraw/zinc/85/80/32/337858032.db2.gz NQJGHEAWKPISSV-XUXIUFHCSA-N 1 0 309.410 0.137 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000424553541 337859376 /nfs/dbraw/zinc/85/93/76/337859376.db2.gz ZRJFIFMVIKXVES-STQMWFEESA-N 1 0 307.394 0.048 10 30 DCEERO C=CCC1(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CCOCC1 ZINC000424586153 337877394 /nfs/dbraw/zinc/87/73/94/337877394.db2.gz SJJOLSHWJMBAAE-UHFFFAOYSA-N 1 0 323.437 0.592 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NC[C@H]2CCN(CC(F)(F)F)C2)CCO1 ZINC000262475698 533788862 /nfs/dbraw/zinc/78/88/62/533788862.db2.gz QCBSTRNOEFQPLQ-WDEREUQCSA-N 1 0 308.348 0.906 10 30 DCEERO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000153055592 533963905 /nfs/dbraw/zinc/96/39/05/533963905.db2.gz BXFAREBSYZSGOP-MLGOLLRUSA-N 1 0 305.378 0.754 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCC2(S(C)(=O)=O)CCCC2)CCO1 ZINC000262666265 534271247 /nfs/dbraw/zinc/27/12/47/534271247.db2.gz OXFGLRDLMJTKRW-LLVKDONJSA-N 1 0 303.428 0.379 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000425874957 534587895 /nfs/dbraw/zinc/58/78/95/534587895.db2.gz SGPFUFJRDQICQE-AJNGGQMLSA-N 1 0 321.421 0.437 10 30 DCEERO C[NH+]=C(NCC(=O)NCc1ccco1)N1CC[C@@]2(CCOC2)C1 ZINC000158044892 526348338 /nfs/dbraw/zinc/34/83/38/526348338.db2.gz IBPZQFCKNDWLOM-MRXNPFEDSA-N 1 0 320.393 0.584 10 30 DCEERO C[NH+]=C(NCCn1cccn1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000153281467 526367691 /nfs/dbraw/zinc/36/76/91/526367691.db2.gz GAQZTTNKYMEOKY-CQSZACIVSA-N 1 0 317.397 0.266 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@H]1O)N1CCN(Cc2ccon2)CC1 ZINC000261838634 526369866 /nfs/dbraw/zinc/36/98/66/526369866.db2.gz WJCDKWAKDIFZKR-DZGCQCFKSA-N 1 0 321.425 0.529 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261826401 526370187 /nfs/dbraw/zinc/37/01/87/526370187.db2.gz UXEVLXAYCWOELU-JYJNAYRXSA-N 1 0 324.469 0.377 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1CCC(=O)NC1 ZINC000262764808 526372010 /nfs/dbraw/zinc/37/20/10/526372010.db2.gz FSWURMFDGMPMOG-QWHCGFSZSA-N 1 0 316.405 0.996 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)NC[C@]1(C)CCCO1 ZINC000261699553 526372787 /nfs/dbraw/zinc/37/27/87/526372787.db2.gz FZOISUPOSRDZCH-BBRMVZONSA-N 1 0 320.441 0.883 10 30 DCEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245421591 526623991 /nfs/dbraw/zinc/62/39/91/526623991.db2.gz IARADPIFXHUMRB-HZPDHXFCSA-N 1 0 308.470 0.779 10 30 DCEERO C=CC[C@@H](CO)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000185916329 527086773 /nfs/dbraw/zinc/08/67/73/527086773.db2.gz GFADHKKBOPGRIG-HNNXBMFYSA-N 1 0 318.421 0.647 10 30 DCEERO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCC2(C1)OCCO2 ZINC000262294149 527386628 /nfs/dbraw/zinc/38/66/28/527386628.db2.gz LZVOSNLHTPPVPC-LBPRGKRZSA-N 1 0 312.414 0.314 10 30 DCEERO C=CCCS(=O)(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000370495175 527408664 /nfs/dbraw/zinc/40/86/64/527408664.db2.gz RJHNGHRLOAUYFK-OAHLLOKOSA-N 1 0 315.483 0.994 10 30 DCEERO C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)C(C)C ZINC000135626655 527648878 /nfs/dbraw/zinc/64/88/78/527648878.db2.gz FCPXAHMRCGWWBJ-QWHCGFSZSA-N 1 0 322.409 0.399 10 30 DCEERO Cc1nc(N(C)CC(=O)N2CC[NH2+]CC2)c(Cl)cc1C#N ZINC000261702214 658162231 /nfs/dbraw/zinc/16/22/31/658162231.db2.gz OGQVLXVHSZNKJS-UHFFFAOYSA-N 1 0 307.785 0.783 10 30 DCEERO C#CCN1CCC[C@H]1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000730280664 664675863 /nfs/dbraw/zinc/67/58/63/664675863.db2.gz ZVOMKYUOPFTKTO-HNNXBMFYSA-N 1 0 309.373 0.981 10 30 DCEERO N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCN1C1CC1 ZINC000734286120 666866655 /nfs/dbraw/zinc/86/66/55/666866655.db2.gz ZOSTUYVWSUNUPW-SWLSCSKDSA-N 1 0 303.410 0.605 10 30 DCEERO Cn1cnnc1C[C@]1(O)CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000886089076 667731146 /nfs/dbraw/zinc/73/11/46/667731146.db2.gz VJSWYFLJKRULOW-OAHLLOKOSA-N 1 0 301.350 0.849 10 30 DCEERO CCc1nc(CNC(N[C@@H]2CCC(=O)N(C)C2)=[NH+]C)cs1 ZINC000262804989 529735593 /nfs/dbraw/zinc/73/55/93/529735593.db2.gz SIRRBBITOYEXRI-SNVBAGLBSA-N 1 0 309.439 0.991 10 30 DCEERO [NH2+]=C(NCc1nncn1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000261889529 238168395 /nfs/dbraw/zinc/16/83/95/238168395.db2.gz SROZGCNUIWQLQG-ZDUSSCGKSA-N 1 0 300.366 0.851 10 30 DCEERO [NH2+]=C(NCCNS(=O)(=O)c1ccc(F)cc1F)NC1CC1 ZINC000262788295 238180855 /nfs/dbraw/zinc/18/08/55/238180855.db2.gz NBWJTWNZMPEUSH-UHFFFAOYSA-N 1 0 318.349 0.310 10 30 DCEERO [NH2+]=C(NCCN1C(=O)c2ccccc2C1=O)NC[C@@H]1CCCO1 ZINC000261753144 238166059 /nfs/dbraw/zinc/16/60/59/238166059.db2.gz KHDZRYLGLOZLDP-NSHDSACASA-N 1 0 316.361 0.366 10 30 DCEERO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000261724250 396059952 /nfs/dbraw/zinc/05/99/52/396059952.db2.gz ROKGZYFTOVFWRZ-ZYHUDNBSSA-N 1 0 309.391 0.843 10 30 DCEERO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000261724245 396060241 /nfs/dbraw/zinc/06/02/41/396060241.db2.gz ROKGZYFTOVFWRZ-CMPLNLGQSA-N 1 0 309.391 0.843 10 30 DCEERO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCO1 ZINC000177674773 396180832 /nfs/dbraw/zinc/18/08/32/396180832.db2.gz OFIIEINNWMHNRX-CQSZACIVSA-N 1 0 316.361 0.286 10 30 DCEERO CC[N@@H+]1CC[C@@H](N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000078333032 396242442 /nfs/dbraw/zinc/24/24/42/396242442.db2.gz DCUABCBMJPWLSG-DGCLKSJQSA-N 1 0 319.409 0.122 10 30 DCEERO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)n1cnc(C#N)n1 ZINC000561348600 396639858 /nfs/dbraw/zinc/63/98/58/396639858.db2.gz OQRSRDZVYDUGQW-JHJVBQTASA-N 1 0 302.382 0.796 10 30 DCEERO C=CCNC(=O)NC(=O)CN1C[C@@H]([NH3+])CCc2ccccc21 ZINC000595903972 396680561 /nfs/dbraw/zinc/68/05/61/396680561.db2.gz KFMKMOCLZUADKB-ZDUSSCGKSA-N 1 0 302.378 0.778 10 30 DCEERO N#Cc1cccc(OCC[N@H+]2CC[C@](O)(Cn3ccnn3)C2)c1 ZINC000585803688 396659246 /nfs/dbraw/zinc/65/92/46/396659246.db2.gz WNBODCAXZFUMOF-MRXNPFEDSA-N 1 0 313.361 0.666 10 30 DCEERO C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000329531439 396845814 /nfs/dbraw/zinc/84/58/14/396845814.db2.gz JIOWHNIYXBLUPH-HZSPNIEDSA-N 1 0 308.426 0.937 10 30 DCEERO CNC(=O)C[C@@]1(O)CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000591644336 396958764 /nfs/dbraw/zinc/95/87/64/396958764.db2.gz CQMQAICTVCQVJV-KRWDZBQOSA-N 1 0 317.389 0.900 10 30 DCEERO CS[C@H]1CN(S(=O)(=O)CCC#N)C[C@@H]1[NH+]1CCCC1 ZINC000408461298 397357481 /nfs/dbraw/zinc/35/74/81/397357481.db2.gz UVJGJEGCKYZSLM-RYUDHWBXSA-N 1 0 303.453 0.741 10 30 DCEERO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000374537552 298276662 /nfs/dbraw/zinc/27/66/62/298276662.db2.gz MSGIGRSZBMLNHT-AGIUHOORSA-N 1 0 300.428 0.491 10 30 DCEERO C[C@@H](O)CN1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329244528 287087305 /nfs/dbraw/zinc/08/73/05/287087305.db2.gz PWQRNJQEJANLID-ZIAGYGMSSA-N 1 0 310.442 0.383 10 30 DCEERO C=CCN1CC[C@@H](N(C)S(=O)(=O)CC[NH+](CC)CC)C1=O ZINC000352869316 415352233 /nfs/dbraw/zinc/35/22/33/415352233.db2.gz HHOZQHBNTYVUGT-CYBMUJFWSA-N 1 0 317.455 0.377 10 30 DCEERO C#CCOCCC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000089962979 415526694 /nfs/dbraw/zinc/52/66/94/415526694.db2.gz OQOTVVRRGHFEEE-IAGOWNOFSA-N 1 0 316.401 0.778 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](Cn3cccn3)C2)CC1 ZINC000111086297 415686747 /nfs/dbraw/zinc/68/67/47/415686747.db2.gz BIVGUJWWBGIRFW-MRXNPFEDSA-N 1 0 316.405 0.456 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)CC1 ZINC000343737629 415705760 /nfs/dbraw/zinc/70/57/60/415705760.db2.gz JZFWMBFKHNOCEX-OAHLLOKOSA-N 1 0 321.421 0.390 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2CCOC2)CC1 ZINC000343880884 415766911 /nfs/dbraw/zinc/76/69/11/415766911.db2.gz BWPZHKUNWLRMEU-CQSZACIVSA-N 1 0 323.437 0.686 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](NC(=O)CC)C1 ZINC000334021421 415783958 /nfs/dbraw/zinc/78/39/58/415783958.db2.gz ZFCRWYMAWXGMGE-NEPJUHHUSA-N 1 0 310.398 0.377 10 30 DCEERO C=CCNC(=O)CN1CC[NH+](CCCn2ccnc2C)CC1 ZINC000127275713 415886182 /nfs/dbraw/zinc/88/61/82/415886182.db2.gz DHVYZTVFIVSHAL-UHFFFAOYSA-N 1 0 305.426 0.501 10 30 DCEERO Cn1cc(C(N)=O)cc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000127596377 415888223 /nfs/dbraw/zinc/88/82/23/415888223.db2.gz RDIAZMCTRMAUAQ-UHFFFAOYSA-N 1 0 305.382 0.432 10 30 DCEERO O=C(NCc1nnc2n1CCC2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000329121884 416152151 /nfs/dbraw/zinc/15/21/51/416152151.db2.gz QTVUOBDUVUNGRP-LBPRGKRZSA-N 1 0 304.398 0.808 10 30 DCEERO [O-]C(=[NH+][C@H]1COC[C@H]1n1ccnn1)N1CC[NH+](C2CCC2)CC1 ZINC000329375086 416167261 /nfs/dbraw/zinc/16/72/61/416167261.db2.gz KPWKUCDRNJYFSM-UONOGXRCSA-N 1 0 320.397 0.302 10 30 DCEERO C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000341541142 416211948 /nfs/dbraw/zinc/21/19/48/416211948.db2.gz CVQWDJQUSMHFLL-AWEZNQCLSA-N 1 0 309.410 0.414 10 30 DCEERO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc(-n2cncn2)c1 ZINC000329304335 416162475 /nfs/dbraw/zinc/16/24/75/416162475.db2.gz OIGJODZPERKSBV-HNNXBMFYSA-N 1 0 314.393 0.818 10 30 DCEERO CNC(=O)[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(C)C ZINC000183675493 416248248 /nfs/dbraw/zinc/24/82/48/416248248.db2.gz AUAZQALNHZWJRA-DZGCQCFKSA-N 1 0 305.378 0.658 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000369121593 416724987 /nfs/dbraw/zinc/72/49/87/416724987.db2.gz HOSXIMRXHBKBTG-AGIUHOORSA-N 1 0 300.428 0.349 10 30 DCEERO C=CCNC(=O)CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000623862429 416908069 /nfs/dbraw/zinc/90/80/69/416908069.db2.gz TYCVAETVBCQUOG-CQSZACIVSA-N 1 0 308.426 0.995 10 30 DCEERO C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000371886310 416925693 /nfs/dbraw/zinc/92/56/93/416925693.db2.gz RUYJXPGWYVANSU-IOASZLSFSA-N 1 0 317.437 0.993 10 30 DCEERO C=CC[C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627452181 417416941 /nfs/dbraw/zinc/41/69/41/417416941.db2.gz DCLACWWBOBSCBZ-CYBMUJFWSA-N 1 0 309.410 0.425 10 30 DCEERO CC[N@H+](CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C1CC1 ZINC000369217898 276126297 /nfs/dbraw/zinc/12/62/97/276126297.db2.gz DEVINWIYCKPVQC-OAHLLOKOSA-N 1 0 305.426 0.852 10 30 DCEERO C[NH+]=C(NCc1nccn1CC(C)C)N[C@H]1CCC(=O)N(C)C1 ZINC000262663212 276844727 /nfs/dbraw/zinc/84/47/27/276844727.db2.gz MKCDLFZXPLJKFV-ZDUSSCGKSA-N 1 0 320.441 0.825 10 30 DCEERO C=C[C@](C)(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000355344621 276927377 /nfs/dbraw/zinc/92/73/77/276927377.db2.gz HTIUFFSNSQYDAH-BBRMVZONSA-N 1 0 313.442 0.522 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCC(=O)N2CCc3ccccc3C2)CCO1 ZINC000262443685 278390860 /nfs/dbraw/zinc/39/08/60/278390860.db2.gz IESOGNXURPFYOM-ZDUSSCGKSA-N 1 0 316.405 0.607 10 30 DCEERO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000363624665 279225476 /nfs/dbraw/zinc/22/54/76/279225476.db2.gz JRJJYQRKDOMPRB-MCIONIFRSA-N 1 0 314.455 0.881 10 30 DCEERO CC[C@H]1CN([C@H](C)C(=O)N(C)CCC#N)CC[N@@H+]1CCOC ZINC000247200141 288297989 /nfs/dbraw/zinc/29/79/89/288297989.db2.gz OWPSADIRIYCPFV-CABCVRRESA-N 1 0 310.442 0.790 10 30 DCEERO N#C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CCN1C1CC1 ZINC000363520375 303161006 /nfs/dbraw/zinc/16/10/06/303161006.db2.gz QOFUXBSYNSWXAD-MRXNPFEDSA-N 1 0 317.437 0.995 10 30 DCEERO C[C@](C#N)(NC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)C1CC1 ZINC000332760249 337396287 /nfs/dbraw/zinc/39/62/87/337396287.db2.gz YZQNUNXHLLSPKA-APHBMKBZSA-N 1 0 304.394 0.442 10 30 DCEERO C=CCOc1ccccc1C[NH2+]CCNS(=O)(=O)N(C)C ZINC000459541827 339034821 /nfs/dbraw/zinc/03/48/21/339034821.db2.gz UVLHUKMWXKTEQF-UHFFFAOYSA-N 1 0 313.423 0.737 10 30 DCEERO C=CCn1cc(CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)nn1 ZINC000564322089 341216279 /nfs/dbraw/zinc/21/62/79/341216279.db2.gz CWYXFYMVDATEEU-SNVBAGLBSA-N 1 0 301.354 0.544 10 30 DCEERO C#CCNC(=O)[C@@H](C)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248648092 341382675 /nfs/dbraw/zinc/38/26/75/341382675.db2.gz JHRALWATGUCYNM-WBVHZDCISA-N 1 0 314.433 0.973 10 30 DCEERO C[NH+]=C(NCCN(C)C1CC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262459247 526354656 /nfs/dbraw/zinc/35/46/56/526354656.db2.gz MAQSZSVCMPFKJM-ZDUSSCGKSA-N 1 0 304.442 0.879 10 30 DCEERO C[NH+]=C(NCCn1cccn1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262486446 526367122 /nfs/dbraw/zinc/36/71/22/526367122.db2.gz SQNINWNGIOFYFA-CYBMUJFWSA-N 1 0 301.398 0.682 10 30 DCEERO C[NH+]=C(NCCn1cccn1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261683863 526368245 /nfs/dbraw/zinc/36/82/45/526368245.db2.gz DKFITJSINIHQPH-OAHLLOKOSA-N 1 0 304.398 0.061 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCCCO1)N1CCN(Cc2ccon2)CC1 ZINC000261681349 526370716 /nfs/dbraw/zinc/37/07/16/526370716.db2.gz DDQOZDVHDWYCQT-HNNXBMFYSA-N 1 0 321.425 0.937 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCOC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158639963 526372064 /nfs/dbraw/zinc/37/20/64/526372064.db2.gz XLKLGIVMZCLCAA-NSHDSACASA-N 1 0 303.428 0.107 10 30 DCEERO C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCS[C@@H](C(C)C)C1 ZINC000153762071 526372467 /nfs/dbraw/zinc/37/24/67/526372467.db2.gz YBLVBJNZJDDVAZ-ZIAGYGMSSA-N 1 0 314.499 0.966 10 30 DCEERO C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262802251 526376318 /nfs/dbraw/zinc/37/63/18/526376318.db2.gz RLKBBPDWRLVEGI-KGLIPLIRSA-N 1 0 310.442 0.713 10 30 DCEERO C[NH+]=C(NC[C@H]1CCOC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000262043006 526377784 /nfs/dbraw/zinc/37/77/84/526377784.db2.gz YMYCOWJXIYAFDC-CYBMUJFWSA-N 1 0 310.442 0.930 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)NC[C@]2(CCO)CCOC2)CC1 ZINC000177622590 526434880 /nfs/dbraw/zinc/43/48/80/526434880.db2.gz YDZUZTXUTXKQGS-INIZCTEOSA-N 1 0 311.426 0.725 10 30 DCEERO C=CCOCCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371638216 526779166 /nfs/dbraw/zinc/77/91/66/526779166.db2.gz PJLMCMIZDVWCML-CQSZACIVSA-N 1 0 310.442 0.657 10 30 DCEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418821274 526792489 /nfs/dbraw/zinc/79/24/89/526792489.db2.gz GEADFUMQHYYUKH-MJBXVCDLSA-N 1 0 309.410 0.342 10 30 DCEERO CCO[C@@H]1C[C@H](NC(=[NH2+])N2CCO[C@@H](C)C2)C12CCOCC2 ZINC000262483813 527893518 /nfs/dbraw/zinc/89/35/18/527893518.db2.gz SCVMKRCZUQNPOJ-MELADBBJSA-N 1 0 311.426 0.996 10 30 DCEERO CC[NH+]=C(NCC1(O)CCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261672505 528803912 /nfs/dbraw/zinc/80/39/12/528803912.db2.gz CEQFTRINARBBIL-HNNXBMFYSA-N 1 0 308.426 0.469 10 30 DCEERO CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[C@H]1C ZINC000261684665 528804985 /nfs/dbraw/zinc/80/49/85/528804985.db2.gz RBYPLJVHYDPGRJ-DGCLKSJQSA-N 1 0 316.471 0.622 10 30 DCEERO CC[NH+]=C(NC[C@](C)(O)CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158602165 528814276 /nfs/dbraw/zinc/81/42/76/528814276.db2.gz PARIYOIEJQTNOF-CQSZACIVSA-N 1 0 319.471 0.622 10 30 DCEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1nnc2n1CCC2 ZINC000329366608 546047846 /nfs/dbraw/zinc/04/78/46/546047846.db2.gz GYGICZYZSRINQM-NEPJUHHUSA-N 1 0 304.398 0.807 10 30 DCEERO C[NH+]=C(NCCOCC1CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262021270 661964392 /nfs/dbraw/zinc/96/43/92/661964392.db2.gz YUXFTZQRFZBWIM-UHFFFAOYSA-N 1 0 317.455 0.497 10 30 DCEERO CC[NH+]=C(NCC1(O)CCCCC1)N[C@H]1CCC(=O)N(C)C1 ZINC000262769345 662573209 /nfs/dbraw/zinc/57/32/09/662573209.db2.gz HFFIXRJRIRAHNQ-ZDUSSCGKSA-N 1 0 310.442 0.858 10 30 DCEERO [NH2+]=C(NCCC(=O)N1CCN(c2ccccn2)CC1)NC1CC1 ZINC000195522758 685155027 /nfs/dbraw/zinc/15/50/27/685155027.db2.gz CHQMKZQSOHFYRQ-UHFFFAOYSA-N 1 0 316.409 0.187 10 30 DCEERO CN(C)C(=O)c1ccc(CNC(=[NH2+])NC[C@@H]2CCCO2)cc1 ZINC000303257451 685205942 /nfs/dbraw/zinc/20/59/42/685205942.db2.gz JHYRIJXCADNDCH-AWEZNQCLSA-N 1 0 304.394 0.972 10 30 DCEERO COC(=O)c1c(C)[nH]c(C(=O)C[N+]23CCN(CC2)CC3)c1C ZINC000007613124 717105385 /nfs/dbraw/zinc/10/53/85/717105385.db2.gz OHBRAOSUEBDESY-UHFFFAOYSA-O 1 0 306.386 0.747 10 30 DCEERO CCc1nc(CCNC(=[NH+]C)N2CCN(C3CC3)C(=O)C2)no1 ZINC000262814708 529733438 /nfs/dbraw/zinc/73/34/38/529733438.db2.gz WJGBTPSAEWNDPM-UHFFFAOYSA-N 1 0 320.397 0.057 10 30 DCEERO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000262336257 238172155 /nfs/dbraw/zinc/17/21/55/238172155.db2.gz ZJCMTIVQSPUTMS-NSHDSACASA-N 1 0 319.475 0.350 10 30 DCEERO [NH2+]=C(N[C@@H]1C[C@H]2OCCC[C@H]12)N1CCN(c2ncccn2)CC1 ZINC000262812268 238181899 /nfs/dbraw/zinc/18/18/99/238181899.db2.gz OGRFGNVVSUVLAH-MGPQQGTHSA-N 1 0 316.409 0.481 10 30 DCEERO CN(C)C(=[NH2+])NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000262665330 238178652 /nfs/dbraw/zinc/17/86/52/238178652.db2.gz OMKBVNSFAGHMQS-SNVBAGLBSA-N 1 0 316.452 0.635 10 30 DCEERO CN(C)C(=[NH2+])NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000263272063 238187042 /nfs/dbraw/zinc/18/70/42/238187042.db2.gz PHCZWFDZSGDXJW-NSHDSACASA-N 1 0 302.386 0.217 10 30 DCEERO N#CC1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000358356858 239045802 /nfs/dbraw/zinc/04/58/02/239045802.db2.gz XRSISJSKOJZTGR-UHFFFAOYSA-N 1 0 318.421 0.882 10 30 DCEERO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1C(=O)N1CCOCC1 ZINC000408473778 239268930 /nfs/dbraw/zinc/26/89/30/239268930.db2.gz ICZVTBKOGBHQOL-RBSFLKMASA-N 1 0 304.394 0.857 10 30 DCEERO CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000076513041 396205396 /nfs/dbraw/zinc/20/53/96/396205396.db2.gz YNUBHYVLVWHCNN-CVEARBPZSA-N 1 0 317.389 0.898 10 30 DCEERO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177248327 396170181 /nfs/dbraw/zinc/17/01/81/396170181.db2.gz YGKYIYXNFCUWTF-CVEARBPZSA-N 1 0 307.438 0.840 10 30 DCEERO COC[C@](C)(CCO)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000079921008 396272315 /nfs/dbraw/zinc/27/23/15/396272315.db2.gz FSNFENAMYYXQPU-HOCLYGCPSA-N 1 0 308.378 0.675 10 30 DCEERO N#Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000179169342 396222704 /nfs/dbraw/zinc/22/27/04/396222704.db2.gz XYRQRVKRBXVIPZ-NEPJUHHUSA-N 1 0 309.753 0.578 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000320538112 396814495 /nfs/dbraw/zinc/81/44/95/396814495.db2.gz OLTXLMSYWHBSKT-OAHLLOKOSA-N 1 0 322.453 0.213 10 30 DCEERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000066457660 158035688 /nfs/dbraw/zinc/03/56/88/158035688.db2.gz ABCVLBMFJJRQFC-SNPRPXQTSA-N 1 0 317.389 0.884 10 30 DCEERO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000170812255 158377076 /nfs/dbraw/zinc/37/70/76/158377076.db2.gz RIADLMMFRRUACN-DLBZAZTESA-N 1 0 301.390 0.998 10 30 DCEERO COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000261614138 158722833 /nfs/dbraw/zinc/72/28/33/158722833.db2.gz ARYQDJALIZPBLM-PWSUYJOCSA-N 1 0 309.391 0.843 10 30 DCEERO N#Cc1ncn(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000330248691 159154075 /nfs/dbraw/zinc/15/40/75/159154075.db2.gz ZKKIAOLBWZEEMO-UHFFFAOYSA-N 1 0 302.382 0.484 10 30 DCEERO N#Cc1cnccc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364349749 159274509 /nfs/dbraw/zinc/27/45/09/159274509.db2.gz YLDFLYDUGRZTTJ-UHFFFAOYSA-N 1 0 302.378 0.617 10 30 DCEERO C=CCNC(=O)[C@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000105868444 415637412 /nfs/dbraw/zinc/63/74/12/415637412.db2.gz YORSSMYEOKCOEY-ZDUSSCGKSA-N 1 0 319.409 0.688 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2CCOC2)CC1 ZINC000343769169 415719775 /nfs/dbraw/zinc/71/97/75/415719775.db2.gz SJMVQWUNBGYMGB-CYBMUJFWSA-N 1 0 309.410 0.296 10 30 DCEERO C=CCNC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000117467877 415731039 /nfs/dbraw/zinc/73/10/39/415731039.db2.gz RZFOYWOSPCYNIC-HNNXBMFYSA-N 1 0 319.405 0.940 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC([C@H](C)O)CC2)CC1 ZINC000343734224 415703187 /nfs/dbraw/zinc/70/31/87/415703187.db2.gz YRAIAAMPPXEPHC-ZDUSSCGKSA-N 1 0 323.437 0.372 10 30 DCEERO C#CCC(CC#C)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000289307903 415704341 /nfs/dbraw/zinc/70/43/41/415704341.db2.gz ZUQVCDOCWOILHQ-UHFFFAOYSA-N 1 0 317.433 0.662 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000127112707 415882816 /nfs/dbraw/zinc/88/28/16/415882816.db2.gz AEIOPROIMDEKHI-OAHLLOKOSA-N 1 0 315.421 0.862 10 30 DCEERO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC000305780907 416105067 /nfs/dbraw/zinc/10/50/67/416105067.db2.gz TZGLUUJXQRQJKM-OWCLPIDISA-N 1 0 322.453 0.381 10 30 DCEERO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)CC3(C#N)CC3)[C@H]2C1 ZINC000328817418 416134304 /nfs/dbraw/zinc/13/43/04/416134304.db2.gz GVDUHVIPXQFCOB-QWHCGFSZSA-N 1 0 313.423 0.415 10 30 DCEERO CC(C)[NH+]1CCC(NC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000328962091 416141141 /nfs/dbraw/zinc/14/11/41/416141141.db2.gz LAAZQCMUTCIFHT-UONOGXRCSA-N 1 0 322.413 0.594 10 30 DCEERO C[C@@H]1C[C@H](NC([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC[N@@H+]1C ZINC000329054396 416146982 /nfs/dbraw/zinc/14/69/82/416146982.db2.gz LQYLZFKQPIQLEV-FVCCEPFGSA-N 1 0 308.386 0.204 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000330715727 416233124 /nfs/dbraw/zinc/23/31/24/416233124.db2.gz CIVHPCXXIQVKCD-ZDUSSCGKSA-N 1 0 322.409 0.537 10 30 DCEERO C=C(C)CS(=O)(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000184477444 416251473 /nfs/dbraw/zinc/25/14/73/416251473.db2.gz QIEASXZKJCYBEL-HNNXBMFYSA-N 1 0 315.483 0.994 10 30 DCEERO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000491279270 416592876 /nfs/dbraw/zinc/59/28/76/416592876.db2.gz XNJUNQCOMQMPST-HNNXBMFYSA-N 1 0 304.394 0.586 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000612659466 416670991 /nfs/dbraw/zinc/67/09/91/416670991.db2.gz PCBPFLSBPGHUBP-CABCVRRESA-N 1 0 311.426 0.420 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)S(N)(=O)=O)CC1 ZINC000443428569 416758502 /nfs/dbraw/zinc/75/85/02/416758502.db2.gz PIIVIUSCDDHBPB-NSHDSACASA-N 1 0 318.443 0.003 10 30 DCEERO C=CC[C@@H](CC)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529327098 417440365 /nfs/dbraw/zinc/44/03/65/417440365.db2.gz BBBYSXBTJXAVDQ-CQSZACIVSA-N 1 0 323.441 0.694 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000575041574 417500713 /nfs/dbraw/zinc/50/07/13/417500713.db2.gz QJKYESNKPXZFAO-GJZGRUSLSA-N 1 0 324.469 0.903 10 30 DCEERO C[NH+](C)C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)CCO1 ZINC000105927121 335084682 /nfs/dbraw/zinc/08/46/82/335084682.db2.gz VFLCYRLBLCBUTP-CQSZACIVSA-N 1 0 308.426 0.591 10 30 DCEERO CC[N@H+](CCO)CCNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000183935403 261117258 /nfs/dbraw/zinc/11/72/58/261117258.db2.gz IWACWGHSLSGDOB-CYBMUJFWSA-N 1 0 305.378 0.756 10 30 DCEERO CN(C)C(=O)CC[NH+]1CCC(Nc2ccncc2C#N)CC1 ZINC000547824867 288082794 /nfs/dbraw/zinc/08/27/94/288082794.db2.gz GPDQHAPKSUREQP-UHFFFAOYSA-N 1 0 301.394 0.730 10 30 DCEERO Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NC[C@H]2CCC[N@H+]2C)n1 ZINC000329960326 336100000 /nfs/dbraw/zinc/10/00/00/336100000.db2.gz ROENWZXPQFOATG-IJLUTSLNSA-N 1 0 309.370 0.494 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000425869244 338018039 /nfs/dbraw/zinc/01/80/39/338018039.db2.gz JUHHGNYPEUSIRN-KKUMJFAQSA-N 1 0 323.437 0.542 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCO[C@H]2C=C)CC1 ZINC000425890820 338018347 /nfs/dbraw/zinc/01/83/47/338018347.db2.gz XBPSNNNTROZSEF-ZFWWWQNUSA-N 1 0 321.421 0.460 10 30 DCEERO CC[C@@H]1CN(CCC(=O)N(C)CCC#N)CC[N@@H+]1C[C@H](C)O ZINC000245676813 341308861 /nfs/dbraw/zinc/30/88/61/341308861.db2.gz JELSRGFCDGDOAS-LSDHHAIUSA-N 1 0 310.442 0.526 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCCC2CCS(=O)(=O)CC2)CCO1 ZINC000262450978 533787133 /nfs/dbraw/zinc/78/71/33/533787133.db2.gz JTOVCZZKNGTPOU-NSHDSACASA-N 1 0 303.428 0.237 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCC[S@@](=O)Cc2ccccc2)CCO1 ZINC000262432880 533788069 /nfs/dbraw/zinc/78/80/69/533788069.db2.gz FQYDKRDEKZOUMA-YEJXKQKISA-N 1 0 309.435 0.971 10 30 DCEERO C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@@H+]1CCO ZINC000187657400 534461151 /nfs/dbraw/zinc/46/11/51/534461151.db2.gz AQRDLMVSTSMQOU-CQSZACIVSA-N 1 0 316.405 0.885 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000425873653 534592525 /nfs/dbraw/zinc/59/25/25/534592525.db2.gz KRZFEDGJEVACDF-KKUMJFAQSA-N 1 0 311.426 0.724 10 30 DCEERO CN1CCO[C@@H](C[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000113438939 523940280 /nfs/dbraw/zinc/94/02/80/523940280.db2.gz GLCAGUQCJXZVQW-JKSUJKDBSA-N 1 0 314.389 0.584 10 30 DCEERO C[NH+]=C(NCCNC(=O)c1cnccn1)N1CCc2ccccc21 ZINC000263257444 526361101 /nfs/dbraw/zinc/36/11/01/526361101.db2.gz RDQJDRUERHZPAK-UHFFFAOYSA-N 1 0 324.388 0.845 10 30 DCEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@H]1CCCn2nc(C)nc21 ZINC000262800520 526376384 /nfs/dbraw/zinc/37/63/84/526376384.db2.gz RAKSIFNCMGWDDM-IUCAKERBSA-N 1 0 320.319 0.510 10 30 DCEERO C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1CCC(=O)N(C)C1 ZINC000262822540 526378700 /nfs/dbraw/zinc/37/87/00/526378700.db2.gz XJSAFMARVUEBRG-WWGRRREGSA-N 1 0 310.442 0.713 10 30 DCEERO C=CCNC(=[NH2+])NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000263251091 526388367 /nfs/dbraw/zinc/38/83/67/526388367.db2.gz JKWAQMVLGGCGEE-GFCCVEGCSA-N 1 0 314.397 0.431 10 30 DCEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262589432 526394958 /nfs/dbraw/zinc/39/49/58/526394958.db2.gz UJWIJFQGUDGCSV-CHWSQXEVSA-N 1 0 308.426 0.684 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246318590 526610796 /nfs/dbraw/zinc/61/07/96/526610796.db2.gz CWOHDQYPTVDCTI-HZSPNIEDSA-N 1 0 324.425 0.039 10 30 DCEERO C=CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000262374120 526846969 /nfs/dbraw/zinc/84/69/69/526846969.db2.gz WMIPETUPBYLXMV-QWHCGFSZSA-N 1 0 306.362 0.570 10 30 DCEERO C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000184305452 527131244 /nfs/dbraw/zinc/13/12/44/527131244.db2.gz CCGSPJFQTGNKBP-ZDUSSCGKSA-N 1 0 315.373 0.848 10 30 DCEERO C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275911174 527193267 /nfs/dbraw/zinc/19/32/67/527193267.db2.gz VLYXMPJYFLTTRX-CQSZACIVSA-N 1 0 319.405 0.782 10 30 DCEERO C=CCc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc(OC)c1OC ZINC000262296845 527233147 /nfs/dbraw/zinc/23/31/47/527233147.db2.gz PEWWNGLBJIZXLO-ZIAGYGMSSA-N 1 0 320.389 0.742 10 30 DCEERO CC[NH+]=C(NCC1(O)CCC1)N1CCN(C(=O)C(C)C)CC1 ZINC000262771673 528803354 /nfs/dbraw/zinc/80/33/54/528803354.db2.gz HUYMTDFFTVMQCD-UHFFFAOYSA-N 1 0 310.442 0.667 10 30 DCEERO CC[C@](C)(O)CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261948932 529374190 /nfs/dbraw/zinc/37/41/90/529374190.db2.gz GTHBDCHOVZRVBV-ZDUSSCGKSA-N 1 0 305.444 0.232 10 30 DCEERO Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000329614884 546051683 /nfs/dbraw/zinc/05/16/83/546051683.db2.gz DCPKLUHJRQGNDH-KBPBESRZSA-N 1 0 318.425 0.843 10 30 DCEERO C=C(Br)CS(=O)(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260246 548748866 /nfs/dbraw/zinc/74/88/66/548748866.db2.gz QBNCRIPMGQOWLE-UHFFFAOYSA-N 1 0 321.200 0.678 10 30 DCEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)C(C)(C)NS(C)(=O)=O ZINC000121671286 667410999 /nfs/dbraw/zinc/41/09/99/667410999.db2.gz XUJLSJKSTYZPRK-LBPRGKRZSA-N 1 0 318.439 0.591 10 30 DCEERO C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCC[N@H+]2CCOC)C1=O ZINC000348402044 663781583 /nfs/dbraw/zinc/78/15/83/663781583.db2.gz YULHRFZLFGSBHK-OLZOCXBDSA-N 1 0 311.382 0.220 10 30 DCEERO C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N[C@@H]1CCc2ncnn2C1 ZINC000151246670 664298395 /nfs/dbraw/zinc/29/83/95/664298395.db2.gz SHMJVUZFDRGWSO-HSMVNMDESA-N 1 0 320.441 0.962 10 30 DCEERO COC(=O)c1ccc(NC(=O)[C@@H](C)[N+]23CCN(CC2)CC3)cc1 ZINC000029228772 717117887 /nfs/dbraw/zinc/11/78/87/717117887.db2.gz IHYBQBKFOKNFRA-CYBMUJFWSA-O 1 0 318.397 0.946 10 30 DCEERO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)CC(C)(C)CC#N)[C@@H]2C1 ZINC000408461751 529808010 /nfs/dbraw/zinc/80/80/10/529808010.db2.gz WMIHFEALKIEDMC-CHWSQXEVSA-N 1 0 315.439 0.661 10 30 DCEERO [NH2+]=C(NCc1ccc(-n2cncn2)cc1)NC[C@H]1CCCO1 ZINC000261714567 238165497 /nfs/dbraw/zinc/16/54/97/238165497.db2.gz FAISPSOORJOGDX-CQSZACIVSA-N 1 0 300.366 0.851 10 30 DCEERO COCCS(=O)(=O)N(C)Cc1csc(C#CC[NH3+])c1 ZINC000042810881 183311578 /nfs/dbraw/zinc/31/15/78/183311578.db2.gz SRJDVOSBVJDXQH-UHFFFAOYSA-N 1 0 302.421 0.466 10 30 DCEERO CS(=O)(=O)c1cccnc1CNC(=[NH2+])N1CCSCC1 ZINC000262818437 533464899 /nfs/dbraw/zinc/46/48/99/533464899.db2.gz WGAXLDMOPGHQNF-UHFFFAOYSA-N 1 0 314.436 0.349 10 30 DCEERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(CCC#N)CCC#N)C[C@H]1C ZINC000105824519 395780797 /nfs/dbraw/zinc/78/07/97/395780797.db2.gz PHYWKVBCTRUXPR-HUUCEWRRSA-N 1 0 321.425 0.029 10 30 DCEERO N#Cc1cccc(S(=O)(=O)CCN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000131255968 395925041 /nfs/dbraw/zinc/92/50/41/395925041.db2.gz FOZNEAAOCMLOQI-ZIAGYGMSSA-N 1 0 305.403 0.483 10 30 DCEERO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccn1-c1cccc(C#N)c1 ZINC000067982843 396041684 /nfs/dbraw/zinc/04/16/84/396041684.db2.gz DMHFZSRWEGQQDR-PBHICJAKSA-N 1 0 323.400 0.997 10 30 DCEERO CN(CC(=O)N1CC[NH2+]CC1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000262010970 396090025 /nfs/dbraw/zinc/09/00/25/396090025.db2.gz WLDPZTOWDFKMRW-UHFFFAOYSA-N 1 0 303.322 0.334 10 30 DCEERO N#Cc1ccc(NC(=O)CN2C[C@H](O)C[C@@H]2CO)cc1Cl ZINC000179178709 396223337 /nfs/dbraw/zinc/22/33/37/396223337.db2.gz WGYANEOGZJOUTI-VXGBXAGGSA-N 1 0 309.753 0.578 10 30 DCEERO CC[C@@H]1CN(C(=O)c2ccnc(C#N)c2)CC[N@@H+]1C[C@@H](C)O ZINC000193379008 396450341 /nfs/dbraw/zinc/45/03/41/396450341.db2.gz KGYDRBGDNRZFFZ-IUODEOHRSA-N 1 0 302.378 0.870 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000611648968 396902335 /nfs/dbraw/zinc/90/23/35/396902335.db2.gz LMPPJXPAOYDGLF-OCCSQVGLSA-N 1 0 309.410 0.294 10 30 DCEERO C=CCSCCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000591372998 396911524 /nfs/dbraw/zinc/91/15/24/396911524.db2.gz IWSAKKLIXXLPED-OAHLLOKOSA-N 1 0 311.451 0.624 10 30 DCEERO C=CCOCCCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000611824034 396934664 /nfs/dbraw/zinc/93/46/64/396934664.db2.gz YIAGIMPFOPUYAR-OAHLLOKOSA-N 1 0 323.437 0.828 10 30 DCEERO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)C1=O ZINC000599396872 397428593 /nfs/dbraw/zinc/42/85/93/397428593.db2.gz LAGMJTIALFXMFP-CABCVRRESA-N 1 0 321.421 0.776 10 30 DCEERO CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000118856989 158179013 /nfs/dbraw/zinc/17/90/13/158179013.db2.gz PCKSNCPWKRWQTD-MRXNPFEDSA-N 1 0 316.405 0.885 10 30 DCEERO CCOc1cc2c(C#N)c(N3CC[NH2+]CC3)nc(N)c2c(N)n1 ZINC000003300094 415129291 /nfs/dbraw/zinc/12/92/91/415129291.db2.gz YCUDOMCVZKVKEI-UHFFFAOYSA-N 1 0 313.365 0.474 10 30 DCEERO CN1CCO[C@H]2CCN(CC(=O)NC3(C#N)CCCCC3)C[C@@H]21 ZINC000332755516 415467110 /nfs/dbraw/zinc/46/71/10/415467110.db2.gz KHWZPAQIJVPRJF-GJZGRUSLSA-N 1 0 320.437 0.734 10 30 DCEERO C#CCC(CC#C)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000288162439 415677726 /nfs/dbraw/zinc/67/77/26/415677726.db2.gz MBGUTLSNEDHRLH-MRXNPFEDSA-N 1 0 315.417 0.414 10 30 DCEERO COCCN1CCN(S(=O)(=O)CCCCC#N)C[C@H]1C ZINC000117369369 415733295 /nfs/dbraw/zinc/73/32/95/415733295.db2.gz YROIINSRUFYASB-CYBMUJFWSA-N 1 0 303.428 0.663 10 30 DCEERO C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000118105501 415737994 /nfs/dbraw/zinc/73/79/94/415737994.db2.gz WBVOGBMQRJNRJZ-AWEZNQCLSA-N 1 0 315.373 0.848 10 30 DCEERO C#CCSCCNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000121524162 415806657 /nfs/dbraw/zinc/80/66/57/415806657.db2.gz PWDIJEKAZJZFNJ-OAHLLOKOSA-N 1 0 324.494 0.774 10 30 DCEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329062722 416146865 /nfs/dbraw/zinc/14/68/65/416146865.db2.gz NZKIUSUXXUEVEP-YIYPIFLZSA-N 1 0 322.413 0.450 10 30 DCEERO CC(C)N1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1=O ZINC000329525533 416175399 /nfs/dbraw/zinc/17/53/99/416175399.db2.gz HDPJDUAFGMOEFP-MELADBBJSA-N 1 0 308.426 0.936 10 30 DCEERO C=CCNC(=O)CN1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000351303559 416273146 /nfs/dbraw/zinc/27/31/46/416273146.db2.gz MSNGRAVPXVAVOU-UHFFFAOYSA-N 1 0 308.470 0.782 10 30 DCEERO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCN1CCO ZINC000190036311 416273986 /nfs/dbraw/zinc/27/39/86/416273986.db2.gz JTQCESRVMPPXJH-GFCCVEGCSA-N 1 0 316.361 0.022 10 30 DCEERO C[C@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC000360251086 416382120 /nfs/dbraw/zinc/38/21/20/416382120.db2.gz KTQOMWJVDIQPLZ-VXGBXAGGSA-N 1 0 304.398 0.899 10 30 DCEERO C=CCCCNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000584186651 416507695 /nfs/dbraw/zinc/50/76/95/416507695.db2.gz OXLWIEQFNJFKRQ-UHFFFAOYSA-N 1 0 310.442 0.213 10 30 DCEERO C#CCNC(=O)CN1CC[NH+](CCCCC2(C)OCCO2)CC1 ZINC000491744029 416622436 /nfs/dbraw/zinc/62/24/36/416622436.db2.gz RUPPZVNNBPHURQ-UHFFFAOYSA-N 1 0 323.437 0.287 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000424450017 416646307 /nfs/dbraw/zinc/64/63/07/416646307.db2.gz VGTYUKFJEVUPID-JSGCOSHPSA-N 1 0 303.362 0.791 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000424542458 416662247 /nfs/dbraw/zinc/66/22/47/416662247.db2.gz IKNUGFYKAVCMLL-YTFOTSKYSA-N 1 0 321.421 0.280 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000424551607 416663419 /nfs/dbraw/zinc/66/34/19/416663419.db2.gz WJFNKAKIIKFICV-FQUUOJAGSA-N 1 0 309.410 0.280 10 30 DCEERO CC#CCNC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000623822520 416902585 /nfs/dbraw/zinc/90/25/85/416902585.db2.gz NDMVIZCJUKJOFD-OAHLLOKOSA-N 1 0 302.378 0.605 10 30 DCEERO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOCC[C@@H]2C)CC1 ZINC000374992611 416992148 /nfs/dbraw/zinc/99/21/48/416992148.db2.gz ZWAIMXWNVKETNO-JKSUJKDBSA-N 1 0 322.453 0.790 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000407958777 417127304 /nfs/dbraw/zinc/12/73/04/417127304.db2.gz STUUZOOXNZBFPQ-AGIUHOORSA-N 1 0 302.444 0.737 10 30 DCEERO C=CCNC(=O)c1ccc(N2CC[N@@H+](CCO)C[C@H]2C)nc1 ZINC000450956936 417286200 /nfs/dbraw/zinc/28/62/00/417286200.db2.gz SLLRSWJHMINROB-CYBMUJFWSA-N 1 0 304.394 0.500 10 30 DCEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627290591 417333102 /nfs/dbraw/zinc/33/31/02/417333102.db2.gz UVRITZFWFJJBQO-MJBXVCDLSA-N 1 0 321.421 0.485 10 30 DCEERO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(C#N)n1C ZINC000451800012 417401154 /nfs/dbraw/zinc/40/11/54/417401154.db2.gz YNQICIGSECGLDD-UHFFFAOYSA-N 1 0 305.426 0.852 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574071332 417479625 /nfs/dbraw/zinc/47/96/25/417479625.db2.gz LDDSKCANTOTFEP-ZNMIVQPWSA-N 1 0 308.426 0.267 10 30 DCEERO CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@H]1CCC(=O)NC1 ZINC000262817218 275803445 /nfs/dbraw/zinc/80/34/45/275803445.db2.gz VXPHHFHMKQWTPW-XEZPLFJOSA-N 1 0 310.442 0.761 10 30 DCEERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000330212422 336124884 /nfs/dbraw/zinc/12/48/84/336124884.db2.gz KDKQCCRZSCPPGF-TYNCELHUSA-N 1 0 321.425 0.568 10 30 DCEERO CN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CCOC1 ZINC000330312177 336151976 /nfs/dbraw/zinc/15/19/76/336151976.db2.gz OCGKMYMZTRMHST-KFWWJZLASA-N 1 0 311.426 0.999 10 30 DCEERO C=CC[C@@H](CO)CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418672039 337388654 /nfs/dbraw/zinc/38/86/54/337388654.db2.gz LXMZXRTUFOXDTG-QQFBHYJXSA-N 1 0 324.469 0.687 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000425866219 338017974 /nfs/dbraw/zinc/01/79/74/338017974.db2.gz FIUZLDWQGXXBNE-YDHLFZDLSA-N 1 0 321.421 0.294 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000425910333 338018890 /nfs/dbraw/zinc/01/88/90/338018890.db2.gz VERAOGIEWBSJMN-XGUBFFRZSA-N 1 0 321.421 0.389 10 30 DCEERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000173451995 340365273 /nfs/dbraw/zinc/36/52/73/340365273.db2.gz VUOCYJFYALHVOB-HUUCEWRRSA-N 1 0 310.442 0.383 10 30 DCEERO C=C(CC)CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529333471 340753119 /nfs/dbraw/zinc/75/31/19/340753119.db2.gz WMQWAZJVEMHPRU-UHFFFAOYSA-N 1 0 309.414 0.305 10 30 DCEERO C=CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000126443838 340827107 /nfs/dbraw/zinc/82/71/07/340827107.db2.gz ZVBLRKCZRLXWMH-HNNXBMFYSA-N 1 0 318.421 0.761 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000262492383 534270959 /nfs/dbraw/zinc/27/09/59/534270959.db2.gz VJBUYIBZWAQUKN-MGPQQGTHSA-N 1 0 312.458 0.910 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCC3(CCOCC3)[C@@H]2O)CCO1 ZINC000261676719 534271377 /nfs/dbraw/zinc/27/13/77/534271377.db2.gz PWVNIPYOUMXDTF-MGPQQGTHSA-N 1 0 311.426 0.590 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCc2cccc(N3CCOCC3)n2)CCO1 ZINC000262465119 534271885 /nfs/dbraw/zinc/27/18/85/534271885.db2.gz NNZLNTSAZNBXJK-CYBMUJFWSA-N 1 0 319.409 0.454 10 30 DCEERO CC[C@H]1CN(C(=O)c2cc(C#N)cn2C)CC[N@@H+]1C[C@H](C)O ZINC000246341406 523249232 /nfs/dbraw/zinc/24/92/32/523249232.db2.gz FINBADQCMCUQGQ-JSGCOSHPSA-N 1 0 304.394 0.814 10 30 DCEERO C[NH+]=C(NCC(=O)N(C)C)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000261693153 526345269 /nfs/dbraw/zinc/34/52/69/526345269.db2.gz FIWVOYFFFZVOLK-JTQLQIEISA-N 1 0 308.430 0.221 10 30 DCEERO C[NH+]=C(NCC(=O)N(C)C)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000262250188 526346121 /nfs/dbraw/zinc/34/61/21/526346121.db2.gz BUOMABYVVPUUID-YPMHNXCESA-N 1 0 304.394 0.804 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCc2nnc(C)n2C1 ZINC000262442330 526370019 /nfs/dbraw/zinc/37/00/19/526370019.db2.gz NZRLYMWWNVRWFR-STQMWFEESA-N 1 0 306.414 0.493 10 30 DCEERO C[NH+]=C(NC[C@@H]1CN(C)CCO1)NC[C@@]1(C)CCCS1 ZINC000159275221 526373794 /nfs/dbraw/zinc/37/37/94/526373794.db2.gz FYKJGNQAKKJHPG-TZMCWYRMSA-N 1 0 300.472 0.768 10 30 DCEERO C[NH+]=C(NCc1noc(C)n1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261983553 526393609 /nfs/dbraw/zinc/39/36/09/526393609.db2.gz RPNQLKSRARENIM-UHFFFAOYSA-N 1 0 322.413 0.785 10 30 DCEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000262007602 526394261 /nfs/dbraw/zinc/39/42/61/526394261.db2.gz VYASSQAHYBATGA-RRFJBIMHSA-N 1 0 321.469 0.599 10 30 DCEERO C[NH+]=C(N[C@@H]1CC1(C)C)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000261975401 526395130 /nfs/dbraw/zinc/39/51/30/526395130.db2.gz NOWWJTRMPWVCSF-GHMZBOCLSA-N 1 0 306.414 0.703 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261658229 528810770 /nfs/dbraw/zinc/81/07/70/528810770.db2.gz FTKPUMOGXLDVAD-MCIONIFRSA-N 1 0 312.458 0.686 10 30 DCEERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC(=O)NC2=O)C1 ZINC000328634403 546038434 /nfs/dbraw/zinc/03/84/34/546038434.db2.gz BJNOBPYNHNWBJW-LLVKDONJSA-N 1 0 312.370 0.692 10 30 DCEERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000329444631 546049151 /nfs/dbraw/zinc/04/91/51/546049151.db2.gz BDNIJISAXAHTHZ-ILXRZTDVSA-N 1 0 312.458 0.677 10 30 DCEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119708018 661971088 /nfs/dbraw/zinc/97/10/88/661971088.db2.gz GLTKFZZMPWTXTH-RYUDHWBXSA-N 1 0 308.403 0.879 10 30 DCEERO CC[S@](=O)CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000132748387 669743880 /nfs/dbraw/zinc/74/38/80/669743880.db2.gz XZRRZRDIADQVIL-LJQANCHMSA-N 1 0 314.432 0.690 10 30 DCEERO CC(C)Cn1ccnc1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000304757801 685211796 /nfs/dbraw/zinc/21/17/96/685211796.db2.gz PHMOXQJFBPGUSV-UHFFFAOYSA-N 1 0 322.457 0.666 10 30 DCEERO C=CCN1CC[C@@H]([N@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)C1=O ZINC000366906115 685225585 /nfs/dbraw/zinc/22/55/85/685225585.db2.gz XGBSAEQAOZMFDK-WOSRLPQWSA-N 1 0 308.378 0.285 10 30 DCEERO C#CC[N@H+](C)CCCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307888694 774140552 /nfs/dbraw/zinc/14/05/52/774140552.db2.gz FGWHSXITOGAEBW-UHFFFAOYSA-N 1 0 323.418 0.357 10 30 DCEERO CN1CCC[NH+]=C1NCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000263170208 530054114 /nfs/dbraw/zinc/05/41/14/530054114.db2.gz RYCASJPDROHGAP-CYBMUJFWSA-N 1 0 302.378 0.908 10 30 DCEERO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262094937 282877245 /nfs/dbraw/zinc/87/72/45/282877245.db2.gz HTMRUOIXQYLFGL-OUCADQQQSA-N 1 0 307.398 0.581 10 30 DCEERO [NH2+]=C(NCc1cccnc1N1CCOCC1)NC[C@H]1CCCO1 ZINC000161493001 237093152 /nfs/dbraw/zinc/09/31/52/237093152.db2.gz JCVMPTJRIUMSEF-CQSZACIVSA-N 1 0 319.409 0.502 10 30 DCEERO C[N+](C)=C1S[C@@H]2CS(=O)(=O)C[C@@]2(Br)S1 ZINC000039422928 183018127 /nfs/dbraw/zinc/01/81/27/183018127.db2.gz FTZNZOHSKMPERR-IYSWYEEDSA-N 1 0 317.275 0.983 10 30 DCEERO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COC[C@H]2CCCO2)C1=O ZINC000532205746 396599782 /nfs/dbraw/zinc/59/97/82/396599782.db2.gz HTCUAKYDBFKUCA-KFWWJZLASA-N 1 0 312.410 0.262 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000611640389 396900190 /nfs/dbraw/zinc/90/01/90/396900190.db2.gz HEOTYQZWPCQYOU-QWHCGFSZSA-N 1 0 309.410 0.437 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000600741243 396935464 /nfs/dbraw/zinc/93/54/64/396935464.db2.gz CXLPAKVOHUHELJ-ONGXEEELSA-N 1 0 322.331 0.600 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000612053163 396990399 /nfs/dbraw/zinc/99/03/99/396990399.db2.gz PXWGFNXERZCVRI-HNNXBMFYSA-N 1 0 311.426 0.684 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000611999526 396977299 /nfs/dbraw/zinc/97/72/99/396977299.db2.gz WHNQPSLVEMUGHN-MJBXVCDLSA-N 1 0 309.410 0.294 10 30 DCEERO C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)n1cnc(C#N)n1 ZINC000619613898 397159475 /nfs/dbraw/zinc/15/94/75/397159475.db2.gz UNZMARXAUSTTDK-GXFFZTMASA-N 1 0 308.411 0.264 10 30 DCEERO C=CCn1cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)nn1 ZINC000620980671 397327871 /nfs/dbraw/zinc/32/78/71/397327871.db2.gz YUVBKMPCOMYNFX-ZDUSSCGKSA-N 1 0 307.398 0.647 10 30 DCEERO C=C(C)C[C@@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)C(=O)OC ZINC000602599409 397446729 /nfs/dbraw/zinc/44/67/29/397446729.db2.gz IZRHBRMWAMQZKF-ZWNOBZJWSA-N 1 0 306.366 0.724 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1CC ZINC000614202087 397398848 /nfs/dbraw/zinc/39/88/48/397398848.db2.gz KQXAAHSOVXQIKC-CHWSQXEVSA-N 1 0 310.398 0.235 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC([C@@H](C)O)CC2)CC1 ZINC000343734216 415701593 /nfs/dbraw/zinc/70/15/93/415701593.db2.gz YRAIAAMPPXEPHC-CYBMUJFWSA-N 1 0 323.437 0.372 10 30 DCEERO C=C[C@](C)(O)CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000354258416 415786596 /nfs/dbraw/zinc/78/65/96/415786596.db2.gz ZTBJOXYRWFRMCZ-RDJZCZTQSA-N 1 0 309.454 0.942 10 30 DCEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN1CCNC(=O)C1 ZINC000329296068 416161064 /nfs/dbraw/zinc/16/10/64/416161064.db2.gz KICCSWSJOUVVDE-KGLIPLIRSA-N 1 0 323.441 0.731 10 30 DCEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(CCC#N)CCC#N ZINC000247475041 416332992 /nfs/dbraw/zinc/33/29/92/416332992.db2.gz SAFFRMNSACCENQ-CABCVRRESA-N 1 0 303.410 0.811 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418821276 416391172 /nfs/dbraw/zinc/39/11/72/416391172.db2.gz GEADFUMQHYYUKH-RDBSUJKOSA-N 1 0 309.410 0.342 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000425907874 416736083 /nfs/dbraw/zinc/73/60/83/416736083.db2.gz DXUXVYMCKVCKLO-KKUMJFAQSA-N 1 0 323.437 0.494 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000425907873 416736772 /nfs/dbraw/zinc/73/67/72/416736772.db2.gz DXUXVYMCKVCKLO-ILXRZTDVSA-N 1 0 323.437 0.494 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000615349105 416815936 /nfs/dbraw/zinc/81/59/36/416815936.db2.gz NLXOYKRYUKXOPD-HRCADAONSA-N 1 0 323.437 0.779 10 30 DCEERO COc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000527343989 417236572 /nfs/dbraw/zinc/23/65/72/417236572.db2.gz SRQAMRVAFYIOHR-UHFFFAOYSA-N 1 0 318.377 0.915 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000627421429 417403282 /nfs/dbraw/zinc/40/32/82/417403282.db2.gz JLSJPBLWDVUROC-MJBXVCDLSA-N 1 0 309.410 0.150 10 30 DCEERO C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCOCC[NH2+]C ZINC000627460982 417424402 /nfs/dbraw/zinc/42/44/02/417424402.db2.gz BCTNCOXFPNUEGS-UONOGXRCSA-N 1 0 311.426 0.590 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)nn2CC)CC1 ZINC000627366563 417377827 /nfs/dbraw/zinc/37/78/27/417377827.db2.gz VOXGANBGMUTIFF-UHFFFAOYSA-N 1 0 319.409 0.917 10 30 DCEERO CC[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262460028 280841246 /nfs/dbraw/zinc/84/12/46/280841246.db2.gz MEWINXZGJIGKNI-UKRRQHHQSA-N 1 0 321.425 0.590 10 30 DCEERO C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CC(=O)N(C)C3)CC2)CCO1 ZINC000330136036 336116987 /nfs/dbraw/zinc/11/69/87/336116987.db2.gz NAPONRVAHHCCST-CHWSQXEVSA-N 1 0 324.425 0.316 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000424536839 337854061 /nfs/dbraw/zinc/85/40/61/337854061.db2.gz BPNWIUBDFQNHGK-LXFSFDBISA-N 1 0 321.421 0.198 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000424549609 337858798 /nfs/dbraw/zinc/85/87/98/337858798.db2.gz RTVUGTMYHNDWSX-MJBXVCDLSA-N 1 0 309.410 0.294 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000424553508 337859362 /nfs/dbraw/zinc/85/93/62/337859362.db2.gz ZPTRDAWHSJLZCR-IHRRRGAJSA-N 1 0 309.410 0.327 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCc2ncccc2S(C)(=O)=O)CCO1 ZINC000262477824 533788003 /nfs/dbraw/zinc/78/80/03/533788003.db2.gz QNPPOSOFYLGMEY-JTQLQIEISA-N 1 0 312.395 0.021 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCc2nn(C)cc2Br)CCO1 ZINC000263068589 533788492 /nfs/dbraw/zinc/78/84/92/533788492.db2.gz GLRDBGKGACGACZ-QMMMGPOBSA-N 1 0 316.203 0.718 10 30 DCEERO C[C@H]1C[NH+]=C(NCc2cccc(NC(=O)Cn3cccn3)c2)N1 ZINC000262668366 533990253 /nfs/dbraw/zinc/99/02/53/533990253.db2.gz PUDYJEWKETXRJZ-LBPRGKRZSA-N 1 0 312.377 0.959 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCC[S@](=O)Cc2ccccc2)CCO1 ZINC000262432878 534271052 /nfs/dbraw/zinc/27/10/52/534271052.db2.gz FQYDKRDEKZOUMA-ASSNKEHSSA-N 1 0 309.435 0.971 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000425875339 534586931 /nfs/dbraw/zinc/58/69/31/534586931.db2.gz SVWVSUQHTVOKFJ-KKUMJFAQSA-N 1 0 323.437 0.684 10 30 DCEERO [NH2+]=C(NCCc1cccs1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000261981502 534833578 /nfs/dbraw/zinc/83/35/78/534833578.db2.gz ICWQJKRTVLTJLL-JTQLQIEISA-N 1 0 301.437 0.630 10 30 DCEERO C[NH+]=C(NCCN(C)C1CC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261965463 526354169 /nfs/dbraw/zinc/35/41/69/526354169.db2.gz PTBPQGQTNPTSFF-UHFFFAOYSA-N 1 0 323.485 0.987 10 30 DCEERO C=CCOCCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000370588662 526775770 /nfs/dbraw/zinc/77/57/70/526775770.db2.gz LUQCHMRVRJDBSS-OAHLLOKOSA-N 1 0 311.426 0.943 10 30 DCEERO C=CCOCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000374818578 526778045 /nfs/dbraw/zinc/77/80/45/526778045.db2.gz KZSCXVLJSNQGSB-AWEZNQCLSA-N 1 0 311.426 0.989 10 30 DCEERO C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000187933241 527131374 /nfs/dbraw/zinc/13/13/74/527131374.db2.gz OZFYOXIKFWUKCY-ZDUSSCGKSA-N 1 0 315.373 0.800 10 30 DCEERO C=CCc1ccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(OC)c1 ZINC000262076834 527250799 /nfs/dbraw/zinc/25/07/99/527250799.db2.gz CCDFSABKDIKVIJ-UONOGXRCSA-N 1 0 320.389 0.499 10 30 DCEERO C=CCc1ccc(OCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(OC)c1 ZINC000262076835 527251198 /nfs/dbraw/zinc/25/11/98/527251198.db2.gz CCDFSABKDIKVIJ-ZIAGYGMSSA-N 1 0 320.389 0.499 10 30 DCEERO C=CCC[C@@H](O)C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374831504 527456237 /nfs/dbraw/zinc/45/62/37/527456237.db2.gz ZYMSBUPPFYWJEV-CYBMUJFWSA-N 1 0 302.440 0.813 10 30 DCEERO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363624833 528638822 /nfs/dbraw/zinc/63/88/22/528638822.db2.gz NAUFAXPZKXGKMG-QWHCGFSZSA-N 1 0 300.428 0.493 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCOC1)N1CCN(Cc2ccon2)CC1 ZINC000152855815 528811028 /nfs/dbraw/zinc/81/10/28/528811028.db2.gz OVTHCOALTIUTSC-AWEZNQCLSA-N 1 0 321.425 0.794 10 30 DCEERO Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000329614885 546052227 /nfs/dbraw/zinc/05/22/27/546052227.db2.gz DCPKLUHJRQGNDH-UONOGXRCSA-N 1 0 318.425 0.843 10 30 DCEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)Cc1nc2ncccn2n1 ZINC000178456122 660459857 /nfs/dbraw/zinc/45/98/57/660459857.db2.gz ZCFFYOZFBYDBDS-ZDUSSCGKSA-N 1 0 315.377 0.944 10 30 DCEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N1CCC(C(=O)OC)CC1 ZINC000073627995 665626572 /nfs/dbraw/zinc/62/65/72/665626572.db2.gz MGMUCADUSDNMCX-VIFPVBQESA-N 1 0 311.304 0.370 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCCO1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000073776170 666548902 /nfs/dbraw/zinc/54/89/02/666548902.db2.gz OCCSWLRUEIJBNO-KBPBESRZSA-N 1 0 324.425 0.064 10 30 DCEERO C=CCNC(=O)C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000733897202 666824121 /nfs/dbraw/zinc/82/41/21/666824121.db2.gz JGTSJEUUXQWHGN-GOSISDBHSA-N 1 0 317.433 0.905 10 30 DCEERO Cn1cnnc1C[C@@]1(O)CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000886088102 667730890 /nfs/dbraw/zinc/73/08/90/667730890.db2.gz CCXBYQPRSBGLQH-INIZCTEOSA-N 1 0 314.393 0.595 10 30 DCEERO Cc1noc([C@]2(O)CC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000764038124 668432294 /nfs/dbraw/zinc/43/22/94/668432294.db2.gz NASJRLZULGNXFO-HOCLYGCPSA-N 1 0 314.345 0.877 10 30 DCEERO CO[C@]1(C[NH2+]Cc2cc(C#N)cs2)CCS(=O)(=O)C1 ZINC000721203953 685318469 /nfs/dbraw/zinc/31/84/69/685318469.db2.gz FTTQUBODMMWHDE-LBPRGKRZSA-N 1 0 300.405 0.913 10 30 DCEERO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N+]12CCN(CC1)CC2 ZINC000015454168 717111921 /nfs/dbraw/zinc/11/19/21/717111921.db2.gz XMFVCOTWEHGLLZ-LLVKDONJSA-O 1 0 316.385 0.329 10 30 DCEERO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N+]12CCN(CC1)CC2 ZINC000022308188 717113508 /nfs/dbraw/zinc/11/35/08/717113508.db2.gz HCNVSIJUQGPFQN-ZDUSSCGKSA-O 1 0 309.434 0.679 10 30 DCEERO CCc1nc2n(n1)C[C@H](NC(NCc1cccn1C)=[NH+]C)CC2 ZINC000262812458 529751220 /nfs/dbraw/zinc/75/12/20/529751220.db2.gz VOKMCQCXRYZXPZ-GFCCVEGCSA-N 1 0 315.425 0.859 10 30 DCEERO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262094938 282877233 /nfs/dbraw/zinc/87/72/33/282877233.db2.gz HTMRUOIXQYLFGL-SGMGOOAPSA-N 1 0 307.398 0.581 10 30 DCEERO [NH2+]=C(NCCn1c2ccccc2[nH]c1=O)NC[C@@H]1CCCO1 ZINC000175673114 237187980 /nfs/dbraw/zinc/18/79/80/237187980.db2.gz GTXJCPPDQZNNFI-NSHDSACASA-N 1 0 303.366 0.413 10 30 DCEERO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000371020018 532976909 /nfs/dbraw/zinc/97/69/09/532976909.db2.gz SOXWWMJBGQYXMB-HIFRSBDPSA-N 1 0 321.425 0.089 10 30 DCEERO Cc1nc(C[NH3+])cc(N2CCN(c3nccnc3C#N)CC2)n1 ZINC000067654374 396030205 /nfs/dbraw/zinc/03/02/05/396030205.db2.gz ZMRCNVWFIZDHQZ-UHFFFAOYSA-N 1 0 310.365 0.232 10 30 DCEERO C[NH+](C)[C@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000163129160 396085742 /nfs/dbraw/zinc/08/57/42/396085742.db2.gz WYYOCRZKWBPGAJ-AWEZNQCLSA-N 1 0 307.419 0.968 10 30 DCEERO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189806096 396399785 /nfs/dbraw/zinc/39/97/85/396399785.db2.gz YIMGZKJHCBKJIK-UHFFFAOYSA-N 1 0 316.336 0.942 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595769895 396660068 /nfs/dbraw/zinc/66/00/68/396660068.db2.gz VNPJWWUAGUHMBV-UONOGXRCSA-N 1 0 319.409 0.733 10 30 DCEERO C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)CCOCC[NH2+]C)C1 ZINC000629805669 396841928 /nfs/dbraw/zinc/84/19/28/396841928.db2.gz OLSNFJQSTFMAPP-CQSZACIVSA-N 1 0 311.426 0.496 10 30 DCEERO CNC(=O)C[C@]1(O)CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000591644337 396958881 /nfs/dbraw/zinc/95/88/81/396958881.db2.gz CQMQAICTVCQVJV-QGZVFWFLSA-N 1 0 317.389 0.900 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592168077 397111656 /nfs/dbraw/zinc/11/16/56/397111656.db2.gz HCOSEIAGDJRVSJ-KKOKHZNYSA-N 1 0 315.439 0.885 10 30 DCEERO C=CCCn1cc(CN2CC[N@H+](C)C[C@H](C(=O)OC)C2)nn1 ZINC000594012385 397491953 /nfs/dbraw/zinc/49/19/53/397491953.db2.gz KTFZTJINFHSWRJ-ZDUSSCGKSA-N 1 0 307.398 0.391 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CCCF)CC1 ZINC000599671219 397502910 /nfs/dbraw/zinc/50/29/10/397502910.db2.gz OVZGXVLDLKVABF-LBPRGKRZSA-N 1 0 300.378 0.364 10 30 DCEERO C=CCNC(=O)C[N@H+]1CC[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC000602960861 397534831 /nfs/dbraw/zinc/53/48/31/397534831.db2.gz JGNPWCFHPCRQOD-INIZCTEOSA-N 1 0 312.410 0.969 10 30 DCEERO COCCN(CCC#N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610560212 397831676 /nfs/dbraw/zinc/83/16/76/397831676.db2.gz IBJTXDYTYDTLCW-UHFFFAOYSA-N 1 0 308.386 0.839 10 30 DCEERO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000166115770 158366023 /nfs/dbraw/zinc/36/60/23/158366023.db2.gz KXJPOLDRBPRRSF-CYBMUJFWSA-N 1 0 306.391 0.812 10 30 DCEERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000104076323 415621215 /nfs/dbraw/zinc/62/12/15/415621215.db2.gz AFNQXUAJMSLGTN-CHWSQXEVSA-N 1 0 305.382 0.228 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000285745824 415621291 /nfs/dbraw/zinc/62/12/91/415621291.db2.gz ZZBLEJWPIFVURK-UHFFFAOYSA-N 1 0 311.426 0.638 10 30 DCEERO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000111302066 415693398 /nfs/dbraw/zinc/69/33/98/415693398.db2.gz ONYNLPYVNGZHHV-MRXNPFEDSA-N 1 0 322.453 0.935 10 30 DCEERO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892128 415731193 /nfs/dbraw/zinc/73/11/93/415731193.db2.gz IPIROYHHTKRQRY-OLZOCXBDSA-N 1 0 315.439 0.199 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)CC)C1 ZINC000334021422 415785132 /nfs/dbraw/zinc/78/51/32/415785132.db2.gz ZFCRWYMAWXGMGE-VXGBXAGGSA-N 1 0 310.398 0.377 10 30 DCEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000129779303 415911993 /nfs/dbraw/zinc/91/19/93/415911993.db2.gz RQVKHHQMEBUPNM-PWSUYJOCSA-N 1 0 305.382 0.096 10 30 DCEERO C#Cc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000296492686 415930284 /nfs/dbraw/zinc/93/02/84/415930284.db2.gz BFRYIOBFOCQAGW-MRXNPFEDSA-N 1 0 300.406 0.713 10 30 DCEERO CO[C@H]1C[C@@H](CO)N(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000344653013 415966712 /nfs/dbraw/zinc/96/67/12/415966712.db2.gz GJVCKBCMZGJRAN-GJZGRUSLSA-N 1 0 303.362 0.256 10 30 DCEERO CNC(=O)C[NH+]1CCC(CN(C)c2nccnc2C#N)CC1 ZINC000301390950 416083998 /nfs/dbraw/zinc/08/39/98/416083998.db2.gz ZNGRJKWQJXVWGI-UHFFFAOYSA-N 1 0 302.382 0.242 10 30 DCEERO [O-]C(=[NH+][C@H]1COC[C@H]1n1ccnn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000329393334 416167236 /nfs/dbraw/zinc/16/72/36/416167236.db2.gz UQPBEDYPHKMUJD-HZSPNIEDSA-N 1 0 320.397 0.302 10 30 DCEERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(C#N)cn1C ZINC000186036322 416257174 /nfs/dbraw/zinc/25/71/74/416257174.db2.gz RGSYCVUEBAZEBV-ZDUSSCGKSA-N 1 0 303.410 0.653 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCCNC(=O)[C@H]2C)CC1 ZINC000191369898 416286410 /nfs/dbraw/zinc/28/64/10/416286410.db2.gz JDDJSPMEMAEIPV-CYBMUJFWSA-N 1 0 308.426 0.947 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)S(N)(=O)=O)CC1 ZINC000443428567 416758111 /nfs/dbraw/zinc/75/81/11/416758111.db2.gz PIIVIUSCDDHBPB-LLVKDONJSA-N 1 0 318.443 0.003 10 30 DCEERO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000615104715 416761463 /nfs/dbraw/zinc/76/14/63/416761463.db2.gz OFERZWIEFXMYAK-LBPRGKRZSA-N 1 0 320.397 0.391 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632301446 417013284 /nfs/dbraw/zinc/01/32/84/417013284.db2.gz ZUDPDWGJHUOYNF-MCIONIFRSA-N 1 0 318.439 0.218 10 30 DCEERO C=CCNC(=O)c1ccc(NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000389111784 417098017 /nfs/dbraw/zinc/09/80/17/417098017.db2.gz AOBQOCUJWBZJQJ-UHFFFAOYSA-N 1 0 303.362 0.919 10 30 DCEERO C[NH+](C)CCN1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000448601327 417088400 /nfs/dbraw/zinc/08/84/00/417088400.db2.gz RWDAEPVEBGCZQT-UHFFFAOYSA-N 1 0 321.812 0.926 10 30 DCEERO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(C#N)n2C)CC1 ZINC000448976732 417116196 /nfs/dbraw/zinc/11/61/96/417116196.db2.gz VFOYWXZXGAVZNE-ZDUSSCGKSA-N 1 0 303.410 0.653 10 30 DCEERO C=CCN1CC[C@H]([N@@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)C1=O ZINC000451141282 417306415 /nfs/dbraw/zinc/30/64/15/417306415.db2.gz VDDZUELOJYZFGG-OLZOCXBDSA-N 1 0 308.378 0.285 10 30 DCEERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000377917952 276171510 /nfs/dbraw/zinc/17/15/10/276171510.db2.gz SWKIQKTYQDDSSY-HUUCEWRRSA-N 1 0 305.426 0.852 10 30 DCEERO C=CC[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000564979060 332344351 /nfs/dbraw/zinc/34/43/51/332344351.db2.gz QJHLOOPZTQKCOX-GJZGRUSLSA-N 1 0 308.378 0.911 10 30 DCEERO [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@@H]1CCc2ncnn2C1 ZINC000329972547 336101641 /nfs/dbraw/zinc/10/16/41/336101641.db2.gz YDVOMMIVJRMXQB-NWDGAFQWSA-N 1 0 315.381 0.556 10 30 DCEERO C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CC(=O)N(C)C3)CC2)CCO1 ZINC000330136037 336116878 /nfs/dbraw/zinc/11/68/78/336116878.db2.gz NAPONRVAHHCCST-OLZOCXBDSA-N 1 0 324.425 0.316 10 30 DCEERO O=C(NC[C@H](O)CN1CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC000330240977 336128610 /nfs/dbraw/zinc/12/86/10/336128610.db2.gz FMOSFFGTLBONBI-HNNXBMFYSA-N 1 0 311.426 0.510 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000425908846 338018732 /nfs/dbraw/zinc/01/87/32/338018732.db2.gz KPDXEJNCRPYJGK-ZFWWWQNUSA-N 1 0 323.437 0.684 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000174307104 340385602 /nfs/dbraw/zinc/38/56/02/340385602.db2.gz WFAJIAZGELEBSD-HUUCEWRRSA-N 1 0 307.438 0.245 10 30 DCEERO Cc1cnn(C[C@H]2C[N@H+](CCC(=O)N(C)CCC#N)CCO2)c1 ZINC000131525656 341093851 /nfs/dbraw/zinc/09/38/51/341093851.db2.gz ILXWAZOTIUVOCX-OAHLLOKOSA-N 1 0 319.409 0.655 10 30 DCEERO CS(=O)(=O)N[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156436676 525210763 /nfs/dbraw/zinc/21/07/63/525210763.db2.gz HUHJCAWVOSCJBT-CQSZACIVSA-N 1 0 323.418 0.951 10 30 DCEERO C[NH+]=C(NCC(=O)NC(C)(C)C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262494181 526345776 /nfs/dbraw/zinc/34/57/76/526345776.db2.gz VVPLFPMKVNILAM-GFCCVEGCSA-N 1 0 320.441 0.700 10 30 DCEERO C[NH+]=C(NCC(=O)N(C)C)N[C@H](C)[C@H]1COc2ccccc21 ZINC000262250182 526345965 /nfs/dbraw/zinc/34/59/65/526345965.db2.gz BUOMABYVVPUUID-DGCLKSJQSA-N 1 0 304.394 0.804 10 30 DCEERO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H](C)C(C)C ZINC000261688103 526352874 /nfs/dbraw/zinc/35/28/74/526352874.db2.gz RIPQBFHQANDBPX-LBPRGKRZSA-N 1 0 318.487 0.868 10 30 DCEERO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@H](C)C(C)C ZINC000261688098 526353096 /nfs/dbraw/zinc/35/30/96/526353096.db2.gz RIPQBFHQANDBPX-GFCCVEGCSA-N 1 0 318.487 0.868 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261838666 526369933 /nfs/dbraw/zinc/36/99/33/526369933.db2.gz WJOSZZSWXMBLEH-XEZPLFJOSA-N 1 0 308.426 0.325 10 30 DCEERO CNC(=O)CC1CCN(C(NCc2noc(C)n2)=[NH+]C)CC1 ZINC000261729772 526393282 /nfs/dbraw/zinc/39/32/82/526393282.db2.gz JHQXYHBUAZBBOY-UHFFFAOYSA-N 1 0 308.386 0.302 10 30 DCEERO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2C1=O ZINC000261990328 526409858 /nfs/dbraw/zinc/40/98/58/526409858.db2.gz XXSNOXZTYCKCNR-CQSZACIVSA-N 1 0 313.357 0.936 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CC(NC(=O)C3CC3)C2)CC1 ZINC000187040513 526424875 /nfs/dbraw/zinc/42/48/75/526424875.db2.gz VWXIFZDBQLZCTL-UHFFFAOYSA-N 1 0 306.410 0.557 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173934896 527635288 /nfs/dbraw/zinc/63/52/88/527635288.db2.gz ZSMPBFNCAVNLQI-HOTGVXAUSA-N 1 0 307.438 0.982 10 30 DCEERO CC[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000261730788 528819478 /nfs/dbraw/zinc/81/94/78/528819478.db2.gz JLXJDDWIKYZXLQ-IJLUTSLNSA-N 1 0 306.414 0.703 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424545967 660946202 /nfs/dbraw/zinc/94/62/02/660946202.db2.gz MFKGWKKDZSEPRS-XEZPLFJOSA-N 1 0 307.394 0.048 10 30 DCEERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000732155017 664906633 /nfs/dbraw/zinc/90/66/33/664906633.db2.gz XCIFKKYYRIYGOT-ZLUHGAPXSA-N 1 0 320.393 0.503 10 30 DCEERO C[C@H](O)CN1CCN(C(=O)Nc2ccc(C#N)cn2)C[C@H]1C ZINC000889227177 667957063 /nfs/dbraw/zinc/95/70/63/667957063.db2.gz ZPUWHIGQAJUWJG-NEPJUHHUSA-N 1 0 303.366 0.872 10 30 DCEERO Cc1nnc(N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)c(C#N)c1C ZINC000858757495 671038093 /nfs/dbraw/zinc/03/80/93/671038093.db2.gz NIINAPOICBSKDR-KGLIPLIRSA-N 1 0 312.381 0.548 10 30 DCEERO C#CCC[NH+]1CCN(C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000162482740 685139823 /nfs/dbraw/zinc/13/98/23/685139823.db2.gz PUCHRLRZEWTYRC-OAHLLOKOSA-N 1 0 313.467 0.299 10 30 DCEERO CCc1nc(CNC(=[NH+]C)N2CCN(C(C)=O)CC2)cs1 ZINC000262426173 529735612 /nfs/dbraw/zinc/73/56/12/529735612.db2.gz RRFKXRSAQDOXGN-UHFFFAOYSA-N 1 0 309.439 0.945 10 30 DCEERO [NH2+]=C(NCCN1CCc2ccccc2C1=O)N1CCOCC1 ZINC000191733822 283260782 /nfs/dbraw/zinc/26/07/82/283260782.db2.gz SBTXTJQPPFWUQX-UHFFFAOYSA-N 1 0 302.378 0.332 10 30 DCEERO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000262289130 238171540 /nfs/dbraw/zinc/17/15/40/238171540.db2.gz NDDBZTVKJNFBLG-LBPRGKRZSA-N 1 0 317.459 0.056 10 30 DCEERO [NH2+]=C(NCCc1cccs1)NC[C@H]1CCCS1(=O)=O ZINC000262431093 238173350 /nfs/dbraw/zinc/17/33/50/238173350.db2.gz FCGLSDHHEPRDDQ-LLVKDONJSA-N 1 0 301.437 0.772 10 30 DCEERO CN(C)C(=[NH2+])NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000262665329 238178585 /nfs/dbraw/zinc/17/85/85/238178585.db2.gz OMKBVNSFAGHMQS-JTQLQIEISA-N 1 0 316.452 0.635 10 30 DCEERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccccc1C#N ZINC000105932802 194173564 /nfs/dbraw/zinc/17/35/64/194173564.db2.gz HFKZAHYYUVNFHH-JSGCOSHPSA-N 1 0 302.378 0.805 10 30 DCEERO C=CC[C@H](CO)NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000185300171 396324568 /nfs/dbraw/zinc/32/45/68/396324568.db2.gz ZCYRQNLMCCQDKI-HUUCEWRRSA-N 1 0 312.458 0.495 10 30 DCEERO C=C[C@](C)(O)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617696246 396775614 /nfs/dbraw/zinc/77/56/14/396775614.db2.gz DZZNDQZBOLPDET-RDJZCZTQSA-N 1 0 304.390 0.806 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000611886014 396944227 /nfs/dbraw/zinc/94/42/27/396944227.db2.gz QGPOAHIDSGJQEL-ILXRZTDVSA-N 1 0 323.437 0.636 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592183208 397114598 /nfs/dbraw/zinc/11/45/98/397114598.db2.gz SMIUJOKHNSMCLD-ZDUSSCGKSA-N 1 0 324.425 0.183 10 30 DCEERO C[NH2+]CCOCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000599106273 397337768 /nfs/dbraw/zinc/33/77/68/397337768.db2.gz DJSUXBUBJQJJBF-UHFFFAOYSA-N 1 0 317.798 0.726 10 30 DCEERO C=CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CC)CC1 ZINC000289729430 415712823 /nfs/dbraw/zinc/71/28/23/415712823.db2.gz PWVNBPUBLGWTCI-UHFFFAOYSA-N 1 0 306.414 0.744 10 30 DCEERO C=C[C@@](C)(O)CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000354258415 415785170 /nfs/dbraw/zinc/78/51/70/415785170.db2.gz ZTBJOXYRWFRMCZ-NVXWUHKLSA-N 1 0 309.454 0.942 10 30 DCEERO CC[C@@H]1CN(C(=O)c2cc(C#N)cn2C)CC[N@@H+]1C[C@@H](C)O ZINC000176279615 416124542 /nfs/dbraw/zinc/12/45/42/416124542.db2.gz FINBADQCMCUQGQ-TZMCWYRMSA-N 1 0 304.394 0.814 10 30 DCEERO CN1CCO[C@@H]2CCN(C(=O)Nc3ccn(CCC#N)n3)C[C@H]21 ZINC000329040523 416146589 /nfs/dbraw/zinc/14/65/89/416146589.db2.gz SOZZYZDXIHYJLN-CHWSQXEVSA-N 1 0 318.381 0.734 10 30 DCEERO C[C@@H]1C[C@@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C[N@@H+]1C1CC1 ZINC000329099620 416150278 /nfs/dbraw/zinc/15/02/78/416150278.db2.gz ZELYWSHTMFVOMA-MHDGFBEUSA-N 1 0 320.397 0.347 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(C)C(=O)C2)CC1 ZINC000188066453 416263073 /nfs/dbraw/zinc/26/30/73/416263073.db2.gz ZQEYEAVXJKUROW-UHFFFAOYSA-N 1 0 308.426 0.901 10 30 DCEERO C=CC[C@@H](CO)CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000342169880 416288699 /nfs/dbraw/zinc/28/86/99/416288699.db2.gz XXDZOJWPDXIIKI-CQSZACIVSA-N 1 0 318.421 0.748 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000583437455 416465849 /nfs/dbraw/zinc/46/58/49/416465849.db2.gz PHMMSQIUKHWVII-KKUMJFAQSA-N 1 0 311.426 0.940 10 30 DCEERO C=CC[C@H](CO)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000366745159 416635502 /nfs/dbraw/zinc/63/55/02/416635502.db2.gz LZILYKGPLFQHPT-GFCCVEGCSA-N 1 0 307.398 1.208 10 30 DCEERO C=C[C@H](O)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000616295089 417007734 /nfs/dbraw/zinc/00/77/34/417007734.db2.gz MGAJMJHWQHYTJE-HNNXBMFYSA-N 1 0 304.390 0.677 10 30 DCEERO C=C[C@@H](O)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000616295090 417008873 /nfs/dbraw/zinc/00/88/73/417008873.db2.gz MGAJMJHWQHYTJE-OAHLLOKOSA-N 1 0 304.390 0.677 10 30 DCEERO COc1cc(C#N)ccc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000526102456 417182717 /nfs/dbraw/zinc/18/27/17/417182717.db2.gz IVGFBPADXKAATM-UHFFFAOYSA-N 1 0 318.377 0.915 10 30 DCEERO C[C@@H]1CN(C(=O)c2ccc(C#N)n2C)CC[N@@H+]1CC(C)(C)O ZINC000450986945 417292120 /nfs/dbraw/zinc/29/21/20/417292120.db2.gz IVUKRYOZRBTMST-GFCCVEGCSA-N 1 0 304.394 0.814 10 30 DCEERO C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000627412465 417399658 /nfs/dbraw/zinc/39/96/58/417399658.db2.gz MMSZGJHUNZWRLI-NEPJUHHUSA-N 1 0 311.426 0.934 10 30 DCEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475620 417431691 /nfs/dbraw/zinc/43/16/91/417431691.db2.gz QVOONRQEIRKNTB-MCIONIFRSA-N 1 0 309.410 0.342 10 30 DCEERO C[NH+]=C(NC[C@@H](O)C1CCCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000262777341 277751630 /nfs/dbraw/zinc/75/16/30/277751630.db2.gz JVPDJSBTJWLQBO-OAHLLOKOSA-N 1 0 322.453 0.810 10 30 DCEERO CC[NH+]=C(NCC1(O)CCCC1)N[C@H]1CCc2ncnn2C1 ZINC000153408355 278166597 /nfs/dbraw/zinc/16/65/97/278166597.db2.gz YJNLKYMUTQCVCV-LBPRGKRZSA-N 1 0 306.414 0.453 10 30 DCEERO CC[NH+]=C(NC[C@H](C)C(=O)OC)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261691858 280845428 /nfs/dbraw/zinc/84/54/28/280845428.db2.gz FCYANLKVEZBLHP-BLLLJJGKSA-N 1 0 324.425 0.363 10 30 DCEERO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)n1cnc(C#N)n1 ZINC000553115819 288287531 /nfs/dbraw/zinc/28/75/31/288287531.db2.gz DDBYRHLCKOMJDZ-ACJTYDJDSA-N 1 0 302.382 0.794 10 30 DCEERO C=CC[C@@H](CO)C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000519539326 335874969 /nfs/dbraw/zinc/87/49/69/335874969.db2.gz DOVMCQGHLNWNRC-OLZOCXBDSA-N 1 0 309.362 0.929 10 30 DCEERO C[N@@H+]1CC[C@@]2(CCN(C([O-])=[NH+][C@H]3COC[C@H]3n3ccnn3)C2)C1 ZINC000330214677 336124987 /nfs/dbraw/zinc/12/49/87/336124987.db2.gz LWEDWGVFAMIQPA-GZBFAFLISA-N 1 0 320.397 0.160 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418825219 337417083 /nfs/dbraw/zinc/41/70/83/337417083.db2.gz JKACQAFVDKMVOP-DGAVXFQQSA-N 1 0 309.410 0.198 10 30 DCEERO C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@H](O)C(F)(F)F ZINC000262757783 337620995 /nfs/dbraw/zinc/62/09/95/337620995.db2.gz BZDUQUPCIMIIKH-JTQLQIEISA-N 1 0 307.320 0.625 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000425907513 338018723 /nfs/dbraw/zinc/01/87/23/338018723.db2.gz CIMGXDCZCZSQSE-KBPBESRZSA-N 1 0 309.410 0.248 10 30 DCEERO CC[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)CCN1CCOC ZINC000131509645 341092879 /nfs/dbraw/zinc/09/28/79/341092879.db2.gz KZSUXXIFUSLMAG-HNNXBMFYSA-N 1 0 310.442 0.791 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NC[C@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC000262688768 533787727 /nfs/dbraw/zinc/78/77/27/533787727.db2.gz ZPFSHCFIEBNVAA-QWRGUYRKSA-N 1 0 324.347 0.285 10 30 DCEERO Cc1c([C@H]2[C@H](CNC(=[NH2+])N(C)C3CC3)CC(=O)N2C)cnn1C ZINC000262780000 533958858 /nfs/dbraw/zinc/95/88/58/533958858.db2.gz KUTVHZJQYNEHQS-XHDPSFHLSA-N 1 0 318.425 0.657 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCN(CC(F)(F)F)C2)CCO1 ZINC000262475696 534270997 /nfs/dbraw/zinc/27/09/97/534270997.db2.gz QCBSTRNOEFQPLQ-MNOVXSKESA-N 1 0 308.348 0.906 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCC(=O)N2CCc3ccccc32)CCO1 ZINC000262425761 534271161 /nfs/dbraw/zinc/27/11/61/534271161.db2.gz CNLSTCMNBATRFJ-GFCCVEGCSA-N 1 0 302.378 0.611 10 30 DCEERO CNC(NC[C@H]1CCCN(c2nccn3cnnc23)C1)=[NH+]C ZINC000263292929 526344028 /nfs/dbraw/zinc/34/40/28/526344028.db2.gz XDUZNVPWURMIPI-LLVKDONJSA-N 1 0 302.386 0.136 10 30 DCEERO C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@H]1CCC(=O)N(C)C1 ZINC000262802250 526375914 /nfs/dbraw/zinc/37/59/14/526375914.db2.gz RLKBBPDWRLVEGI-KBPBESRZSA-N 1 0 310.442 0.713 10 30 DCEERO CNC(=O)CC1CCN(C(NC[C@H](O)C(F)(F)F)=[NH+]C)CC1 ZINC000261737401 526376034 /nfs/dbraw/zinc/37/60/34/526376034.db2.gz KGAXIKXNWZAHAQ-JTQLQIEISA-N 1 0 324.347 0.333 10 30 DCEERO C[NH+]=C(NC[C@H]1CCCN1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261979009 526377183 /nfs/dbraw/zinc/37/71/83/526377183.db2.gz OMJKBGSYTKEECP-GFCCVEGCSA-N 1 0 316.471 0.165 10 30 DCEERO C[NH+]=C(NCc1c[nH]nc1C)N1CC[C@H](N2CCOCC2)C1 ZINC000262458308 526381275 /nfs/dbraw/zinc/38/12/75/526381275.db2.gz LSFGQVRGAXBCHW-AWEZNQCLSA-N 1 0 306.414 0.200 10 30 DCEERO C[NH+]=C(NCc1cccn1C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261715111 526385556 /nfs/dbraw/zinc/38/55/56/526385556.db2.gz HRHDFXHPDCLMMW-INIZCTEOSA-N 1 0 303.410 0.703 10 30 DCEERO C[NH+]=C(NCc1ccnn1C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261758957 526386368 /nfs/dbraw/zinc/38/63/68/526386368.db2.gz MSMVIZSDGGUYGS-OAHLLOKOSA-N 1 0 304.398 0.098 10 30 DCEERO C[NH+]=C(NCc1ccnn1C)NC[C@]1(N(C)C)CCSC1 ZINC000262791359 526387434 /nfs/dbraw/zinc/38/74/34/526387434.db2.gz OEKJHDFAWCCLGQ-CQSZACIVSA-N 1 0 310.471 0.522 10 30 DCEERO C[NH+]=C(NCc1nccn1C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261695125 526391073 /nfs/dbraw/zinc/39/10/73/526391073.db2.gz FPELJDGAOVQZII-HNNXBMFYSA-N 1 0 304.398 0.098 10 30 DCEERO CNC(=O)CNC(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)=[NH+]C ZINC000261972189 526413286 /nfs/dbraw/zinc/41/32/86/526413286.db2.gz NCXDXZFRXICTOR-CYBMUJFWSA-N 1 0 323.441 0.079 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CCO[C@@]3(CCOC3)C2)CC1 ZINC000184459331 526428361 /nfs/dbraw/zinc/42/83/61/526428361.db2.gz IGJJLACDRHUIOD-INIZCTEOSA-N 1 0 309.410 0.838 10 30 DCEERO C=C(C)CNC(=[NH2+])NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262248025 526575484 /nfs/dbraw/zinc/57/54/84/526575484.db2.gz CSGIAYYAGIFAEN-LBPRGKRZSA-N 1 0 317.459 0.128 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)CC1 ZINC000173972623 526922018 /nfs/dbraw/zinc/92/20/18/526922018.db2.gz JBKJYPKTBKNMBR-WBVHZDCISA-N 1 0 319.449 0.511 10 30 DCEERO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374621979 527026107 /nfs/dbraw/zinc/02/61/07/527026107.db2.gz RQLYNMOCPKEVTQ-KBPBESRZSA-N 1 0 317.389 0.859 10 30 DCEERO CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000185520415 527383135 /nfs/dbraw/zinc/38/31/35/527383135.db2.gz YABMSLHJSNUSGP-ZDUSSCGKSA-N 1 0 320.441 0.652 10 30 DCEERO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CC2(CO)CC2)CC1 ZINC000186795153 528898370 /nfs/dbraw/zinc/89/83/70/528898370.db2.gz VWQYPEVXZXXDJC-HNNXBMFYSA-N 1 0 322.453 0.383 10 30 DCEERO CN(C)c1ncccc1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329348960 546046771 /nfs/dbraw/zinc/04/67/71/546046771.db2.gz DSOZFKOXKUBWRR-AWEZNQCLSA-N 1 0 320.441 0.397 10 30 DCEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C(C)(C)NS(C)(=O)=O ZINC000121671107 667411105 /nfs/dbraw/zinc/41/11/05/667411105.db2.gz XUJLSJKSTYZPRK-GFCCVEGCSA-N 1 0 318.439 0.591 10 30 DCEERO CN1CCO[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262565277 658197896 /nfs/dbraw/zinc/19/78/96/658197896.db2.gz XSDOTIMRFMQLAF-TZMCWYRMSA-N 1 0 304.394 0.745 10 30 DCEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119708331 661300925 /nfs/dbraw/zinc/30/09/25/661300925.db2.gz GLTKFZZMPWTXTH-NWDGAFQWSA-N 1 0 308.403 0.879 10 30 DCEERO C[NH+]=C(NC[C@@H](C)N(C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261994645 661948129 /nfs/dbraw/zinc/94/81/29/661948129.db2.gz SCCKNGWDIFPOHX-LLVKDONJSA-N 1 0 304.460 0.021 10 30 DCEERO C#CCCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000733672852 666795420 /nfs/dbraw/zinc/79/54/20/666795420.db2.gz FFGQEUFKVOAYTJ-UHFFFAOYSA-N 1 0 303.362 0.835 10 30 DCEERO COc1cc(NC(=O)C[N+]23CCN(CC2)CC3)cc(OC)c1 ZINC000021884022 717112782 /nfs/dbraw/zinc/11/27/82/717112782.db2.gz XPCZUQYOSIZBLP-UHFFFAOYSA-O 1 0 306.386 0.788 10 30 DCEERO CCc1ncc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)o1 ZINC000263030788 529751942 /nfs/dbraw/zinc/75/19/42/529751942.db2.gz BFWSXVQVLNBKEY-UHFFFAOYSA-N 1 0 315.381 0.664 10 30 DCEERO CS(=O)(=O)c1ccc(F)c(CNC(=[NH2+])N2CCOCC2)c1 ZINC000261905613 238168039 /nfs/dbraw/zinc/16/80/39/238168039.db2.gz XFHCFWBQWSLHAF-UHFFFAOYSA-N 1 0 315.370 0.376 10 30 DCEERO CN(c1ncnc(N(CC#N)CC#N)c1N)C1CC[NH+](C)CC1 ZINC000040736883 183127217 /nfs/dbraw/zinc/12/72/17/183127217.db2.gz VQRUOBBCZKFIDW-UHFFFAOYSA-N 1 0 314.397 0.443 10 30 DCEERO C=CC[N@@H+]1C[C@H]2CN(C(=O)COC)CCC[C@@]2(C(=O)OCC)C1 ZINC000247838679 257116055 /nfs/dbraw/zinc/11/60/55/257116055.db2.gz NAXJVQVRSQNGLO-WMLDXEAASA-N 1 0 324.421 0.923 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCn3nncc3C2)CC1 ZINC000520425122 396528933 /nfs/dbraw/zinc/52/89/33/396528933.db2.gz LJEMBCIVQVVMBO-UHFFFAOYSA-N 1 0 304.398 0.844 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000595633956 396640977 /nfs/dbraw/zinc/64/09/77/396640977.db2.gz RIYAEFZUNACRCY-FRRDWIJNSA-N 1 0 313.398 0.154 10 30 DCEERO C=CCN(CCOC)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629802140 396840688 /nfs/dbraw/zinc/84/06/88/396840688.db2.gz LOVMPRWNUPSDLG-IYBDPMFKSA-N 1 0 309.410 0.105 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000612004423 396978549 /nfs/dbraw/zinc/97/85/49/396978549.db2.gz UUIBFLWFENQEID-IHRRRGAJSA-N 1 0 323.437 0.683 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000612004104 396978572 /nfs/dbraw/zinc/97/85/72/396978572.db2.gz SFCINDGHROXTAV-KKUMJFAQSA-N 1 0 323.437 0.636 10 30 DCEERO C[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)n1cnc(C#N)n1 ZINC000619613866 397159520 /nfs/dbraw/zinc/15/95/20/397159520.db2.gz KWLDNLFOCPHXGR-GXTWGEPZSA-N 1 0 316.409 0.901 10 30 DCEERO C=CCC1(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)CCOCC1 ZINC000424887617 397403192 /nfs/dbraw/zinc/40/31/92/397403192.db2.gz VBGDKPZOQCTUIE-CQSZACIVSA-N 1 0 324.421 0.923 10 30 DCEERO C=CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000594431915 397548097 /nfs/dbraw/zinc/54/80/97/397548097.db2.gz SKZSJNWHBPLXHT-OLZOCXBDSA-N 1 0 313.423 0.599 10 30 DCEERO N#Cc1cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)ccc1F ZINC000189803370 158556082 /nfs/dbraw/zinc/55/60/82/158556082.db2.gz KBZUAQUDISEBTP-UHFFFAOYSA-N 1 0 316.336 0.942 10 30 DCEERO CS[C@@H]1CN(S(=O)(=O)CCC#N)C[C@H]1[NH+]1CCCC1 ZINC000408461299 286706990 /nfs/dbraw/zinc/70/69/90/286706990.db2.gz UVJGJEGCKYZSLM-VXGBXAGGSA-N 1 0 303.453 0.741 10 30 DCEERO COc1cc(C#N)ccc1S(=O)(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000262111685 158774310 /nfs/dbraw/zinc/77/43/10/158774310.db2.gz USGIEVJRILRGLO-CQSZACIVSA-N 1 0 309.391 0.973 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047970728 415283748 /nfs/dbraw/zinc/28/37/48/415283748.db2.gz DOKMCFCKBIOKJF-UHFFFAOYSA-N 1 0 308.426 0.806 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105882690 415637952 /nfs/dbraw/zinc/63/79/52/415637952.db2.gz ANNMQUXOFLCZGP-LBPRGKRZSA-N 1 0 306.370 0.002 10 30 DCEERO C=CCC[C@@H](O)C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000127439226 415888968 /nfs/dbraw/zinc/88/89/68/415888968.db2.gz ZCBIOAXBVPUCFA-CYBMUJFWSA-N 1 0 302.382 0.573 10 30 DCEERO CC#CCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000135952136 415959624 /nfs/dbraw/zinc/95/96/24/415959624.db2.gz IEQGCDDPHHKUPC-XYPWUTKMSA-N 1 0 304.438 0.962 10 30 DCEERO CC[C@H](CO)[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000173746126 416063320 /nfs/dbraw/zinc/06/33/20/416063320.db2.gz GKUFPWDEKDPHPM-MRXNPFEDSA-N 1 0 316.405 0.885 10 30 DCEERO C=CCn1c([C@H]2COCCO2)nnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000328778447 416132376 /nfs/dbraw/zinc/13/23/76/416132376.db2.gz GFCMCGZTJHSFFD-UONOGXRCSA-N 1 0 319.409 0.836 10 30 DCEERO C=CCNC(=O)c1ccc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)nc1 ZINC000418996519 416395529 /nfs/dbraw/zinc/39/55/29/416395529.db2.gz FIAFARQTFZNOEI-ZIAGYGMSSA-N 1 0 318.421 0.889 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000424536204 416661986 /nfs/dbraw/zinc/66/19/86/416661986.db2.gz BDBHSKBNYXPBKP-KKUMJFAQSA-N 1 0 317.389 0.510 10 30 DCEERO C=C(C)CN(CC)C(=O)CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000531617544 417631355 /nfs/dbraw/zinc/63/13/55/417631355.db2.gz XXUTUPIWQSFEIH-UHFFFAOYSA-N 1 0 324.469 0.507 10 30 DCEERO C=CCn1cc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)nn1 ZINC000628904800 417714201 /nfs/dbraw/zinc/71/42/01/417714201.db2.gz WPZNDWICTYUPFR-UHFFFAOYSA-N 1 0 319.409 0.791 10 30 DCEERO CC[N@H+](CCO)CCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000187330470 261123512 /nfs/dbraw/zinc/12/35/12/261123512.db2.gz FKLXCOXUHWAZJP-UHFFFAOYSA-N 1 0 320.393 0.550 10 30 DCEERO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CNC(=O)C1 ZINC000194804786 261148638 /nfs/dbraw/zinc/14/86/38/261148638.db2.gz XESRSSANJITWMW-OAHLLOKOSA-N 1 0 314.389 0.585 10 30 DCEERO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOCC[C@@H]2C)CC1 ZINC000374992609 276011296 /nfs/dbraw/zinc/01/12/96/276011296.db2.gz ZWAIMXWNVKETNO-HOTGVXAUSA-N 1 0 322.453 0.790 10 30 DCEERO C[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CCCn2nc(C)nc21 ZINC000262354640 277752951 /nfs/dbraw/zinc/75/29/51/277752951.db2.gz FRCJNQLJZQTSDV-SMDDNHRTSA-N 1 0 324.454 0.454 10 30 DCEERO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408048855 278149350 /nfs/dbraw/zinc/14/93/50/278149350.db2.gz RASDKXJGKDAAGI-JHJVBQTASA-N 1 0 306.410 0.771 10 30 DCEERO CC[NH+]=C(NCC1(O)CCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262784041 280836791 /nfs/dbraw/zinc/83/67/91/280836791.db2.gz LVXRGUHBTNEXEU-CQSZACIVSA-N 1 0 310.442 0.273 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000563032766 333093746 /nfs/dbraw/zinc/09/37/46/333093746.db2.gz YWWWCDIIRNXRHG-AJNGGQMLSA-N 1 0 311.426 0.674 10 30 DCEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000563084019 333354686 /nfs/dbraw/zinc/35/46/86/333354686.db2.gz AFRXHTGEZTUEOY-KFWWJZLASA-N 1 0 311.426 0.866 10 30 DCEERO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418828363 337416515 /nfs/dbraw/zinc/41/65/15/337416515.db2.gz MKSPHSPJRBZOHE-BYNSBNAKSA-N 1 0 321.421 0.437 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC)CCC[NH+](C)C ZINC000425898337 338018581 /nfs/dbraw/zinc/01/85/81/338018581.db2.gz LVLOTHPAHFTUGM-KBPBESRZSA-N 1 0 311.426 0.494 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000425908404 338018794 /nfs/dbraw/zinc/01/87/94/338018794.db2.gz HONOHCICDZZXAQ-KKUMJFAQSA-N 1 0 323.437 0.542 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000425910527 338018833 /nfs/dbraw/zinc/01/88/33/338018833.db2.gz WHWJKDCTGMCDLQ-GJZGRUSLSA-N 1 0 323.437 0.494 10 30 DCEERO C=CCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000459911612 339050549 /nfs/dbraw/zinc/05/05/49/339050549.db2.gz VKRLTPWYFIKJGQ-UHFFFAOYSA-N 1 0 318.377 0.383 10 30 DCEERO CC(C)(C)NC(=[NH2+])NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000262547268 526283039 /nfs/dbraw/zinc/28/30/39/526283039.db2.gz VYDZPQMAYMVFPD-UHFFFAOYSA-N 1 0 309.458 0.634 10 30 DCEERO C[NH+]=C(NCCC(=O)OC)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000262018854 526352860 /nfs/dbraw/zinc/35/28/60/526352860.db2.gz VXDGAJIEBCRQEQ-UHFFFAOYSA-N 1 0 312.414 0.456 10 30 DCEERO C[NH+]=C(NCC1CCOCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261792855 526353190 /nfs/dbraw/zinc/35/31/90/526353190.db2.gz QPKROCQDBVSAMJ-MRXNPFEDSA-N 1 0 308.426 0.591 10 30 DCEERO C[NH+]=C(NCc1ccc(O)c(F)c1)N1CCN(C2CC2)C(=O)C1 ZINC000262435437 526382707 /nfs/dbraw/zinc/38/27/07/526382707.db2.gz TUXHVJKVRBAPGI-UHFFFAOYSA-N 1 0 320.368 0.913 10 30 DCEERO C[NH+]=C(NCc1cccn1C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261715115 526384921 /nfs/dbraw/zinc/38/49/21/526384921.db2.gz HRHDFXHPDCLMMW-MRXNPFEDSA-N 1 0 303.410 0.703 10 30 DCEERO C[NH+]=C(NCc1nc(C)no1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262439241 526390557 /nfs/dbraw/zinc/39/05/57/526390557.db2.gz HERTXIBTZFSRBC-LLVKDONJSA-N 1 0 303.370 0.676 10 30 DCEERO C[NH+]=C(NCc1cccc(OC)n1)N1CCO[C@@H](COC)C1 ZINC000261646174 526414596 /nfs/dbraw/zinc/41/45/96/526414596.db2.gz APHXDXKCKSUHMP-CYBMUJFWSA-N 1 0 308.382 0.513 10 30 DCEERO C=C(C)CNC(NCC(=O)N(C)C)=[NH+][C@H]1CCC2(C1)OCCO2 ZINC000262342293 526436110 /nfs/dbraw/zinc/43/61/10/526436110.db2.gz XGZHMVAVNBNNQC-ZDUSSCGKSA-N 1 0 324.425 0.482 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000261650692 526531511 /nfs/dbraw/zinc/53/15/11/526531511.db2.gz FFUNASPKXQGXIQ-UHFFFAOYSA-N 1 0 322.453 0.213 10 30 DCEERO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374621980 527017314 /nfs/dbraw/zinc/01/73/14/527017314.db2.gz RQLYNMOCPKEVTQ-KGLIPLIRSA-N 1 0 317.389 0.859 10 30 DCEERO C=CC[C@@H](CO)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000358998159 527089301 /nfs/dbraw/zinc/08/93/01/527089301.db2.gz WHWHDOMPPLBCMV-AWEZNQCLSA-N 1 0 311.426 0.868 10 30 DCEERO CC[NH+]=C(NCCN1CCC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000262045362 528805486 /nfs/dbraw/zinc/80/54/86/528805486.db2.gz YWIXMSKUCSGSAG-UHFFFAOYSA-N 1 0 323.485 0.989 10 30 DCEERO C=CCCn1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)nn1 ZINC000615275076 546317725 /nfs/dbraw/zinc/31/77/25/546317725.db2.gz LEHWUJWLVBEOJT-LSDHHAIUSA-N 1 0 319.409 0.789 10 30 DCEERO O=C(C[N+]12CCN(CC1)CC2)NC(=O)NCCc1cccs1 ZINC000029223719 717116710 /nfs/dbraw/zinc/11/67/10/717116710.db2.gz PSVOZDHYWHVGLJ-UHFFFAOYSA-O 1 0 323.442 0.262 10 30 DCEERO CON=Cc1ccc(C(=O)N2CCN(C[C@H](C)O)CC2)cc1 ZINC000588529651 747408802 /nfs/dbraw/zinc/40/88/02/747408802.db2.gz QGJPHNPFXHUXFC-ZDUSSCGKSA-N 1 0 305.378 0.806 10 30 DCEERO CC[C@H](C)NC(=[NH2+])NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262326498 529695065 /nfs/dbraw/zinc/69/50/65/529695065.db2.gz XDXIAXOHFCVVFH-NWDGAFQWSA-N 1 0 319.475 0.350 10 30 DCEERO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])N1CCSCC1 ZINC000262420474 238173724 /nfs/dbraw/zinc/17/37/24/238173724.db2.gz BEIKDBXBTIVRPY-WCQYABFASA-N 1 0 309.439 0.861 10 30 DCEERO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175990045 396147912 /nfs/dbraw/zinc/14/79/12/396147912.db2.gz ZCQDGJQGWMSXMW-LBPRGKRZSA-N 1 0 304.325 0.846 10 30 DCEERO C#Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000177675227 396181316 /nfs/dbraw/zinc/18/13/16/396181316.db2.gz PPDFEJUKXMVMHL-OAHLLOKOSA-N 1 0 315.373 0.395 10 30 DCEERO C=CC1CCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000581613881 396569395 /nfs/dbraw/zinc/56/93/95/396569395.db2.gz ZRVFHCKEWUTJBD-UHFFFAOYSA-N 1 0 323.437 0.638 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000595848449 396669829 /nfs/dbraw/zinc/66/98/29/396669829.db2.gz AYEVEILIFGPPJE-GFCCVEGCSA-N 1 0 310.398 0.235 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000611648967 396902458 /nfs/dbraw/zinc/90/24/58/396902458.db2.gz LMPPJXPAOYDGLF-JSGCOSHPSA-N 1 0 309.410 0.294 10 30 DCEERO C=CC[C@H]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000625701857 396982393 /nfs/dbraw/zinc/98/23/93/396982393.db2.gz LUAJQVSEHYBGPB-JTQLQIEISA-N 1 0 303.366 0.358 10 30 DCEERO N#Cc1ccnc(C(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)c1 ZINC000591693549 396978413 /nfs/dbraw/zinc/97/84/13/396978413.db2.gz MEORIZOSGVKLEL-GUTXKFCHSA-N 1 0 300.362 0.671 10 30 DCEERO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000591693417 396978560 /nfs/dbraw/zinc/97/85/60/396978560.db2.gz KLVJTXDIJDRLOF-CFVMTHIKSA-N 1 0 302.378 0.912 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612389315 397042466 /nfs/dbraw/zinc/04/24/66/397042466.db2.gz QQKWTQHNDZZXHW-HOTGVXAUSA-N 1 0 323.437 0.827 10 30 DCEERO C=CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000594431917 397548280 /nfs/dbraw/zinc/54/82/80/397548280.db2.gz SKZSJNWHBPLXHT-STQMWFEESA-N 1 0 313.423 0.599 10 30 DCEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000372587715 287230452 /nfs/dbraw/zinc/23/04/52/287230452.db2.gz RIGNXFNBUFJSSF-MJBXVCDLSA-N 1 0 314.455 0.881 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCc3nc(CC)nn3C2)CC1 ZINC000114866950 415719049 /nfs/dbraw/zinc/71/90/49/415719049.db2.gz RULWPPDMKJZGBU-CQSZACIVSA-N 1 0 315.421 0.617 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N[C@H]2CCc3nc(CC)nn3C2)CC1 ZINC000114866952 415725186 /nfs/dbraw/zinc/72/51/86/415725186.db2.gz RULWPPDMKJZGBU-AWEZNQCLSA-N 1 0 315.421 0.617 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCCO2)CC1 ZINC000343892228 415769947 /nfs/dbraw/zinc/76/99/47/415769947.db2.gz OUMZWXIOOHEDCL-OAHLLOKOSA-N 1 0 323.437 0.781 10 30 DCEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@@H](O)C(N)=O)CC1 ZINC000299749953 416064779 /nfs/dbraw/zinc/06/47/79/416064779.db2.gz MFFXKKIGXDRBNW-GXTWGEPZSA-N 1 0 311.426 0.358 10 30 DCEERO C[C@@H]1CN(C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)CCO1 ZINC000179192712 416184552 /nfs/dbraw/zinc/18/45/52/416184552.db2.gz PXFLQZOUSFETRX-OAHLLOKOSA-N 1 0 322.453 0.934 10 30 DCEERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329250502 416158471 /nfs/dbraw/zinc/15/84/71/416158471.db2.gz BARHWLURQLEFJL-XJFOESAGSA-N 1 0 322.413 0.404 10 30 DCEERO C=CC[C@H](CO)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000342171738 416290336 /nfs/dbraw/zinc/29/03/36/416290336.db2.gz AKXFGKWRZUTRIK-AWEZNQCLSA-N 1 0 318.421 0.748 10 30 DCEERO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247385117 416332768 /nfs/dbraw/zinc/33/27/68/416332768.db2.gz WIXNZZQMFCUQGC-HUUCEWRRSA-N 1 0 318.425 0.998 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000424551621 416663533 /nfs/dbraw/zinc/66/35/33/416663533.db2.gz WLUKTAVOECPKLU-MJBXVCDLSA-N 1 0 311.426 0.526 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000612659468 416671486 /nfs/dbraw/zinc/67/14/86/416671486.db2.gz PCBPFLSBPGHUBP-HUUCEWRRSA-N 1 0 311.426 0.420 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631947107 416824839 /nfs/dbraw/zinc/82/48/39/416824839.db2.gz UXIAGUMGFCBEDX-AAEUAGOBSA-N 1 0 303.428 0.096 10 30 DCEERO C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000624415752 417036750 /nfs/dbraw/zinc/03/67/50/417036750.db2.gz YFFLZCMSNJLHTR-SMDDNHRTSA-N 1 0 323.418 0.631 10 30 DCEERO C=CCOCCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627012201 417205876 /nfs/dbraw/zinc/20/58/76/417205876.db2.gz UTLFWNZRKFNSAO-HNNXBMFYSA-N 1 0 311.426 0.989 10 30 DCEERO C=CCN1CC[C@@H]([N@@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)C1=O ZINC000451141281 417307052 /nfs/dbraw/zinc/30/70/52/417307052.db2.gz VDDZUELOJYZFGG-CHWSQXEVSA-N 1 0 308.378 0.285 10 30 DCEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475622 417431797 /nfs/dbraw/zinc/43/17/97/417431797.db2.gz QVOONRQEIRKNTB-RDBSUJKOSA-N 1 0 309.410 0.342 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628121860 417575219 /nfs/dbraw/zinc/57/52/19/417575219.db2.gz ZEYASAUIGYLYQU-MRXNPFEDSA-N 1 0 323.437 0.781 10 30 DCEERO C=CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000635402207 417652022 /nfs/dbraw/zinc/65/20/22/417652022.db2.gz OARYCSKHVKITGR-QWHCGFSZSA-N 1 0 300.424 0.530 10 30 DCEERO C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)n1cnc(C#N)n1 ZINC000546255954 288017595 /nfs/dbraw/zinc/01/75/95/288017595.db2.gz XTFOSMAEBXDTIS-AGIUHOORSA-N 1 0 302.382 0.653 10 30 DCEERO CC[NH+]=C(NCC1CCOCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261790590 278166515 /nfs/dbraw/zinc/16/65/15/278166515.db2.gz QGYURMZOKOFSDX-QGZVFWFLSA-N 1 0 322.453 0.981 10 30 DCEERO CC[NH+]=C(NCc1nc(C)no1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261807412 280843241 /nfs/dbraw/zinc/84/32/41/280843241.db2.gz SDZCKAQMBVYVJM-OAHLLOKOSA-N 1 0 320.397 0.446 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000425882941 334257936 /nfs/dbraw/zinc/25/79/36/334257936.db2.gz ISRPXGDLGORJNI-STQMWFEESA-N 1 0 309.410 0.294 10 30 DCEERO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCCC[NH3+] ZINC000419831161 337492666 /nfs/dbraw/zinc/49/26/66/337492666.db2.gz GXQKKIXRGYLLOC-UHFFFAOYSA-N 1 0 305.378 0.675 10 30 DCEERO C[NH+]=C(NCC1(O)CCC1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000262756823 337621001 /nfs/dbraw/zinc/62/10/01/337621001.db2.gz BSKWZNJORNYUBY-ZDUSSCGKSA-N 1 0 318.425 0.525 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)CCCC ZINC000425891571 338018430 /nfs/dbraw/zinc/01/84/30/338018430.db2.gz YQBYXMIUMUEVQC-KBPBESRZSA-N 1 0 311.426 0.542 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCCN2c3ccccc3CC2=O)CCO1 ZINC000262474052 533787636 /nfs/dbraw/zinc/78/76/36/533787636.db2.gz POZHFFAOFSGOHS-LBPRGKRZSA-N 1 0 302.378 0.611 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCCn2c3ccccc3[nH]c2=O)CCO1 ZINC000262445984 534271153 /nfs/dbraw/zinc/27/11/53/534271153.db2.gz IQBQGPCTHOQPIY-LLVKDONJSA-N 1 0 303.366 0.365 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000262492386 534271280 /nfs/dbraw/zinc/27/12/80/534271280.db2.gz VJBUYIBZWAQUKN-RDBSUJKOSA-N 1 0 312.458 0.910 10 30 DCEERO NC(=O)c1cnn2c1C[C@@H](CNC(=[NH2+])NC1CCCCC1)CC2 ZINC000261935092 534511757 /nfs/dbraw/zinc/51/17/57/534511757.db2.gz LVQMPEBQBQQINZ-NSHDSACASA-N 1 0 318.425 0.781 10 30 DCEERO C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262373091 526346798 /nfs/dbraw/zinc/34/67/98/526346798.db2.gz FRBLMQGOCORAJV-CYZMBNFOSA-N 1 0 310.442 0.880 10 30 DCEERO CNC(=O)CNC(N[C@@H]1CCN(c2ncccc2Cl)C1)=[NH+]C ZINC000262015409 526347904 /nfs/dbraw/zinc/34/79/04/526347904.db2.gz XPSDNWHVAWRRJL-SNVBAGLBSA-N 1 0 324.816 0.225 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCCCO1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261853882 526370626 /nfs/dbraw/zinc/37/06/26/526370626.db2.gz YKQQJDFZHXCVME-BBRMVZONSA-N 1 0 308.426 0.733 10 30 DCEERO C[NH+]=C(N[C@H]1CC1(C)C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261840975 526396021 /nfs/dbraw/zinc/39/60/21/526396021.db2.gz WFNWTWHVQDOASS-LBPRGKRZSA-N 1 0 304.398 0.443 10 30 DCEERO C[NH+]=C(NCc1nnc2ccccn21)N1CC[C@@H](COC)C1 ZINC000262505440 526415393 /nfs/dbraw/zinc/41/53/93/526415393.db2.gz ZUAKHPPPJPTCBF-GFCCVEGCSA-N 1 0 302.382 0.773 10 30 DCEERO C#CCC(CC#C)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000376732692 526671893 /nfs/dbraw/zinc/67/18/93/526671893.db2.gz FFLWQBJDBPEEGN-KRWDZBQOSA-N 1 0 301.434 0.888 10 30 DCEERO C=C(C)CS(=O)(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000184422989 526677158 /nfs/dbraw/zinc/67/71/58/526677158.db2.gz BWYZLAOKBBQENN-HNNXBMFYSA-N 1 0 315.483 0.994 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000172750157 526922269 /nfs/dbraw/zinc/92/22/69/526922269.db2.gz RDHSCDCRTDHZHN-MRXNPFEDSA-N 1 0 305.422 0.265 10 30 DCEERO C#C[C@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000186028274 527340088 /nfs/dbraw/zinc/34/00/88/527340088.db2.gz DJFWTCWCMHJHTR-LSVZVQIISA-N 1 0 304.438 0.961 10 30 DCEERO C=CCCOCCNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000356994018 527340471 /nfs/dbraw/zinc/34/04/71/527340471.db2.gz WXYCVQFRVNDJKV-GOOCMWNKSA-N 1 0 323.437 0.827 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247088091 527633848 /nfs/dbraw/zinc/63/38/48/527633848.db2.gz HKNUTQUQEKDJOE-PMPSAXMXSA-N 1 0 309.454 0.962 10 30 DCEERO CC[NH+]=C(NCCc1c(C)noc1C)N[C@H]1CCC(=O)NC1 ZINC000262829965 528806099 /nfs/dbraw/zinc/80/60/99/528806099.db2.gz ZOJZXYLPWRLCNE-LBPRGKRZSA-N 1 0 307.398 0.668 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000152088126 528809344 /nfs/dbraw/zinc/80/93/44/528809344.db2.gz ULMFGJCHAVDVNS-MJBXVCDLSA-N 1 0 320.441 0.617 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCN(C(=O)C(C)C)CC1 ZINC000262764252 528809702 /nfs/dbraw/zinc/80/97/02/528809702.db2.gz FHNCTPNOJBOIFK-GJZGRUSLSA-N 1 0 324.469 0.913 10 30 DCEERO CC[NH+]=C(NC[C@H]1CCCO1)N1CCN(Cc2ccon2)CC1 ZINC000261687543 528814494 /nfs/dbraw/zinc/81/44/94/528814494.db2.gz DROWBRUSPLHOEY-OAHLLOKOSA-N 1 0 321.425 0.937 10 30 DCEERO CC[NH+]=C(NC[C@](C)(O)CC)N1CCN(C(=O)C(C)C)CC1 ZINC000262288859 528814801 /nfs/dbraw/zinc/81/48/01/528814801.db2.gz YDUVADZFBICJRJ-MRXNPFEDSA-N 1 0 312.458 0.913 10 30 DCEERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC(=O)NC2=O)C1 ZINC000328634404 546037932 /nfs/dbraw/zinc/03/79/32/546037932.db2.gz BJNOBPYNHNWBJW-NSHDSACASA-N 1 0 312.370 0.692 10 30 DCEERO Cn1cc([C@H]2CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000329499184 546050345 /nfs/dbraw/zinc/05/03/45/546050345.db2.gz XZWPHUYMNAZNQC-HUUCEWRRSA-N 1 0 320.441 0.717 10 30 DCEERO CCNC(=O)COc1ccc(CNC(=[NH2+])NC2CC2)cc1OC ZINC000161510973 658832161 /nfs/dbraw/zinc/83/21/61/658832161.db2.gz DBQZKZUIGMQQTM-UHFFFAOYSA-N 1 0 320.393 0.777 10 30 DCEERO CC(C)(C)OC(=O)CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000178569658 661320936 /nfs/dbraw/zinc/32/09/36/661320936.db2.gz UDENSZBCRZNGDV-UHFFFAOYSA-N 1 0 314.430 0.345 10 30 DCEERO C[NH+]=C(NCC1(O)CCCCC1)N[C@H]1CCc2ncnn2C1 ZINC000262817415 662586365 /nfs/dbraw/zinc/58/63/65/662586365.db2.gz XAZGYKSTTMLDTA-LBPRGKRZSA-N 1 0 306.414 0.453 10 30 DCEERO CS(=O)(=O)N1CCC[C@@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000133938584 667493248 /nfs/dbraw/zinc/49/32/48/667493248.db2.gz QRZNZBIXUSIVJX-GFCCVEGCSA-N 1 0 302.444 0.647 10 30 DCEERO C=CCC1(O)CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000717450497 667826371 /nfs/dbraw/zinc/82/63/71/667826371.db2.gz WXKCVODNFRHWGS-ZDUSSCGKSA-N 1 0 302.440 0.671 10 30 DCEERO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])NCCc2cccs2)O1 ZINC000305765960 685217115 /nfs/dbraw/zinc/21/71/15/685217115.db2.gz HHQBXAAEAPUAHB-AAEUAGOBSA-N 1 0 324.450 0.831 10 30 DCEERO CN1c2ccc(C(=O)C[N+]34CCN(CC3)CC4)cc2CCC1=O ZINC000133144845 717150686 /nfs/dbraw/zinc/15/06/86/717150686.db2.gz ADKSKUFRBBRZBL-UHFFFAOYSA-N 1 0 314.409 0.924 10 30 DCEERO CN(CCC#N)S(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261943009 529868803 /nfs/dbraw/zinc/86/88/03/529868803.db2.gz DZGNDCCETKGOHR-UHFFFAOYSA-N 1 0 310.423 0.580 10 30 DCEERO CN(C)C(=O)CNC(N[C@@H]1CCC(=O)N(C)C1)=[NH+]C1CCCC1 ZINC000262241612 238171004 /nfs/dbraw/zinc/17/10/04/238171004.db2.gz ADMPXWSCNBSHQV-CYBMUJFWSA-N 1 0 323.441 0.173 10 30 DCEERO C[C@@H](C[S@@](C)=O)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000168869431 291249407 /nfs/dbraw/zinc/24/94/07/291249407.db2.gz FOGLTGCAMVUOSQ-WLRWDXFRSA-N 1 0 314.432 0.689 10 30 DCEERO C=CCCS(=O)(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000420454667 240034353 /nfs/dbraw/zinc/03/43/53/240034353.db2.gz DJLMVCHJYJYGTL-UHFFFAOYSA-N 1 0 301.456 0.698 10 30 DCEERO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)NC(N)=O)CC2)cc1 ZINC000022850592 182336836 /nfs/dbraw/zinc/33/68/36/182336836.db2.gz BUZTUMOWHRTEFB-UHFFFAOYSA-N 1 0 315.377 0.261 10 30 DCEERO Cc1c(C(=O)N2CCOCC2)oc2c1C(=NNC(N)=[NH2+])CCC2 ZINC000040824844 183137321 /nfs/dbraw/zinc/13/73/21/183137321.db2.gz ZRRHPAYAJANUPY-VCHYOVAHSA-N 1 0 319.365 0.584 10 30 DCEERO COCCC[N@H+](C)CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369792701 533279407 /nfs/dbraw/zinc/27/94/07/533279407.db2.gz VSIPTHWYJOHKNR-OAHLLOKOSA-N 1 0 323.441 0.336 10 30 DCEERO N#Cc1cc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)ccn1 ZINC000193602911 395773531 /nfs/dbraw/zinc/77/35/31/395773531.db2.gz SHBHPNPQGZEISV-OAHLLOKOSA-N 1 0 302.378 0.920 10 30 DCEERO N#Cc1ccc(Cl)cc1NC(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000179169331 396222679 /nfs/dbraw/zinc/22/26/79/396222679.db2.gz XYRQRVKRBXVIPZ-VXGBXAGGSA-N 1 0 309.753 0.578 10 30 DCEERO C=CC[C@@H](CO)NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000185300155 396324701 /nfs/dbraw/zinc/32/47/01/396324701.db2.gz ZCYRQNLMCCQDKI-GJZGRUSLSA-N 1 0 312.458 0.495 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595769893 396660556 /nfs/dbraw/zinc/66/05/56/396660556.db2.gz VNPJWWUAGUHMBV-KBPBESRZSA-N 1 0 319.409 0.733 10 30 DCEERO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC(CO)C2)CCC[N@@H+]1C ZINC000329515049 396844996 /nfs/dbraw/zinc/84/49/96/396844996.db2.gz OIHIOWDQSZSQCA-DZGCQCFKSA-N 1 0 321.425 0.641 10 30 DCEERO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000363470692 298277557 /nfs/dbraw/zinc/27/75/57/298277557.db2.gz KFOYGQHNDNVRLU-JHJVBQTASA-N 1 0 300.428 0.634 10 30 DCEERO C=CC[NH+](CC=C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000072938930 415418408 /nfs/dbraw/zinc/41/84/08/415418408.db2.gz QXDIRFINTDGWKG-UHFFFAOYSA-N 1 0 317.393 0.498 10 30 DCEERO C#CCNC(=O)[C@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865845 415634815 /nfs/dbraw/zinc/63/48/15/415634815.db2.gz XVEWPSXWNHXQAE-HNNXBMFYSA-N 1 0 317.437 0.292 10 30 DCEERO C=CCCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000289376704 415703980 /nfs/dbraw/zinc/70/39/80/415703980.db2.gz KCPOJYVZIPLIBD-KGLIPLIRSA-N 1 0 311.426 0.636 10 30 DCEERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)[C@@H](C)CC#N)C1 ZINC000129591111 415908487 /nfs/dbraw/zinc/90/84/87/415908487.db2.gz JBAWQJIUMZLKFO-GJZGRUSLSA-N 1 0 310.442 0.693 10 30 DCEERO C=CCN1CC[C@H]([NH+]2CCC(OCCC(=O)NC)CC2)C1=O ZINC000337200594 415926613 /nfs/dbraw/zinc/92/66/13/415926613.db2.gz ZTHSGWJROLLPAM-AWEZNQCLSA-N 1 0 309.410 0.390 10 30 DCEERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000131436295 415931098 /nfs/dbraw/zinc/93/10/98/415931098.db2.gz ICPRJZFMZZXELA-GFCCVEGCSA-N 1 0 319.409 0.488 10 30 DCEERO CCC[NH+]1CCC(CNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000301083644 416074424 /nfs/dbraw/zinc/07/44/24/416074424.db2.gz DUAHGMOYBDKNLJ-UHFFFAOYSA-N 1 0 319.409 0.490 10 30 DCEERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCc3c(ncn(C)c3=O)C2)C1 ZINC000330109334 416196525 /nfs/dbraw/zinc/19/65/25/416196525.db2.gz OZLNDIBZYKPFGN-LBPRGKRZSA-N 1 0 319.409 0.537 10 30 DCEERO C=CC[C@H](CO)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000341440925 416210094 /nfs/dbraw/zinc/21/00/94/416210094.db2.gz LQUIMWNYTDUSDC-KFWWJZLASA-N 1 0 311.426 0.600 10 30 DCEERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cn1cnc(C#N)n1 ZINC000178443099 416162490 /nfs/dbraw/zinc/16/24/90/416162490.db2.gz QMZBIONNACFCKC-AWEZNQCLSA-N 1 0 312.377 0.439 10 30 DCEERO C=CC[C@H](CO)CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000342169879 416288419 /nfs/dbraw/zinc/28/84/19/416288419.db2.gz XXDZOJWPDXIIKI-AWEZNQCLSA-N 1 0 318.421 0.748 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)CC1 ZINC000246874108 416332326 /nfs/dbraw/zinc/33/23/26/416332326.db2.gz WFAJIAZGELEBSD-CABCVRRESA-N 1 0 307.438 0.245 10 30 DCEERO C=CCC[C@H](CO)NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418664006 416388612 /nfs/dbraw/zinc/38/86/12/416388612.db2.gz AJYVZQDXWAEKRM-HWOWSKLDSA-N 1 0 324.469 0.829 10 30 DCEERO C=CCCS(=O)(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000370495174 416896324 /nfs/dbraw/zinc/89/63/24/416896324.db2.gz RJHNGHRLOAUYFK-HNNXBMFYSA-N 1 0 315.483 0.994 10 30 DCEERO C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632301447 417012728 /nfs/dbraw/zinc/01/27/28/417012728.db2.gz ZUDPDWGJHUOYNF-MJBXVCDLSA-N 1 0 318.439 0.218 10 30 DCEERO C=CCCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000448370823 417071647 /nfs/dbraw/zinc/07/16/47/417071647.db2.gz APFSZVBKCBGGDI-UHFFFAOYSA-N 1 0 319.409 1.171 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621847664 417321891 /nfs/dbraw/zinc/32/18/91/417321891.db2.gz HPMSIFSZZQCZDR-WFGGJUAMSA-N 1 0 307.394 0.034 10 30 DCEERO CC[C@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000156549608 276643713 /nfs/dbraw/zinc/64/37/13/276643713.db2.gz FIIWPZGMPPJQNQ-IRXDYDNUSA-N 1 0 303.406 0.980 10 30 DCEERO C[NH+]=C(NCc1nccs1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261719467 276844888 /nfs/dbraw/zinc/84/48/88/276844888.db2.gz IEJQECXVOXBWOR-AWEZNQCLSA-N 1 0 307.423 0.821 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000369121595 289238582 /nfs/dbraw/zinc/23/85/82/289238582.db2.gz HOSXIMRXHBKBTG-JHJVBQTASA-N 1 0 300.428 0.349 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000425887750 338018413 /nfs/dbraw/zinc/01/84/13/338018413.db2.gz RXPHMXMOFUHYAC-OBJOEFQTSA-N 1 0 307.394 0.047 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000174307118 340385640 /nfs/dbraw/zinc/38/56/40/340385640.db2.gz WFAJIAZGELEBSD-LSDHHAIUSA-N 1 0 307.438 0.245 10 30 DCEERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC000248618394 341381777 /nfs/dbraw/zinc/38/17/77/341381777.db2.gz SGRIUNRUIWKPLH-YNEHKIRRSA-N 1 0 322.409 0.861 10 30 DCEERO C=CCn1cc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC000567675568 341626784 /nfs/dbraw/zinc/62/67/84/341626784.db2.gz PWYKPNNLLGQYHW-ONXXMXGDSA-N 1 0 304.398 0.889 10 30 DCEERO C[C@H]1C[NH+]=C(NC[C@@H]2CCCN(c3nccn4cnnc34)C2)N1 ZINC000262654286 533989532 /nfs/dbraw/zinc/98/95/32/533989532.db2.gz LDOIISAMXOJPEC-RYUDHWBXSA-N 1 0 314.397 0.278 10 30 DCEERO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000420419387 534865662 /nfs/dbraw/zinc/86/56/62/534865662.db2.gz DGBJDYVNEBMLES-FZMZJTMJSA-N 1 0 323.418 0.713 10 30 DCEERO C[NH+]=C(NCCn1cc(C)cn1)NCc1nnc2ccccn21 ZINC000262480319 526366895 /nfs/dbraw/zinc/36/68/95/526366895.db2.gz UIASQOZYDBLNLU-UHFFFAOYSA-N 1 0 312.381 0.599 10 30 DCEERO C[NH+]=C(NC[C@H]1CN(C)CCO1)N1CCC(OCC2CC2)CC1 ZINC000261825767 526378857 /nfs/dbraw/zinc/37/88/57/526378857.db2.gz UZGNNDKZVZOGJQ-INIZCTEOSA-N 1 0 324.469 0.783 10 30 DCEERO C[NH+]=C(NCc1cc(C)no1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261834202 526381361 /nfs/dbraw/zinc/38/13/61/526381361.db2.gz VWLUNXSHVOCTKW-HNNXBMFYSA-N 1 0 305.382 0.661 10 30 DCEERO C[NH+]=C(NCc1cnc(C)s1)N1CC[C@H](N2CCOCC2)C1 ZINC000262431092 526389374 /nfs/dbraw/zinc/38/93/74/526389374.db2.gz FCBQYLGSTNFFCR-ZDUSSCGKSA-N 1 0 323.466 0.933 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCN(C2CC2)C(=O)C1 ZINC000262451225 526395033 /nfs/dbraw/zinc/39/50/33/526395033.db2.gz VZVKLJNUCYSDDN-CFVMTHIKSA-N 1 0 320.437 0.682 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368634149 526593965 /nfs/dbraw/zinc/59/39/65/526593965.db2.gz UHVSTPYKLRRESU-CQSZACIVSA-N 1 0 302.378 0.958 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246318600 526610850 /nfs/dbraw/zinc/61/08/50/526610850.db2.gz CWOHDQYPTVDCTI-MELADBBJSA-N 1 0 324.425 0.039 10 30 DCEERO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247014584 527015766 /nfs/dbraw/zinc/01/57/66/527015766.db2.gz CHRMPESWBLDJHF-KGLIPLIRSA-N 1 0 301.394 0.515 10 30 DCEERO C=CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000248534221 527204097 /nfs/dbraw/zinc/20/40/97/527204097.db2.gz ZPEPUPDSVMXQAX-RBSFLKMASA-N 1 0 323.437 0.372 10 30 DCEERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000086446515 528227593 /nfs/dbraw/zinc/22/75/93/528227593.db2.gz YJOZAIXLDFLBGC-LBPRGKRZSA-N 1 0 320.397 0.582 10 30 DCEERO CC(=O)N1CSC[C@@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000354884065 666588142 /nfs/dbraw/zinc/58/81/42/666588142.db2.gz LODAGGHNGIDTLF-CYBMUJFWSA-N 1 0 312.439 0.602 10 30 DCEERO COc1ccc(CCNC(=[NH2+])NC[C@@]2(CCO)CCOC2)cc1 ZINC000124028090 667886189 /nfs/dbraw/zinc/88/61/89/667886189.db2.gz CJRDDLGKZUROBX-QGZVFWFLSA-N 1 0 321.421 0.931 10 30 DCEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192579501 670183927 /nfs/dbraw/zinc/18/39/27/670183927.db2.gz XBTIWBJXCCKOBN-QWRGUYRKSA-N 1 0 309.391 0.123 10 30 DCEERO C[NH+]=C(NCCN1CCOCC1)NCc1cccnc1N(C)C ZINC000303909362 685208705 /nfs/dbraw/zinc/20/87/05/685208705.db2.gz YDJFRZWKQZZMGY-UHFFFAOYSA-N 1 0 320.441 0.145 10 30 DCEERO COc1cccc(CNC(=[NH2+])NCCCN2CCOCC2)n1 ZINC000303979978 685209548 /nfs/dbraw/zinc/20/95/48/685209548.db2.gz NRQDGVZIBXLFHN-UHFFFAOYSA-N 1 0 307.398 0.217 10 30 DCEERO COc1ccc(NC(=O)C[N+]23CCN(CC2)CC3)c([N+](=O)[O-])c1 ZINC000007612875 717104780 /nfs/dbraw/zinc/10/47/80/717104780.db2.gz KHDBGLBXOLVRRK-UHFFFAOYSA-O 1 0 321.357 0.688 10 30 DCEERO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N+]23CCN(CC2)CC3)c1 ZINC000029226241 717117173 /nfs/dbraw/zinc/11/71/73/717117173.db2.gz PZEJMONCNOKONZ-CYBMUJFWSA-O 1 0 317.413 0.519 10 30 DCEERO CNC(=[NH2+])NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000262093783 530039534 /nfs/dbraw/zinc/03/95/34/530039534.db2.gz HMJHCVGZLVIYRE-VIFPVBQESA-N 1 0 302.425 0.293 10 30 DCEERO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)CCC#N)CC1 ZINC000408456364 530053260 /nfs/dbraw/zinc/05/32/60/530053260.db2.gz HZGGEJYXVYZPQN-AWEZNQCLSA-N 1 0 314.455 0.332 10 30 DCEERO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000174082063 198289215 /nfs/dbraw/zinc/28/92/15/198289215.db2.gz VYPIJMOONMBFJD-CVEARBPZSA-N 1 0 309.454 0.964 10 30 DCEERO N#C[C@@H]1CCC[C@@H]1NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262447143 238174709 /nfs/dbraw/zinc/17/47/09/238174709.db2.gz VKPGHPDFZAAMQN-OBJOEFQTSA-N 1 0 324.450 0.811 10 30 DCEERO C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000262634692 533635748 /nfs/dbraw/zinc/63/57/48/533635748.db2.gz GMWYHOJOFRTYHH-OLZOCXBDSA-N 1 0 316.471 0.847 10 30 DCEERO C=CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1 ZINC000271463791 395867116 /nfs/dbraw/zinc/86/71/16/395867116.db2.gz QDGBSUWPYOANFN-UHFFFAOYSA-N 1 0 317.393 0.474 10 30 DCEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000247315572 395971738 /nfs/dbraw/zinc/97/17/38/395971738.db2.gz OHGFTZYKJYSYJA-AAEUAGOBSA-N 1 0 306.391 0.810 10 30 DCEERO COCCOCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000158825783 396066167 /nfs/dbraw/zinc/06/61/67/396066167.db2.gz FGNMIDCUUIROAK-UHFFFAOYSA-N 1 0 312.391 0.585 10 30 DCEERO CN(CC(=O)N1CC[NH2+]CC1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000261824915 396070330 /nfs/dbraw/zinc/07/03/30/396070330.db2.gz AXSXIFMFJCRPBZ-UHFFFAOYSA-N 1 0 303.322 0.334 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000279564279 396184319 /nfs/dbraw/zinc/18/43/19/396184319.db2.gz SLIOVJUKTLFZCD-MRXNPFEDSA-N 1 0 306.410 0.558 10 30 DCEERO C=CCNC(=O)c1ccc(N2CC[NH+]([C@@H](CC)CO)CC2)nc1 ZINC000078524101 396246585 /nfs/dbraw/zinc/24/65/85/396246585.db2.gz KIAZVFXZXMGBQD-HNNXBMFYSA-N 1 0 318.421 0.890 10 30 DCEERO C[NH+](C)CC(=O)N1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000191935807 396426868 /nfs/dbraw/zinc/42/68/68/396426868.db2.gz ZPPNQISYMWDEDV-UHFFFAOYSA-N 1 0 304.369 0.903 10 30 DCEERO C[NH+](C)CCCN1C(=O)C[C@@H](N2CCC(C)(C#N)CC2)C1=O ZINC000541859029 396610656 /nfs/dbraw/zinc/61/06/56/396610656.db2.gz HIWRDBHGBQPAEC-CYBMUJFWSA-N 1 0 306.410 0.691 10 30 DCEERO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1=O ZINC000329247139 396841365 /nfs/dbraw/zinc/84/13/65/396841365.db2.gz BBBVADWUOGDZKK-SEBNEYGDSA-N 1 0 320.437 0.936 10 30 DCEERO C=CCNC(=O)c1ccc(NC(=O)NCCOCC[NH2+]C)cc1 ZINC000625850459 397016686 /nfs/dbraw/zinc/01/66/86/397016686.db2.gz ORQJSZOEMCMOBJ-UHFFFAOYSA-N 1 0 320.393 0.960 10 30 DCEERO C=C(C)C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)OC ZINC000601786617 397244335 /nfs/dbraw/zinc/24/43/35/397244335.db2.gz YVDRKPUHOQJIQN-ZDUSSCGKSA-N 1 0 308.382 0.682 10 30 DCEERO C=CCCn1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)nn1 ZINC000614069932 397374694 /nfs/dbraw/zinc/37/46/94/397374694.db2.gz CCERXHODKNNHGK-HNNXBMFYSA-N 1 0 307.398 0.383 10 30 DCEERO C=CCCn1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)nn1 ZINC000614069933 397374895 /nfs/dbraw/zinc/37/48/95/397374895.db2.gz CCERXHODKNNHGK-OAHLLOKOSA-N 1 0 307.398 0.383 10 30 DCEERO C=CCn1cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)nn1 ZINC000620980670 397327965 /nfs/dbraw/zinc/32/79/65/397327965.db2.gz YUVBKMPCOMYNFX-CYBMUJFWSA-N 1 0 307.398 0.647 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593729505 397433729 /nfs/dbraw/zinc/43/37/29/397433729.db2.gz GJLCKLHNMPKROE-MGPQQGTHSA-N 1 0 324.425 0.359 10 30 DCEERO C=CCn1cc(CNC(=O)NC[C@@H]2CCC[N@H+]2CCOC)nn1 ZINC000425457150 397405947 /nfs/dbraw/zinc/40/59/47/397405947.db2.gz YBTVWBNJRSIALS-AWEZNQCLSA-N 1 0 322.413 0.374 10 30 DCEERO C=CCCn1cc(CN2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)nn1 ZINC000593970535 397488473 /nfs/dbraw/zinc/48/84/73/397488473.db2.gz MOWQNVQIGOUSAG-AWEZNQCLSA-N 1 0 321.425 0.923 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602886713 397512434 /nfs/dbraw/zinc/51/24/34/397512434.db2.gz CQCSLGIDNPTBAO-CHWSQXEVSA-N 1 0 320.397 0.705 10 30 DCEERO Cc1oc(NC(=O)CN2C[C@H]3OCCN(C)[C@@H]3C2)c(C#N)c1C ZINC000120945867 158205187 /nfs/dbraw/zinc/20/51/87/158205187.db2.gz LOEPJVPVCLSBJX-ZIAGYGMSSA-N 1 0 318.377 0.721 10 30 DCEERO C[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1CCO ZINC000249550358 287113649 /nfs/dbraw/zinc/11/36/49/287113649.db2.gz HSWACPUCOKEXMD-GDBMZVCRSA-N 1 0 319.405 0.296 10 30 DCEERO C=CCNC(=O)CN1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000352624273 415252211 /nfs/dbraw/zinc/25/22/11/415252211.db2.gz WVIKNLWZDFGTEN-MRXNPFEDSA-N 1 0 309.454 0.847 10 30 DCEERO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000092798256 415544507 /nfs/dbraw/zinc/54/45/07/415544507.db2.gz SAKREAWPMPCHLN-INIZCTEOSA-N 1 0 322.453 0.935 10 30 DCEERO CO[C@@H]1C[C@@H](CO)N(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000329088841 416149439 /nfs/dbraw/zinc/14/94/39/416149439.db2.gz VSZDYKIRFOMEFK-OUCADQQQSA-N 1 0 317.455 0.419 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000330715726 416232936 /nfs/dbraw/zinc/23/29/36/416232936.db2.gz CIVHPCXXIQVKCD-CYBMUJFWSA-N 1 0 322.409 0.537 10 30 DCEERO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329364985 416165774 /nfs/dbraw/zinc/16/57/74/416165774.db2.gz JTKGJRVPWHTVJX-NWDGAFQWSA-N 1 0 314.455 0.500 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)N1CCC(c2cc[nH]n2)CC1 ZINC000195507671 416326663 /nfs/dbraw/zinc/32/66/63/416326663.db2.gz IPSXPBTZEDACMM-NSHDSACASA-N 1 0 305.382 0.989 10 30 DCEERO C=CCN(CCOC)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000423503186 416517610 /nfs/dbraw/zinc/51/76/10/416517610.db2.gz FPUOPGJQDDCEQF-MRXNPFEDSA-N 1 0 309.410 0.250 10 30 DCEERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000365945412 416613371 /nfs/dbraw/zinc/61/33/71/416613371.db2.gz HWGQQKIBIQOVGQ-DAXOMENPSA-N 1 0 317.437 0.851 10 30 DCEERO Cc1cccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c1C#N ZINC000441985280 416684475 /nfs/dbraw/zinc/68/44/75/416684475.db2.gz DXSCBYVREJVCTE-UHFFFAOYSA-N 1 0 323.356 0.850 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000424521143 416660110 /nfs/dbraw/zinc/66/01/10/416660110.db2.gz LMHNGUCMOGSBTA-STQMWFEESA-N 1 0 309.410 0.472 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000566147259 417041179 /nfs/dbraw/zinc/04/11/79/417041179.db2.gz SRXSJZFDXWBADV-GJZGRUSLSA-N 1 0 323.437 0.542 10 30 DCEERO C[C@H]1CN(C(=O)c2ccc(C#N)n2C)CC[N@@H+]1CC(C)(C)O ZINC000450986946 417291495 /nfs/dbraw/zinc/29/14/95/417291495.db2.gz IVUKRYOZRBTMST-LBPRGKRZSA-N 1 0 304.394 0.814 10 30 DCEERO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCOCC[NH2+]C ZINC000627460980 417424154 /nfs/dbraw/zinc/42/41/54/417424154.db2.gz BCTNCOXFPNUEGS-KBPBESRZSA-N 1 0 311.426 0.590 10 30 DCEERO CNC(=O)[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(C)C ZINC000183675478 261116184 /nfs/dbraw/zinc/11/61/84/261116184.db2.gz AUAZQALNHZWJRA-ZFWWWQNUSA-N 1 0 305.378 0.658 10 30 DCEERO C[NH+]=C(NC[C@@H](C)SC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261986592 277751647 /nfs/dbraw/zinc/75/16/47/277751647.db2.gz QHHBFKSKMRGUNJ-SNVBAGLBSA-N 1 0 307.485 0.822 10 30 DCEERO CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCO1)N1CC[C@@H](C2CC2)C1 ZINC000262342336 288956104 /nfs/dbraw/zinc/95/61/04/288956104.db2.gz XIMFROOXTNGGEN-CABCVRRESA-N 1 0 322.453 0.931 10 30 DCEERO C=CC[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000564979061 332344335 /nfs/dbraw/zinc/34/43/35/332344335.db2.gz QJHLOOPZTQKCOX-HUUCEWRRSA-N 1 0 308.378 0.911 10 30 DCEERO CC[N@@H+]1CCC[C@H](NC(=O)c2cn(Cc3noc(C)n3)nn2)C1 ZINC000329873226 336091317 /nfs/dbraw/zinc/09/13/17/336091317.db2.gz DRJJAUKPGTWZHG-NSHDSACASA-N 1 0 319.369 0.807 10 30 DCEERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000329974424 336101842 /nfs/dbraw/zinc/10/18/42/336101842.db2.gz DAZZACBOWXMQHN-KBXIAJHMSA-N 1 0 311.426 0.976 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583019463 337225662 /nfs/dbraw/zinc/22/56/62/337225662.db2.gz FAMPIAKBRCFZHH-ZQIUZPCESA-N 1 0 321.421 0.296 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000571754172 337575154 /nfs/dbraw/zinc/57/51/54/337575154.db2.gz KZBGOYPZXWOYNS-KKUMJFAQSA-N 1 0 308.426 0.267 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCc2nncn2-c2ccccc2)CCO1 ZINC000262451099 533787707 /nfs/dbraw/zinc/78/77/07/533787707.db2.gz JXDUFHRUMVWHAL-LBPRGKRZSA-N 1 0 300.366 0.803 10 30 DCEERO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170844078 525995687 /nfs/dbraw/zinc/99/56/87/525995687.db2.gz PWPIHMCQFVDEPH-CYBMUJFWSA-N 1 0 300.362 0.968 10 30 DCEERO C[NH+]=C(NC1CCC1)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000262777266 526344523 /nfs/dbraw/zinc/34/45/23/526344523.db2.gz JQQLUXUOABQOHM-UHFFFAOYSA-N 1 0 316.471 0.213 10 30 DCEERO C[NH+]=C(NC[C@H]1CCCCO1)N1CCN(Cc2ccon2)CC1 ZINC000261681353 526377808 /nfs/dbraw/zinc/37/78/08/526377808.db2.gz DDQOZDVHDWYCQT-OAHLLOKOSA-N 1 0 321.425 0.937 10 30 DCEERO C[NH+]=C(NCc1nnc(C)n1C)N(C)CC(=O)NC(C)(C)C ZINC000262015187 526391488 /nfs/dbraw/zinc/39/14/88/526391488.db2.gz XOCVCRPPYSOUJQ-UHFFFAOYSA-N 1 0 309.418 0.045 10 30 DCEERO C[NH+]=C(N[C@H]1CC1(C)C)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000261975408 526396071 /nfs/dbraw/zinc/39/60/71/526396071.db2.gz NOWWJTRMPWVCSF-MNOVXSKESA-N 1 0 306.414 0.703 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000363996570 526428575 /nfs/dbraw/zinc/42/85/75/526428575.db2.gz ILFHGPUDGCQLJP-HNNXBMFYSA-N 1 0 308.426 0.363 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263283172 526535216 /nfs/dbraw/zinc/53/52/16/526535216.db2.gz UOPHAMCUOBUYIA-PBHICJAKSA-N 1 0 322.453 0.340 10 30 DCEERO C=CCOCCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367159271 526776134 /nfs/dbraw/zinc/77/61/34/526776134.db2.gz LUQCHMRVRJDBSS-HNNXBMFYSA-N 1 0 311.426 0.943 10 30 DCEERO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364945227 527198392 /nfs/dbraw/zinc/19/83/92/527198392.db2.gz PVYCGXBXIOWETM-ZIAGYGMSSA-N 1 0 310.442 0.391 10 30 DCEERO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177244703 528363007 /nfs/dbraw/zinc/36/30/07/528363007.db2.gz WJQXQVCZLIKJIT-HUUCEWRRSA-N 1 0 308.426 0.401 10 30 DCEERO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccnn2)CC1 ZINC000329272564 546044855 /nfs/dbraw/zinc/04/48/55/546044855.db2.gz AFBMLYWMLDJXBH-CYBMUJFWSA-N 1 0 316.409 0.749 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000262492379 662416436 /nfs/dbraw/zinc/41/64/36/662416436.db2.gz VJBUYIBZWAQUKN-MCIONIFRSA-N 1 0 312.458 0.910 10 30 DCEERO CC[NH+]=C(NC1CCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262760229 662570380 /nfs/dbraw/zinc/57/03/80/662570380.db2.gz CWMWDZHAMRXPNY-CQSZACIVSA-N 1 0 308.426 0.828 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCC(C(=O)OC)CC1 ZINC000085770766 662977953 /nfs/dbraw/zinc/97/79/53/662977953.db2.gz RURLRWMUHWPEQJ-KBPBESRZSA-N 1 0 311.426 0.998 10 30 DCEERO CS(=O)(=O)N[C@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000172022472 664614983 /nfs/dbraw/zinc/61/49/83/664614983.db2.gz WDHWQFLYNXRVNM-AWEZNQCLSA-N 1 0 323.418 0.951 10 30 DCEERO C=C(Br)CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117039763 671153002 /nfs/dbraw/zinc/15/30/02/671153002.db2.gz PRBOGECAWVSAQH-SNVBAGLBSA-N 1 0 306.204 0.867 10 30 DCEERO CN(Cc1ccc[nH]1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262454912 529992240 /nfs/dbraw/zinc/99/22/40/529992240.db2.gz WPXMNIGESGSLBX-GFCCVEGCSA-N 1 0 324.450 0.989 10 30 DCEERO CN1CCC[NH+]=C1NCc1cnc(N2CCOCC2)c(F)c1 ZINC000263097688 530054178 /nfs/dbraw/zinc/05/41/78/530054178.db2.gz JOGQMJUVXQZJEI-UHFFFAOYSA-N 1 0 307.373 0.838 10 30 DCEERO C[C@@H](CNC(=O)c1cc(C#N)cn1C)C[NH+]1CCN(C)CC1 ZINC000081758484 192320854 /nfs/dbraw/zinc/32/08/54/192320854.db2.gz XWLNUYUDGRLFDC-ZDUSSCGKSA-N 1 0 303.410 0.510 10 30 DCEERO O=[N+]([O-])c1ccccc1/C=N/CC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000005897767 181294277 /nfs/dbraw/zinc/29/42/77/181294277.db2.gz HYZMRGOJRBZMRA-IGVUGNCQSA-N 1 0 311.363 0.790 10 30 DCEERO N#CCCN(CCC#N)C(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000172347108 237146975 /nfs/dbraw/zinc/14/69/75/237146975.db2.gz PEDIHXNMDJDTCP-UHFFFAOYSA-N 1 0 303.410 0.812 10 30 DCEERO CN(C)C(=O)CNC(N[C@@H]1CCC[C@H]1C#N)=[NH+]C[C@@H]1CCCO1 ZINC000262346647 238173187 /nfs/dbraw/zinc/17/31/87/238173187.db2.gz YCCVKOSATAMHQK-MELADBBJSA-N 1 0 321.425 0.481 10 30 DCEERO [NH2+]=C(NCC1(C(F)F)CC1)N1CCN(c2ncccn2)CC1 ZINC000262446658 238174447 /nfs/dbraw/zinc/17/44/47/238174447.db2.gz IVICJSGOUXDNFR-UHFFFAOYSA-N 1 0 310.352 0.959 10 30 DCEERO Cc1ccc(NC(=[NH2+])NC[C@@H]2CS(=O)(=O)CCO2)cc1C ZINC000262686196 238178908 /nfs/dbraw/zinc/17/89/08/238178908.db2.gz YLFIQFRNACAWMO-CYBMUJFWSA-N 1 0 311.407 0.844 10 30 DCEERO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)CCCC#N)CC1 ZINC000161461373 533664090 /nfs/dbraw/zinc/66/40/90/533664090.db2.gz KBBVFVWCDBFQLS-CYBMUJFWSA-N 1 0 317.455 0.645 10 30 DCEERO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccnc(C#N)c1 ZINC000194061325 395786869 /nfs/dbraw/zinc/78/68/69/395786869.db2.gz RUARTLACUPILFH-LBPRGKRZSA-N 1 0 302.378 0.870 10 30 DCEERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2sccc2C#N)CCO1 ZINC000155325843 396049350 /nfs/dbraw/zinc/04/93/50/396049350.db2.gz MYLRVYZQZULDSY-LBPRGKRZSA-N 1 0 308.407 0.821 10 30 DCEERO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177248858 396170307 /nfs/dbraw/zinc/17/03/07/396170307.db2.gz XZBJHQWMHDLGQS-ILXRZTDVSA-N 1 0 308.426 0.399 10 30 DCEERO C=CCCSCCNC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000595197412 396563023 /nfs/dbraw/zinc/56/30/23/396563023.db2.gz RIDMHBWPGAEZRE-CYBMUJFWSA-N 1 0 313.467 0.965 10 30 DCEERO COc1ccc(C[N@@H+]2CCC[C@](O)(CC(N)=O)C2)cc1C#N ZINC000591632031 396950416 /nfs/dbraw/zinc/95/04/16/396950416.db2.gz SCYZFGHDGHWNEB-INIZCTEOSA-N 1 0 303.362 0.769 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000597444442 396974459 /nfs/dbraw/zinc/97/44/59/396974459.db2.gz ANBXFRXXPHZUSR-MELADBBJSA-N 1 0 313.467 0.961 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612389314 397041948 /nfs/dbraw/zinc/04/19/48/397041948.db2.gz QQKWTQHNDZZXHW-CVEARBPZSA-N 1 0 323.437 0.827 10 30 DCEERO C=C(C)C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)OC ZINC000601786741 397244553 /nfs/dbraw/zinc/24/45/53/397244553.db2.gz ZHFWSKKZWXOUKR-CYBMUJFWSA-N 1 0 308.382 0.682 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000599686151 397505443 /nfs/dbraw/zinc/50/54/43/397505443.db2.gz UDNSJZNKXTXKRM-GDPRMGEGSA-N 1 0 323.353 0.198 10 30 DCEERO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000278980219 415514179 /nfs/dbraw/zinc/51/41/79/415514179.db2.gz YYKVLJIYTMBPLY-CRAIPNDOSA-N 1 0 324.384 0.876 10 30 DCEERO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000278980220 415514220 /nfs/dbraw/zinc/51/42/20/415514220.db2.gz YYKVLJIYTMBPLY-MAUKXSAKSA-N 1 0 324.384 0.876 10 30 DCEERO C#CCC(CC#C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000287476335 415670671 /nfs/dbraw/zinc/67/06/71/415670671.db2.gz RQVFDKHABFYHPZ-INIZCTEOSA-N 1 0 317.433 0.708 10 30 DCEERO N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000333668441 415710872 /nfs/dbraw/zinc/71/08/72/415710872.db2.gz MSNVHGCGSXRSEO-CYBMUJFWSA-N 1 0 300.366 0.147 10 30 DCEERO C=CCN1CC[C@H](N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000337197433 415927235 /nfs/dbraw/zinc/92/72/35/415927235.db2.gz XEHKGVUMXQYDBV-SJORKVTESA-N 1 0 320.481 0.875 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccnn2C)CC1 ZINC000340482768 416189307 /nfs/dbraw/zinc/18/93/07/416189307.db2.gz GHCGPCHSTZGLHD-UHFFFAOYSA-N 1 0 319.409 0.193 10 30 DCEERO CN(C[C@@H]1CC[N@H+](C)C1)C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329248644 416157746 /nfs/dbraw/zinc/15/77/46/416157746.db2.gz AKKUMJWMCRHOIK-FRRDWIJNSA-N 1 0 308.386 0.016 10 30 DCEERO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CC2CC(O)C2)CC1 ZINC000190216104 416276160 /nfs/dbraw/zinc/27/61/60/416276160.db2.gz VGJSURZTVCHUNQ-GPANFISMSA-N 1 0 322.453 0.381 10 30 DCEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000193110072 416311999 /nfs/dbraw/zinc/31/19/99/416311999.db2.gz FAMJCJRSSGSPKJ-MNOVXSKESA-N 1 0 311.407 0.675 10 30 DCEERO C[C@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC000360251036 416381922 /nfs/dbraw/zinc/38/19/22/416381922.db2.gz KTQOMWJVDIQPLZ-NWDGAFQWSA-N 1 0 304.398 0.899 10 30 DCEERO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000562366105 416865775 /nfs/dbraw/zinc/86/57/75/416865775.db2.gz LYWSLPHLULJCCG-BXUZGUMPSA-N 1 0 317.393 1.353 10 30 DCEERO C=CCn1c([C@H]2COCCO2)nnc1N1CC[NH+](CC)CC1 ZINC000573251534 417470735 /nfs/dbraw/zinc/47/07/35/417470735.db2.gz RAEIJZUVGGCJOF-CYBMUJFWSA-N 1 0 307.398 0.694 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000575941422 417566061 /nfs/dbraw/zinc/56/60/61/417566061.db2.gz XGOIQVDGXICGJN-UHFFFAOYSA-N 1 0 324.469 0.555 10 30 DCEERO C[NH+]=C(NCCOCC1CC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261861421 277750922 /nfs/dbraw/zinc/75/09/22/277750922.db2.gz ZKFKARRLZCGBQG-MRXNPFEDSA-N 1 0 308.426 0.591 10 30 DCEERO C[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[N@H+](C)C1CC1 ZINC000363405835 279330501 /nfs/dbraw/zinc/33/05/01/279330501.db2.gz IWGWWBWWSXDOSV-IUODEOHRSA-N 1 0 305.426 0.851 10 30 DCEERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccncc1C#N ZINC000548480169 288147352 /nfs/dbraw/zinc/14/73/52/288147352.db2.gz GBDZVGIADQBFNI-OAHLLOKOSA-N 1 0 301.394 0.730 10 30 DCEERO C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2C1=O ZINC000516921483 331935158 /nfs/dbraw/zinc/93/51/58/331935158.db2.gz IZGZGSKFQTWGRV-LBPRGKRZSA-N 1 0 313.357 0.903 10 30 DCEERO Cc1cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)n(CCC#N)n1 ZINC000525852971 332120118 /nfs/dbraw/zinc/12/01/18/332120118.db2.gz HNDDNGUQEQCXTG-UHFFFAOYSA-N 1 0 320.397 0.454 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000425910973 338018858 /nfs/dbraw/zinc/01/88/58/338018858.db2.gz ZMUQZWWBEIFGAU-AJNGGQMLSA-N 1 0 323.437 0.635 10 30 DCEERO C=CCN(CCOC)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000358323027 526278482 /nfs/dbraw/zinc/27/84/82/526278482.db2.gz NDWSWJUHBJXRGW-UHFFFAOYSA-N 1 0 323.437 0.781 10 30 DCEERO C[NH+]=C(NC1CCC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000262014520 526344291 /nfs/dbraw/zinc/34/42/91/526344291.db2.gz XMDCKMUGBGXJBN-CQSZACIVSA-N 1 0 321.469 0.743 10 30 DCEERO C/[NH+]=C(/NCC(=O)NC(C)(C)C)NCc1cn2ccsc2n1 ZINC000262298151 526345549 /nfs/dbraw/zinc/34/55/49/526345549.db2.gz YZQLAIVQIPAOIL-UHFFFAOYSA-N 1 0 322.438 0.976 10 30 DCEERO C[NH+]=C(NCC(=O)OC(C)(C)C)N[C@@H]1CCCn2nc(C)nc21 ZINC000262781095 526348714 /nfs/dbraw/zinc/34/87/14/526348714.db2.gz LBEXCDYVZLNEKA-LLVKDONJSA-N 1 0 322.413 0.928 10 30 DCEERO C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000262824539 526352231 /nfs/dbraw/zinc/35/22/31/526352231.db2.gz ZKTQIQPCDMRIFS-CYBMUJFWSA-N 1 0 320.441 0.469 10 30 DCEERO C[NH+]=C(NCC1CCOCC1)NC[C@@H]1CCc2nnc(C)n2C1 ZINC000262774125 526353265 /nfs/dbraw/zinc/35/32/65/526353265.db2.gz JQTHKGNLSPATDZ-AWEZNQCLSA-N 1 0 320.441 0.741 10 30 DCEERO C[NH+]=C(NCCNS(C)(=O)=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261861594 526361229 /nfs/dbraw/zinc/36/12/29/526361229.db2.gz YNVIMISVXCBYNZ-TXEJJXNPSA-N 1 0 302.444 0.233 10 30 DCEERO C[NH+]=C(NCCc1ccco1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261737451 526364902 /nfs/dbraw/zinc/36/49/02/526364902.db2.gz KGQKBFCKXUCSQK-MRXNPFEDSA-N 1 0 304.394 1.000 10 30 DCEERO C[NH+]=C(NC[C@H]1CCCO1)N1CCN(Cc2ccon2)CC1 ZINC000152838855 526377136 /nfs/dbraw/zinc/37/71/36/526377136.db2.gz KMTQTSIXPYJHJC-CQSZACIVSA-N 1 0 307.398 0.547 10 30 DCEERO C[NH+]=C(NC[C@]1(C)CCOC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262014033 526378051 /nfs/dbraw/zinc/37/80/51/526378051.db2.gz XFJDMSSTOBBRBJ-AWEZNQCLSA-N 1 0 317.455 0.497 10 30 DCEERO C[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)N1CCN(C2CC2)C(=O)C1 ZINC000262791287 526378402 /nfs/dbraw/zinc/37/84/02/526378402.db2.gz ODQFPHNRUASWCL-PBHICJAKSA-N 1 0 322.453 0.810 10 30 DCEERO C[NH+]=C(NCc1noc(C)n1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261707917 526393451 /nfs/dbraw/zinc/39/34/51/526393451.db2.gz GVRHQNRHPZWCJS-LBPRGKRZSA-N 1 0 319.369 0.260 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000172584910 526436781 /nfs/dbraw/zinc/43/67/81/526436781.db2.gz PFMHDYXIBFCICF-GXTWGEPZSA-N 1 0 308.426 0.980 10 30 DCEERO C=CCN1CC[C@H]([NH+]2CCC(C3N=NC(=O)N3CC)CC2)C1=O ZINC000377570350 526506058 /nfs/dbraw/zinc/50/60/58/526506058.db2.gz FQYCAQRLDZGQEQ-ZDUSSCGKSA-N 1 0 319.409 0.970 10 30 DCEERO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O ZINC000369206776 526507975 /nfs/dbraw/zinc/50/79/75/526507975.db2.gz WNECTEVYAVAZCZ-GJZGRUSLSA-N 1 0 321.421 0.344 10 30 DCEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000193110090 526627372 /nfs/dbraw/zinc/62/73/72/526627372.db2.gz FAMJCJRSSGSPKJ-WDEREUQCSA-N 1 0 311.407 0.675 10 30 DCEERO C#CCNC(=O)CN1CCCN(C(=O)[C@H](CCC)[NH+](C)C)CC1 ZINC000162020990 526994458 /nfs/dbraw/zinc/99/44/58/526994458.db2.gz STFFEZSEJPWNLA-HNNXBMFYSA-N 1 0 322.453 0.000 10 30 DCEERO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000407951575 528636703 /nfs/dbraw/zinc/63/67/03/528636703.db2.gz CFGITKWXLMRBLB-LBPRGKRZSA-N 1 0 302.444 0.739 10 30 DCEERO CCC(CC)(CO)CNC(=[NH+]C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261772104 528696856 /nfs/dbraw/zinc/69/68/56/528696856.db2.gz ODYYDWDLFFKWRU-KRWDZBQOSA-N 1 0 324.469 0.963 10 30 DCEERO CC[NH+]=C(NCCN1C(=O)CNC1=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261650117 528805630 /nfs/dbraw/zinc/80/56/30/528805630.db2.gz FBHVKLOICYHZIY-STQMWFEESA-N 1 0 321.425 0.626 10 30 DCEERO CC[NH+]=C(NCCn1ccnc1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261737933 528807729 /nfs/dbraw/zinc/80/77/29/528807729.db2.gz KGWAEGHNWXSCQF-INIZCTEOSA-N 1 0 318.425 0.451 10 30 DCEERO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)NC1CCOCC1 ZINC000262772064 528813921 /nfs/dbraw/zinc/81/39/21/528813921.db2.gz IYGVLCXNCHRREC-CYBMUJFWSA-N 1 0 320.441 0.883 10 30 DCEERO CCNC(=[NH2+])NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000262656099 528941860 /nfs/dbraw/zinc/94/18/60/528941860.db2.gz LPYCXFBBWOICQZ-JTQLQIEISA-N 1 0 316.452 0.683 10 30 DCEERO C=CCn1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)nn1 ZINC000615274838 546316995 /nfs/dbraw/zinc/31/69/95/546316995.db2.gz KLHPXAJLRDITNO-ZIAGYGMSSA-N 1 0 305.382 0.399 10 30 DCEERO CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000262381718 662359546 /nfs/dbraw/zinc/35/95/46/662359546.db2.gz KMUHNGQIFAWVHG-YPMHNXCESA-N 1 0 316.471 0.941 10 30 DCEERO C[NH+]=C(NCCNS(=O)(=O)c1ccccc1)N[C@@H]1C[C@@H]1C ZINC000083902189 667307713 /nfs/dbraw/zinc/30/77/13/667307713.db2.gz YLCFGWSOWCQMQP-WCQYABFASA-N 1 0 310.423 0.538 10 30 DCEERO CCC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000742174404 667782311 /nfs/dbraw/zinc/78/23/11/667782311.db2.gz BGVCUOPUEIJFSJ-UHFFFAOYSA-N 1 0 308.407 0.738 10 30 DCEERO Cc1c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cnn1CCC#N ZINC000826719404 668138428 /nfs/dbraw/zinc/13/84/28/668138428.db2.gz ZIVXLHVIUJSMBD-HUUCEWRRSA-N 1 0 317.393 0.650 10 30 DCEERO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1C#N ZINC000174007013 198280516 /nfs/dbraw/zinc/28/05/16/198280516.db2.gz NKKDCSFVLQRGMF-GFCCVEGCSA-N 1 0 300.362 0.968 10 30 DCEERO [NH2+]=C(NCc1ccc(N2CCCS2(=O)=O)cc1)NC1CC1 ZINC000185497538 237301247 /nfs/dbraw/zinc/30/12/47/237301247.db2.gz FQZZCADDIPBGNR-UHFFFAOYSA-N 1 0 308.407 0.793 10 30 DCEERO C[C@@H]1CN(C(C)(C)CNC(=[NH2+])NC[C@@H]2CCCO2)C[C@H](C)O1 ZINC000261898212 238168208 /nfs/dbraw/zinc/16/82/08/238168208.db2.gz VJIQHZZFBSLYBI-MJBXVCDLSA-N 1 0 312.458 0.958 10 30 DCEERO CN(C)C(=O)CNC(NCc1ccnc2ccnn21)=[NH+]C1CC1 ZINC000262281426 238171881 /nfs/dbraw/zinc/17/18/81/238171881.db2.gz JETGGJMTUNCDMV-UHFFFAOYSA-N 1 0 315.381 0.015 10 30 DCEERO [NH2+]=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)N1CCOCC1 ZINC000262687692 238178243 /nfs/dbraw/zinc/17/82/43/238178243.db2.gz YYQLSEZCGSCPNC-NEPJUHHUSA-N 1 0 321.381 0.814 10 30 DCEERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccccc1C#N ZINC000105932798 194173703 /nfs/dbraw/zinc/17/37/03/194173703.db2.gz HFKZAHYYUVNFHH-GXTWGEPZSA-N 1 0 302.378 0.805 10 30 DCEERO C=CCNC(=O)c1ccc(N2CC[NH+]([C@H](CC)CO)CC2)nc1 ZINC000078524110 396246951 /nfs/dbraw/zinc/24/69/51/396246951.db2.gz KIAZVFXZXMGBQD-OAHLLOKOSA-N 1 0 318.421 0.890 10 30 DCEERO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1Cl ZINC000184719038 396302949 /nfs/dbraw/zinc/30/29/49/396302949.db2.gz ZCRZEBZTCQPGBI-OLZOCXBDSA-N 1 0 323.780 0.968 10 30 DCEERO C=CC[C@@H](CO)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000185739411 396333949 /nfs/dbraw/zinc/33/39/49/396333949.db2.gz CRKOZNAZDZARIM-AWEZNQCLSA-N 1 0 304.394 0.500 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000595850661 396670785 /nfs/dbraw/zinc/67/07/85/396670785.db2.gz MXEGTWJKSCLUGH-QWHCGFSZSA-N 1 0 324.425 0.623 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000611874946 396941486 /nfs/dbraw/zinc/94/14/86/396941486.db2.gz NRMUTQRWCDCNJO-INIZCTEOSA-N 1 0 323.437 0.781 10 30 DCEERO CC#CCCNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626817818 397248307 /nfs/dbraw/zinc/24/83/07/397248307.db2.gz OIUMNLVIQUODHP-UHFFFAOYSA-N 1 0 301.346 0.637 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620474580 397275908 /nfs/dbraw/zinc/27/59/08/397275908.db2.gz HHPUNLRFFFYASG-CVEARBPZSA-N 1 0 323.437 0.515 10 30 DCEERO C=CCCn1cc(CN2CC[N@H+](C)C[C@@H](C(=O)OC)C2)nn1 ZINC000594012384 397492127 /nfs/dbraw/zinc/49/21/27/397492127.db2.gz KTFZTJINFHSWRJ-CYBMUJFWSA-N 1 0 307.398 0.391 10 30 DCEERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000329231854 416158640 /nfs/dbraw/zinc/15/86/40/416158640.db2.gz KXLRRHMPHWOUMK-JTQLQIEISA-N 1 0 322.331 0.701 10 30 DCEERO O=C(NCCN1CCNC(=O)C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000329303599 416161747 /nfs/dbraw/zinc/16/17/47/416161747.db2.gz NYKSCKCTNDNGMB-ZDUSSCGKSA-N 1 0 309.414 0.343 10 30 DCEERO CC[C@@H]1CN(CC(=O)N(CC)C[C@H](C)C#N)CC[N@@H+]1C[C@H](C)O ZINC000247397156 416332819 /nfs/dbraw/zinc/33/28/19/416332819.db2.gz XWWSEAXHRBYPLP-OWCLPIDISA-N 1 0 324.469 0.772 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000424543282 416661836 /nfs/dbraw/zinc/66/18/36/416661836.db2.gz JEICCDUFNITCPH-FQUUOJAGSA-N 1 0 307.394 0.047 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000424542456 416662261 /nfs/dbraw/zinc/66/22/61/416662261.db2.gz IKNUGFYKAVCMLL-LXFSFDBISA-N 1 0 321.421 0.280 10 30 DCEERO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOCC[C@H]2C)CC1 ZINC000374992610 416993688 /nfs/dbraw/zinc/99/36/88/416993688.db2.gz ZWAIMXWNVKETNO-HZPDHXFCSA-N 1 0 322.453 0.790 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000616478562 417059852 /nfs/dbraw/zinc/05/98/52/417059852.db2.gz WEMLKESNROVABD-JSGCOSHPSA-N 1 0 324.425 0.036 10 30 DCEERO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC12COC2 ZINC000451145791 417306201 /nfs/dbraw/zinc/30/62/01/417306201.db2.gz ZGLFLFZUWWHDBC-ZDUSSCGKSA-N 1 0 323.393 0.260 10 30 DCEERO C=CCCCCCN(C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627455195 417420010 /nfs/dbraw/zinc/42/00/10/417420010.db2.gz OKBUIMMCCNNYQK-UHFFFAOYSA-N 1 0 311.426 0.815 10 30 DCEERO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627500928 417443419 /nfs/dbraw/zinc/44/34/19/417443419.db2.gz REZULKIAHJLRBW-GXTWGEPZSA-N 1 0 305.378 0.703 10 30 DCEERO C[C@@H](CNC(=O)Cc1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000531147210 417610347 /nfs/dbraw/zinc/61/03/47/417610347.db2.gz SQTKMZPSUHMQAF-AWEZNQCLSA-N 1 0 300.406 0.853 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCCO1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158582382 277751796 /nfs/dbraw/zinc/75/17/96/277751796.db2.gz SZFPFMBPDMKKIH-NSHDSACASA-N 1 0 303.428 0.250 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)CCO1 ZINC000261676712 278627594 /nfs/dbraw/zinc/62/75/94/278627594.db2.gz PWVNIPYOUMXDTF-HZSPNIEDSA-N 1 0 311.426 0.590 10 30 DCEERO C=CC[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000564979063 332344368 /nfs/dbraw/zinc/34/43/68/332344368.db2.gz QJHLOOPZTQKCOX-LSDHHAIUSA-N 1 0 308.378 0.911 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](O)Cc2cnn(C)c2)CC1 ZINC000330976854 334827546 /nfs/dbraw/zinc/82/75/46/334827546.db2.gz VXQLQTYFFQYKJV-HNNXBMFYSA-N 1 0 306.410 0.480 10 30 DCEERO CC[NH+]1CCC(NC(=O)CN2CCO[C@]3(CCOC3)C2)CC1 ZINC000329887055 336092456 /nfs/dbraw/zinc/09/24/56/336092456.db2.gz WYKHDWSIUUCNHF-MRXNPFEDSA-N 1 0 311.426 0.919 10 30 DCEERO C[C@@H](CNC(=O)c1cnn2ccncc12)C[NH+]1CCN(C)CC1 ZINC000330041203 336108662 /nfs/dbraw/zinc/10/86/62/336108662.db2.gz BODIHCXWVVGPQB-ZDUSSCGKSA-N 1 0 316.409 0.917 10 30 DCEERO C=CCOC[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C(=O)OC ZINC000435949643 338253891 /nfs/dbraw/zinc/25/38/91/338253891.db2.gz MYSRTMBWDBSVLB-GFCCVEGCSA-N 1 0 307.350 0.622 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCc2cccc(N3CCC3=O)c2)CCO1 ZINC000262816314 533788398 /nfs/dbraw/zinc/78/83/98/533788398.db2.gz WRXGECZBJCHNNJ-LBPRGKRZSA-N 1 0 302.378 0.959 10 30 DCEERO C[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@@H+]1CCO ZINC000187657420 533926227 /nfs/dbraw/zinc/92/62/27/533926227.db2.gz AQRDLMVSTSMQOU-AWEZNQCLSA-N 1 0 316.405 0.885 10 30 DCEERO CS[C@@H]1CN(S(=O)(=O)CCC#N)C[C@@H]1[NH+]1CCCC1 ZINC000408461297 534012683 /nfs/dbraw/zinc/01/26/83/534012683.db2.gz UVJGJEGCKYZSLM-NWDGAFQWSA-N 1 0 303.453 0.741 10 30 DCEERO N#CCCN(CCC#N)C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000246148099 534643566 /nfs/dbraw/zinc/64/35/66/534643566.db2.gz FVCDWBRQUGGYIF-OAHLLOKOSA-N 1 0 303.410 0.812 10 30 DCEERO N#CCCn1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000173341872 534660475 /nfs/dbraw/zinc/66/04/75/534660475.db2.gz SKJYCHIEUPQLLS-ZDUSSCGKSA-N 1 0 320.397 0.765 10 30 DCEERO C[NH+]=C(NCCn1cc(C)cn1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261848167 526366332 /nfs/dbraw/zinc/36/63/32/526366332.db2.gz XPIDRLWUAPLLGI-MRXNPFEDSA-N 1 0 318.425 0.369 10 30 DCEERO C[NH+]=C(NCCn1ccnc1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261809452 526368178 /nfs/dbraw/zinc/36/81/78/526368178.db2.gz HOKXIRYZGRZGRW-UHFFFAOYSA-N 1 0 320.441 0.790 10 30 DCEERO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376713136 526675157 /nfs/dbraw/zinc/67/51/57/526675157.db2.gz YJMOGOKJXOLHCW-MRXNPFEDSA-N 1 0 301.434 0.934 10 30 DCEERO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C2N=NC(=O)N2CC)CC1 ZINC000366906497 527018431 /nfs/dbraw/zinc/01/84/31/527018431.db2.gz VAVAWPJVDDQMFW-LLVKDONJSA-N 1 0 305.382 0.321 10 30 DCEERO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374621981 527027974 /nfs/dbraw/zinc/02/79/74/527027974.db2.gz RQLYNMOCPKEVTQ-UONOGXRCSA-N 1 0 317.389 0.859 10 30 DCEERO C=CC[C@@H](CO)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000183315390 527088448 /nfs/dbraw/zinc/08/84/48/527088448.db2.gz UXZUNKXDDOENQC-HNNXBMFYSA-N 1 0 324.469 0.781 10 30 DCEERO C=CC[C@H](CO)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000183520622 527194984 /nfs/dbraw/zinc/19/49/84/527194984.db2.gz RKPSJZKQTYUJPA-UKRRQHHQSA-N 1 0 311.426 0.724 10 30 DCEERO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000373593998 527614170 /nfs/dbraw/zinc/61/41/70/527614170.db2.gz NIOOBSFMNRHLCQ-WMLDXEAASA-N 1 0 322.405 0.699 10 30 DCEERO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@H+](C)C[C@H]2C)CC1 ZINC000408099852 528338029 /nfs/dbraw/zinc/33/80/29/528338029.db2.gz QEVHCYGKCAMGMW-HZPDHXFCSA-N 1 0 321.469 0.315 10 30 DCEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1CCS(=O)(=O)C1 ZINC000329202656 546044193 /nfs/dbraw/zinc/04/41/93/546044193.db2.gz YDALIUXJCBDQDH-NEPJUHHUSA-N 1 0 315.439 0.694 10 30 DCEERO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[C@H]1C ZINC000261616816 661325148 /nfs/dbraw/zinc/32/51/48/661325148.db2.gz GZUXNKAEEVXROR-ZYHUDNBSSA-N 1 0 302.444 0.231 10 30 DCEERO CC[NH+]1CCC(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000732700652 664953038 /nfs/dbraw/zinc/95/30/38/664953038.db2.gz LCJGVAANIMTNCR-HNNXBMFYSA-N 1 0 305.426 0.852 10 30 DCEERO C#CCNC(=O)C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000733999607 666834704 /nfs/dbraw/zinc/83/47/04/666834704.db2.gz JUWNJGDXCILWQB-GOSISDBHSA-N 1 0 315.417 0.353 10 30 DCEERO O=C(C[N+]12CCN(CC1)CC2)N[C@@H]1CCOc2ccccc21 ZINC000029221448 717116747 /nfs/dbraw/zinc/11/67/47/717116747.db2.gz WCSQAODITUZYNC-OAHLLOKOSA-O 1 0 302.398 0.772 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000174082051 198288837 /nfs/dbraw/zinc/28/88/37/198288837.db2.gz VYPIJMOONMBFJD-JKSUJKDBSA-N 1 0 309.454 0.964 10 30 DCEERO C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CCn3ncc(C(N)=O)c3C2)C1 ZINC000261896776 238168167 /nfs/dbraw/zinc/16/81/67/238168167.db2.gz DBLVBIMEQVLWCE-RYUDHWBXSA-N 1 0 318.425 0.591 10 30 DCEERO C[N@@H+]1CC[C@@H]2OCCN(CC(=O)Nc3sccc3C#N)[C@@H]2C1 ZINC000285004355 131129937 /nfs/dbraw/zinc/12/99/37/131129937.db2.gz YRTWVKQBNKHYEW-OLZOCXBDSA-N 1 0 320.418 0.963 10 30 DCEERO C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000139763396 395955391 /nfs/dbraw/zinc/95/53/91/395955391.db2.gz SNGQRZMYSWHVTK-HNNXBMFYSA-N 1 0 314.389 1.000 10 30 DCEERO N#Cc1cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000261790772 396066544 /nfs/dbraw/zinc/06/65/44/396066544.db2.gz XUYVYRNXCRDZKG-JQWIXIFHSA-N 1 0 309.366 0.927 10 30 DCEERO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176010189 396147934 /nfs/dbraw/zinc/14/79/34/396147934.db2.gz RAIKNUMZIBANOV-CYBMUJFWSA-N 1 0 316.336 0.942 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000320538111 396814263 /nfs/dbraw/zinc/81/42/63/396814263.db2.gz OLTXLMSYWHBSKT-HNNXBMFYSA-N 1 0 322.453 0.213 10 30 DCEERO Cc1cc(C#N)nc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000376170181 396886871 /nfs/dbraw/zinc/88/68/71/396886871.db2.gz BMMNZQUKVGLGAP-HNNXBMFYSA-N 1 0 300.410 0.873 10 30 DCEERO C=CCSCCNC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000597218208 396916595 /nfs/dbraw/zinc/91/65/95/396916595.db2.gz MCJJCFCBYITECP-CYBMUJFWSA-N 1 0 313.467 0.965 10 30 DCEERO COc1cc(C[N@@H+]2CCC[C@@](O)(CC(N)=O)C2)ccc1C#N ZINC000591629546 396949124 /nfs/dbraw/zinc/94/91/24/396949124.db2.gz GZKGNXVDYDRRQY-MRXNPFEDSA-N 1 0 303.362 0.769 10 30 DCEERO N#Cc1ccnc(C(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)c1 ZINC000591693550 396978823 /nfs/dbraw/zinc/97/88/23/396978823.db2.gz MEORIZOSGVKLEL-NFAWXSAZSA-N 1 0 300.362 0.671 10 30 DCEERO C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)n1cnc(C#N)n1 ZINC000619617292 397160528 /nfs/dbraw/zinc/16/05/28/397160528.db2.gz RFFFJJUQPAJVIT-DGCLKSJQSA-N 1 0 302.382 0.844 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614071190 397376006 /nfs/dbraw/zinc/37/60/06/397376006.db2.gz PBWAXXQATGVHHN-GOEBONIOSA-N 1 0 311.426 0.372 10 30 DCEERO C=CCCSCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602532243 397432241 /nfs/dbraw/zinc/43/22/41/397432241.db2.gz VVLSGFNJQKZBQH-LJQANCHMSA-N 1 0 304.481 0.913 10 30 DCEERO CO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)[C@H](C[NH3+])C1 ZINC000262415518 158811962 /nfs/dbraw/zinc/81/19/62/158811962.db2.gz DMXZURRQSFWTPH-KBPBESRZSA-N 1 0 323.418 0.994 10 30 DCEERO CC[C@H](CO)[NH+]1CCN(CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000072797594 415412797 /nfs/dbraw/zinc/41/27/97/415412797.db2.gz QWQISSMKGDNYDG-HUUCEWRRSA-N 1 0 310.442 0.383 10 30 DCEERO C=C(C)CN(CC)C(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890469 415732966 /nfs/dbraw/zinc/73/29/66/415732966.db2.gz XRFQRJIKZLILKT-LBPRGKRZSA-N 1 0 303.428 0.035 10 30 DCEERO C=CCC[C@H](O)C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000127438974 415889849 /nfs/dbraw/zinc/88/98/49/415889849.db2.gz ZCBIOAXBVPUCFA-ZDUSSCGKSA-N 1 0 302.382 0.573 10 30 DCEERO C=CCN1CC[C@H]([N@H+]2C[C@@H](OC)C[C@H]2CC(=O)OCC)C1=O ZINC000337214420 415929496 /nfs/dbraw/zinc/92/94/96/415929496.db2.gz XLUKEUJYRRIPAT-IHRRRGAJSA-N 1 0 310.394 0.816 10 30 DCEERO CNC(=O)NC1CN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000328689446 416127472 /nfs/dbraw/zinc/12/74/72/416127472.db2.gz IBKPACGBOGTDDS-CYBMUJFWSA-N 1 0 311.430 0.838 10 30 DCEERO CO[C@@H]1C[C@@H](CO)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000329033181 416145006 /nfs/dbraw/zinc/14/50/06/416145006.db2.gz QKDIWTRWTIERLB-LSDHHAIUSA-N 1 0 311.426 0.651 10 30 DCEERO C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000329531440 416174001 /nfs/dbraw/zinc/17/40/01/416174001.db2.gz JIOWHNIYXBLUPH-RDBSUJKOSA-N 1 0 308.426 0.937 10 30 DCEERO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CC2CC(O)C2)CC1 ZINC000190216085 416275384 /nfs/dbraw/zinc/27/53/84/416275384.db2.gz VGJSURZTVCHUNQ-UYSNPLJNSA-N 1 0 322.453 0.381 10 30 DCEERO CN(CC(=O)OC(C)(C)C)C1CCN(CC(=O)NCC#N)CC1 ZINC000191980640 416293970 /nfs/dbraw/zinc/29/39/70/416293970.db2.gz NSZULSRNDAKHGK-UHFFFAOYSA-N 1 0 324.425 0.364 10 30 DCEERO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000491279271 416593354 /nfs/dbraw/zinc/59/33/54/416593354.db2.gz XNJUNQCOMQMPST-OAHLLOKOSA-N 1 0 304.394 0.586 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000363079536 416574000 /nfs/dbraw/zinc/57/40/00/416574000.db2.gz BNQULPZNSMOSLL-INIZCTEOSA-N 1 0 300.406 0.530 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000424549667 416663862 /nfs/dbraw/zinc/66/38/62/416663862.db2.gz RYYXDAQZMHCIEY-KKUMJFAQSA-N 1 0 323.437 0.718 10 30 DCEERO C=CCCn1cc(C(=O)NCCCC[NH+]2CCOCC2)nn1 ZINC000424586006 416665525 /nfs/dbraw/zinc/66/55/25/416665525.db2.gz DRFUTAMRJAJNAR-UHFFFAOYSA-N 1 0 307.398 0.696 10 30 DCEERO C[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C(N)=O ZINC000408048516 417138274 /nfs/dbraw/zinc/13/82/74/417138274.db2.gz MZSULHGEUBPOQG-CHWSQXEVSA-N 1 0 306.410 0.724 10 30 DCEERO C=CCCn1cc(C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)nn1 ZINC000570273501 417332834 /nfs/dbraw/zinc/33/28/34/417332834.db2.gz NLTOAGIISORHKR-LSDHHAIUSA-N 1 0 319.409 0.789 10 30 DCEERO C[NH+](C)CCN1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530670271 417589770 /nfs/dbraw/zinc/58/97/70/417589770.db2.gz LPHQYRFBWHHYCD-UHFFFAOYSA-N 1 0 300.406 0.807 10 30 DCEERO CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCc2ncnn2C1 ZINC000151020927 275803460 /nfs/dbraw/zinc/80/34/60/275803460.db2.gz OGKDZTIJGRPRRA-BXUZGUMPSA-N 1 0 324.454 0.016 10 30 DCEERO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884284 332255027 /nfs/dbraw/zinc/25/50/27/332255027.db2.gz WIXNZZQMFCUQGC-CABCVRRESA-N 1 0 318.425 0.998 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418825222 337417057 /nfs/dbraw/zinc/41/70/57/337417057.db2.gz JKACQAFVDKMVOP-SYQHCUMBSA-N 1 0 309.410 0.198 10 30 DCEERO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420118452 337495823 /nfs/dbraw/zinc/49/58/23/337495823.db2.gz MOFNAPQJGZRIRN-ZFWWWQNUSA-N 1 0 319.405 0.951 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](CC)CCC ZINC000425893930 338018459 /nfs/dbraw/zinc/01/84/59/338018459.db2.gz SSSDKWRNGQKDJE-KBPBESRZSA-N 1 0 311.426 0.542 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000425910363 338018870 /nfs/dbraw/zinc/01/88/70/338018870.db2.gz VKDLVVUNKJPRAD-KKUMJFAQSA-N 1 0 323.437 0.542 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000425909414 338018934 /nfs/dbraw/zinc/01/89/34/338018934.db2.gz OSLIXUPGENTPNX-ZNMIVQPWSA-N 1 0 323.437 0.636 10 30 DCEERO C=C(C)CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529325630 340753104 /nfs/dbraw/zinc/75/31/04/340753104.db2.gz KIKCYMDWKOXVIY-UHFFFAOYSA-N 1 0 309.414 0.305 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCc2ccc3c(c2)C(=O)NCC3)CCO1 ZINC000262439117 533787261 /nfs/dbraw/zinc/78/72/61/533787261.db2.gz HCUYZMPNZCVYLY-NSHDSACASA-N 1 0 302.378 0.508 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000425873847 534586482 /nfs/dbraw/zinc/58/64/82/534586482.db2.gz QMRHDGVFISZCIA-ILXRZTDVSA-N 1 0 323.437 0.542 10 30 DCEERO N#CCCCCS(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158936483 534604382 /nfs/dbraw/zinc/60/43/82/534604382.db2.gz VXPQCIIGCFUHCI-ZDUSSCGKSA-N 1 0 303.428 0.446 10 30 DCEERO C[NH+]=C(NCC1(C)CC1)N1CCN(c2nccn(C)c2=O)CC1 ZINC000262379494 526349839 /nfs/dbraw/zinc/34/98/39/526349839.db2.gz KFUJBMWHECPCME-UHFFFAOYSA-N 1 0 318.425 0.278 10 30 DCEERO C[NH+]=C(NCCc1nccs1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261790608 526366836 /nfs/dbraw/zinc/36/68/36/526366836.db2.gz QHJJTEDCZKUATF-HNNXBMFYSA-N 1 0 321.450 0.863 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261945837 526370083 /nfs/dbraw/zinc/37/00/83/526370083.db2.gz FURCEJOGULEYHJ-RYUDHWBXSA-N 1 0 317.455 0.232 10 30 DCEERO C[NH+]=C(NCc1ccccn1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261690426 526385114 /nfs/dbraw/zinc/38/51/14/526385114.db2.gz FCCZQJWULMNZCZ-INIZCTEOSA-N 1 0 301.394 0.759 10 30 DCEERO C=CCN1C(=O)c2ccc(C(=O)NC[C@H]([NH3+])C3CC3)cc2C1=O ZINC000261990327 526411447 /nfs/dbraw/zinc/41/14/47/526411447.db2.gz XXSNOXZTYCKCNR-AWEZNQCLSA-N 1 0 313.357 0.936 10 30 DCEERO C=CCNC(=O)CN1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000357122856 526537099 /nfs/dbraw/zinc/53/70/99/526537099.db2.gz BTNYUEDJFLEVGW-MRXNPFEDSA-N 1 0 308.470 0.781 10 30 DCEERO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000363624834 528638209 /nfs/dbraw/zinc/63/82/09/528638209.db2.gz NAUFAXPZKXGKMG-STQMWFEESA-N 1 0 300.428 0.493 10 30 DCEERO CC[NH+]1CCC(CCNS(=O)(=O)N(C)CCC#N)CC1 ZINC000360586319 528968692 /nfs/dbraw/zinc/96/86/92/528968692.db2.gz WRRCSTVXFFWDDO-UHFFFAOYSA-N 1 0 302.444 0.788 10 30 DCEERO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccnn2)CC1 ZINC000329272565 546045869 /nfs/dbraw/zinc/04/58/69/546045869.db2.gz AFBMLYWMLDJXBH-ZDUSSCGKSA-N 1 0 316.409 0.749 10 30 DCEERO CC[NH+]=C(NCC1(O)CCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261971617 661937391 /nfs/dbraw/zinc/93/73/91/661937391.db2.gz MVZGOISDWLUJQL-UHFFFAOYSA-N 1 0 317.455 0.376 10 30 DCEERO N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1C1CC1 ZINC000732699390 664952997 /nfs/dbraw/zinc/95/29/97/664952997.db2.gz ASHVPTGMMVBMSA-CWRNSKLLSA-N 1 0 317.437 0.995 10 30 DCEERO CC(=O)N1CSC[C@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000354884070 666588220 /nfs/dbraw/zinc/58/82/20/666588220.db2.gz LODAGGHNGIDTLF-ZDUSSCGKSA-N 1 0 312.439 0.602 10 30 DCEERO C#CCCNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000733674684 666796383 /nfs/dbraw/zinc/79/63/83/666796383.db2.gz ORTAAHFKTMZNEJ-UHFFFAOYSA-N 1 0 303.362 0.705 10 30 DCEERO CC[S@@](=O)CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000132748197 669743827 /nfs/dbraw/zinc/74/38/27/669743827.db2.gz XZRRZRDIADQVIL-IBGZPJMESA-N 1 0 314.432 0.690 10 30 DCEERO CC(C)(CNC(=[NH2+])NCCc1cccs1)NS(C)(=O)=O ZINC000304762081 685212354 /nfs/dbraw/zinc/21/23/54/685212354.db2.gz VHDVLEYZLMKTCU-UHFFFAOYSA-N 1 0 318.468 0.523 10 30 DCEERO [NH2+]=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC1CCCC1 ZINC000262146533 238170969 /nfs/dbraw/zinc/17/09/69/238170969.db2.gz QFWWCSYMCZVEQP-UHFFFAOYSA-N 1 0 321.469 0.778 10 30 DCEERO Cc1cccc(NC(=[NH2+])NCCNS(=O)(=O)NC(C)C)c1 ZINC000263292090 238186995 /nfs/dbraw/zinc/18/69/95/238186995.db2.gz WQQMWEXPHQSGHG-UHFFFAOYSA-N 1 0 313.427 0.554 10 30 DCEERO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000423651388 240232037 /nfs/dbraw/zinc/23/20/37/240232037.db2.gz VRPWFFQIMMSVES-FZMZJTMJSA-N 1 0 323.418 0.713 10 30 DCEERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093821072 193313298 /nfs/dbraw/zinc/31/32/98/193313298.db2.gz HVFQPNKTIBVAGA-OAHLLOKOSA-N 1 0 302.378 0.890 10 30 DCEERO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccccc2C#N)N(C)C1 ZINC000285249678 131150793 /nfs/dbraw/zinc/15/07/93/131150793.db2.gz YFFRQPSNYXBNRR-KBPBESRZSA-N 1 0 323.418 0.898 10 30 DCEERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1C ZINC000105824521 395781052 /nfs/dbraw/zinc/78/10/52/395781052.db2.gz PHYWKVBCTRUXPR-LSDHHAIUSA-N 1 0 321.425 0.029 10 30 DCEERO C=CC[C@@H](CO)NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000185300142 396324612 /nfs/dbraw/zinc/32/46/12/396324612.db2.gz ZCYRQNLMCCQDKI-LSDHHAIUSA-N 1 0 312.458 0.495 10 30 DCEERO CC[NH+]1CCN(CCCNC(=O)c2ccnc(C#N)c2)CC1 ZINC000192679545 396434448 /nfs/dbraw/zinc/43/44/48/396434448.db2.gz LTSNRUSIFRUIJN-UHFFFAOYSA-N 1 0 301.394 0.711 10 30 DCEERO CC[C@H]1CN(C(=O)c2ccnc(C#N)c2)CC[N@@H+]1C[C@@H](C)O ZINC000193379019 396450232 /nfs/dbraw/zinc/45/02/32/396450232.db2.gz KGYDRBGDNRZFFZ-DOMZBBRYSA-N 1 0 302.378 0.870 10 30 DCEERO C=CCn1cc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1 ZINC000581066763 396522863 /nfs/dbraw/zinc/52/28/63/396522863.db2.gz VTASHPPXCYQTJN-BETUJISGSA-N 1 0 304.398 0.605 10 30 DCEERO Cn1cc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cc1C#N ZINC000373615882 396603578 /nfs/dbraw/zinc/60/35/78/396603578.db2.gz NLFJSMYKYHOJHE-QGZVFWFLSA-N 1 0 318.421 0.868 10 30 DCEERO C=CCn1cc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)nn1 ZINC000617502401 396741346 /nfs/dbraw/zinc/74/13/46/396741346.db2.gz OAHLFAJSTSBGCK-ZDUSSCGKSA-N 1 0 308.430 0.466 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612389317 397041791 /nfs/dbraw/zinc/04/17/91/397041791.db2.gz QQKWTQHNDZZXHW-JKSUJKDBSA-N 1 0 323.437 0.827 10 30 DCEERO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)n1cnc(C#N)n1 ZINC000619612732 397159738 /nfs/dbraw/zinc/15/97/38/397159738.db2.gz FTIJBJUPCVHIKP-CHWSQXEVSA-N 1 0 302.382 0.798 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614071192 397375933 /nfs/dbraw/zinc/37/59/33/397375933.db2.gz PBWAXXQATGVHHN-ZBFHGGJFSA-N 1 0 311.426 0.372 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614071189 397376550 /nfs/dbraw/zinc/37/65/50/397376550.db2.gz PBWAXXQATGVHHN-GDBMZVCRSA-N 1 0 311.426 0.372 10 30 DCEERO C[NH+]1CCN(C[C@@H]2CN(c3cccnc3C#N)CCO2)CC1 ZINC000368183242 397415759 /nfs/dbraw/zinc/41/57/59/397415759.db2.gz GUKKQQPUSSUVQF-CQSZACIVSA-N 1 0 301.394 0.406 10 30 DCEERO C=CCCSCCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599955163 397551952 /nfs/dbraw/zinc/55/19/52/397551952.db2.gz GZGJKNUWVYUAAQ-LBPRGKRZSA-N 1 0 311.451 0.813 10 30 DCEERO COC(=O)[C@@H](C)C[N@H+](CC(=O)NCC#N)Cc1ccccc1 ZINC000066497368 415361131 /nfs/dbraw/zinc/36/11/31/415361131.db2.gz VCNUHBGPWSJRNC-ZDUSSCGKSA-N 1 0 303.362 0.937 10 30 DCEERO C#CCNC(=O)[C@@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865847 415637065 /nfs/dbraw/zinc/63/70/65/415637065.db2.gz XVEWPSXWNHXQAE-OAHLLOKOSA-N 1 0 317.437 0.292 10 30 DCEERO CC[C@H](O)C[NH+]1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000118857849 415736825 /nfs/dbraw/zinc/73/68/25/415736825.db2.gz LPPQLQQSFHWGIQ-HNNXBMFYSA-N 1 0 321.425 0.031 10 30 DCEERO Cc1ncc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1C#N ZINC000314688593 416112375 /nfs/dbraw/zinc/11/23/75/416112375.db2.gz CBWVFBHLTDBGRZ-ZDUSSCGKSA-N 1 0 306.391 0.730 10 30 DCEERO CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nn1 ZINC000329496780 416172778 /nfs/dbraw/zinc/17/27/78/416172778.db2.gz DXICXNSIUAXPRN-OIMNJJJWSA-N 1 0 323.397 0.652 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000340774637 416193557 /nfs/dbraw/zinc/19/35/57/416193557.db2.gz MGYULOZITVGOKF-HNNXBMFYSA-N 1 0 324.469 0.411 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)NCC(=O)NCc2ccco2)CC1 ZINC000358796264 416276904 /nfs/dbraw/zinc/27/69/04/416276904.db2.gz QIULHOYNETUNOS-UHFFFAOYSA-N 1 0 320.393 0.845 10 30 DCEERO COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000261724247 416335576 /nfs/dbraw/zinc/33/55/76/416335576.db2.gz ROKGZYFTOVFWRZ-JQWIXIFHSA-N 1 0 309.391 0.843 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000424537461 416661915 /nfs/dbraw/zinc/66/19/15/416661915.db2.gz CLQXRQOEYQRBDY-XEZPLFJOSA-N 1 0 309.410 0.200 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000424536231 416662155 /nfs/dbraw/zinc/66/21/55/416662155.db2.gz BEXXBJJHQMBHKB-RDBSUJKOSA-N 1 0 309.410 0.281 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000425653911 416717099 /nfs/dbraw/zinc/71/70/99/416717099.db2.gz PISNSAYKGXDXQZ-STQMWFEESA-N 1 0 307.398 1.157 10 30 DCEERO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452605 417418797 /nfs/dbraw/zinc/41/87/97/417418797.db2.gz OMIDVDNFPBDVIR-KBPBESRZSA-N 1 0 323.437 0.862 10 30 DCEERO CC1=CC[N@H+](CCNC(=O)NCCn2cnc(C#N)n2)CC1 ZINC000571233398 417438285 /nfs/dbraw/zinc/43/82/85/417438285.db2.gz FFOBJTSLRPZABC-UHFFFAOYSA-N 1 0 303.370 0.101 10 30 DCEERO C=CCn1cc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)nn1 ZINC000576153715 417584481 /nfs/dbraw/zinc/58/44/81/417584481.db2.gz GLLDVNKOCKOWRJ-CQSZACIVSA-N 1 0 302.382 0.620 10 30 DCEERO C[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000261954602 275404935 /nfs/dbraw/zinc/40/49/35/275404935.db2.gz IKOGJBPTWNKBJN-ZDUSSCGKSA-N 1 0 320.441 0.575 10 30 DCEERO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000374537555 298276828 /nfs/dbraw/zinc/27/68/28/298276828.db2.gz MSGIGRSZBMLNHT-UPJWGTAASA-N 1 0 300.428 0.491 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000425428469 334904662 /nfs/dbraw/zinc/90/46/62/334904662.db2.gz VWEILBAHESOMGM-GJZGRUSLSA-N 1 0 311.426 0.989 10 30 DCEERO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)ncn1 ZINC000105797797 335788160 /nfs/dbraw/zinc/78/81/60/335788160.db2.gz YLSRDNOLDHFREJ-QWHCGFSZSA-N 1 0 316.409 0.215 10 30 DCEERO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000079852149 341266793 /nfs/dbraw/zinc/26/67/93/341266793.db2.gz TVMNMOAORCHTBV-CYBMUJFWSA-N 1 0 308.426 0.795 10 30 DCEERO N#CC1(CS(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000183914615 534560670 /nfs/dbraw/zinc/56/06/70/534560670.db2.gz VOHQAICQVOPGHT-LBPRGKRZSA-N 1 0 301.412 0.056 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000425874959 534587737 /nfs/dbraw/zinc/58/77/37/534587737.db2.gz SGPFUFJRDQICQE-XQLPTFJDSA-N 1 0 321.421 0.437 10 30 DCEERO C[NH+]=C(NCC(=O)N(C)C)NCc1cn2cc(Cl)ccc2n1 ZINC000262196020 526345684 /nfs/dbraw/zinc/34/56/84/526345684.db2.gz HIFGMXHGEFTUPB-UHFFFAOYSA-N 1 0 322.800 0.741 10 30 DCEERO C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@H]1CCc2ncnn2C1 ZINC000262793205 526375933 /nfs/dbraw/zinc/37/59/33/526375933.db2.gz OUUQMZDDGHCHSV-KBPBESRZSA-N 1 0 320.441 0.699 10 30 DCEERO C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1CCC(=O)NC1 ZINC000261653115 526383773 /nfs/dbraw/zinc/38/37/73/526383773.db2.gz FFRJGORUNFEXJO-LBPRGKRZSA-N 1 0 304.398 0.091 10 30 DCEERO C[NH+]=C(NCc1ccnc(C)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000175527644 526386311 /nfs/dbraw/zinc/38/63/11/526386311.db2.gz IVFHCIYXCVKOIB-OAHLLOKOSA-N 1 0 318.425 0.267 10 30 DCEERO C#CCSCCNC(=[NH+]C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261746661 527135811 /nfs/dbraw/zinc/13/58/11/527135811.db2.gz LIUSLDGPOTYZOA-OAHLLOKOSA-N 1 0 308.451 0.530 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247259819 527635532 /nfs/dbraw/zinc/63/55/32/527635532.db2.gz ZSMPBFNCAVNLQI-JKSUJKDBSA-N 1 0 307.438 0.982 10 30 DCEERO CC(C)CNC(=[NH2+])NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262333005 527955222 /nfs/dbraw/zinc/95/52/22/527955222.db2.gz YLVBETQTERZQGD-GFCCVEGCSA-N 1 0 319.475 0.208 10 30 DCEERO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N+]12CCN(CC1)CC2 ZINC000007613046 717105236 /nfs/dbraw/zinc/10/52/36/717105236.db2.gz AOTBRMWZZYOFCT-CYBMUJFWSA-O 1 0 318.397 0.931 10 30 DCEERO CN1CCO[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262565270 529788148 /nfs/dbraw/zinc/78/81/48/529788148.db2.gz XSDOTIMRFMQLAF-OCCSQVGLSA-N 1 0 304.394 0.745 10 30 DCEERO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)CC(C)(C)CC#N)[C@H]2C1 ZINC000408461753 529808218 /nfs/dbraw/zinc/80/82/18/529808218.db2.gz WMIHFEALKIEDMC-QWHCGFSZSA-N 1 0 315.439 0.661 10 30 DCEERO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CC1(C#N)CC1 ZINC000180413241 237258547 /nfs/dbraw/zinc/25/85/47/237258547.db2.gz FHMPEOZACPBSAG-GFCCVEGCSA-N 1 0 301.412 0.320 10 30 DCEERO [NH2+]=C(NCc1ccncc1OCC(F)F)N1CCOCC1 ZINC000262796262 238182080 /nfs/dbraw/zinc/18/20/80/238182080.db2.gz PQBKRZVPYTUJBT-UHFFFAOYSA-N 1 0 300.309 0.872 10 30 DCEERO C[C@H](C[S@@](C)=O)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000168869524 291249364 /nfs/dbraw/zinc/24/93/64/291249364.db2.gz FOGLTGCAMVUOSQ-WYRIXSBYSA-N 1 0 314.432 0.689 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000375956672 239224414 /nfs/dbraw/zinc/22/44/14/239224414.db2.gz YHCKZBIDKDJYJV-OLZOCXBDSA-N 1 0 314.455 0.929 10 30 DCEERO COc1ccc(-n2cc(CNC(=[NH2+])N3CCOCC3)nn2)cc1 ZINC000262804246 533212113 /nfs/dbraw/zinc/21/21/13/533212113.db2.gz RSSFRBCCJDXNDW-UHFFFAOYSA-N 1 0 316.365 0.423 10 30 DCEERO CS(=O)(=O)N1CCCC[C@@H]1CNC(=[NH2+])N1CCSCC1 ZINC000262637276 533382617 /nfs/dbraw/zinc/38/26/17/533382617.db2.gz HAODVGNOMMYQHA-LLVKDONJSA-N 1 0 320.484 0.164 10 30 DCEERO COc1cccc(NC(=[NH2+])NC[C@H]2CS(=O)(=O)CCO2)c1 ZINC000262684676 533575079 /nfs/dbraw/zinc/57/50/79/533575079.db2.gz XZFWUNLVCJXKAV-LBPRGKRZSA-N 1 0 313.379 0.235 10 30 DCEERO CN(CC(N)=O)C[C@@H]1CN(Cc2cccc(C#N)c2)CCO1 ZINC000275842992 130396991 /nfs/dbraw/zinc/39/69/91/130396991.db2.gz WEKVLFVGWHLBJM-OAHLLOKOSA-N 1 0 302.378 0.176 10 30 DCEERO N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCCS3(=O)=O)n2c1 ZINC000131786499 395926136 /nfs/dbraw/zinc/92/61/36/395926136.db2.gz LUDIYAODBGOIBM-CYBMUJFWSA-N 1 0 304.375 0.873 10 30 DCEERO COc1ccc(C[N@@H+]2CC[C@@](O)(Cn3ccnn3)C2)cc1C#N ZINC000585793348 396656877 /nfs/dbraw/zinc/65/68/77/396656877.db2.gz QVYRGRVPNLAYJF-INIZCTEOSA-N 1 0 313.361 0.795 10 30 DCEERO C=CC[C@]1(C(=O)N2CCN([C@H](C)CC(=O)OC)CC2)CCC[NH2+]1 ZINC000595956540 396695343 /nfs/dbraw/zinc/69/53/43/396695343.db2.gz RFSYZXCXUIQUGI-RHSMWYFYSA-N 1 0 323.437 0.781 10 30 DCEERO C=C[C@@](C)(O)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617696244 396774861 /nfs/dbraw/zinc/77/48/61/396774861.db2.gz DZZNDQZBOLPDET-DOTOQJQBSA-N 1 0 304.390 0.806 10 30 DCEERO CN(C[C@H]1CC[N@H+](C)C1)C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329248646 396841662 /nfs/dbraw/zinc/84/16/62/396841662.db2.gz AKKUMJWMCRHOIK-RWMBFGLXSA-N 1 0 308.386 0.016 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000597444440 396974471 /nfs/dbraw/zinc/97/44/71/396974471.db2.gz ANBXFRXXPHZUSR-BFHYXJOUSA-N 1 0 313.467 0.961 10 30 DCEERO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)n1cnc(C#N)n1 ZINC000619614465 397159698 /nfs/dbraw/zinc/15/96/98/397159698.db2.gz DBOVHMSNYGKCTH-FRRDWIJNSA-N 1 0 302.382 0.653 10 30 DCEERO CCO[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1C[NH3+] ZINC000405844041 397332292 /nfs/dbraw/zinc/33/22/92/397332292.db2.gz GQPCJZRBESJQRG-MWLCHTKSSA-N 1 0 315.420 0.604 10 30 DCEERO C=C(C)C[C@H](NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C(=O)OC ZINC000602600548 397447167 /nfs/dbraw/zinc/44/71/67/397447167.db2.gz OMWGMRYIJHOVOP-RYUDHWBXSA-N 1 0 321.381 0.268 10 30 DCEERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000170843462 158377083 /nfs/dbraw/zinc/37/70/83/158377083.db2.gz CTUVAYGBUHEPLV-GFCCVEGCSA-N 1 0 304.325 0.798 10 30 DCEERO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000352624272 415251140 /nfs/dbraw/zinc/25/11/40/415251140.db2.gz WVIKNLWZDFGTEN-INIZCTEOSA-N 1 0 309.454 0.847 10 30 DCEERO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000075959898 415450288 /nfs/dbraw/zinc/45/02/88/415450288.db2.gz ZCRWIDXXINRAAT-HZPDHXFCSA-N 1 0 309.454 0.964 10 30 DCEERO C=CCCC[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000076733972 415457168 /nfs/dbraw/zinc/45/71/68/415457168.db2.gz QPWVAWMTXRAZHO-UHFFFAOYSA-N 1 0 305.382 0.332 10 30 DCEERO C#CCNC(=O)[C@@H](C)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864408 415635520 /nfs/dbraw/zinc/63/55/20/415635520.db2.gz QLEAPDVPQGZTSU-NEPJUHHUSA-N 1 0 305.382 0.195 10 30 DCEERO C=CCNC(=O)[C@@H](C)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109755847 415683847 /nfs/dbraw/zinc/68/38/47/415683847.db2.gz NAKDMQPABVFHOQ-CVEARBPZSA-N 1 0 308.470 0.779 10 30 DCEERO C#CCOCCC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000132351572 415933711 /nfs/dbraw/zinc/93/37/11/415933711.db2.gz JEQSLEVDUBXOLK-INIZCTEOSA-N 1 0 307.438 0.655 10 30 DCEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@@H](O)C(N)=O)CC1 ZINC000299749956 416064526 /nfs/dbraw/zinc/06/45/26/416064526.db2.gz MFFXKKIGXDRBNW-TZMCWYRMSA-N 1 0 311.426 0.358 10 30 DCEERO Cc1ncc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1C#N ZINC000314563374 416111864 /nfs/dbraw/zinc/11/18/64/416111864.db2.gz TXEMQROHUCAKHS-ZDUSSCGKSA-N 1 0 308.407 0.976 10 30 DCEERO C=CC[C@H](CO)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000341440927 416210973 /nfs/dbraw/zinc/21/09/73/416210973.db2.gz LQUIMWNYTDUSDC-RBSFLKMASA-N 1 0 311.426 0.600 10 30 DCEERO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc(-n2cncn2)c1 ZINC000329304336 416162680 /nfs/dbraw/zinc/16/26/80/416162680.db2.gz OIGJODZPERKSBV-OAHLLOKOSA-N 1 0 314.393 0.818 10 30 DCEERO N#CCCCC[C@@H]([NH3+])C(=O)Nc1n[nH]cc1Br ZINC000594467846 416564338 /nfs/dbraw/zinc/56/43/38/416564338.db2.gz HMEUCVAKCXFXKQ-MRVPVSSYSA-N 1 0 300.160 1.522 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000424539959 416661745 /nfs/dbraw/zinc/66/17/45/416661745.db2.gz FVLLQKGLODECHD-KBPBESRZSA-N 1 0 307.394 0.120 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000424537460 416662017 /nfs/dbraw/zinc/66/20/17/416662017.db2.gz CLQXRQOEYQRBDY-HEHGZKQESA-N 1 0 309.410 0.200 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000424547047 416663004 /nfs/dbraw/zinc/66/30/04/416663004.db2.gz OAOGNVBKMLHKMO-RQJABVFESA-N 1 0 309.410 0.280 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000424551610 416663613 /nfs/dbraw/zinc/66/36/13/416663613.db2.gz WJFNKAKIIKFICV-XUXIUFHCSA-N 1 0 309.410 0.280 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627421871 417402727 /nfs/dbraw/zinc/40/27/27/417402727.db2.gz VETPYQXDJBFCIN-RWMBFGLXSA-N 1 0 307.394 0.095 10 30 DCEERO Cn1c(C#N)ccc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000448869529 268112792 /nfs/dbraw/zinc/11/27/92/268112792.db2.gz APTWFTDUIGYOTK-LBPRGKRZSA-N 1 0 317.393 0.214 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128927312 276900259 /nfs/dbraw/zinc/90/02/59/276900259.db2.gz BKUXHGSJEVHYQZ-STQMWFEESA-N 1 0 305.382 0.968 10 30 DCEERO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)n1cnc(C#N)n1 ZINC000546255957 288017553 /nfs/dbraw/zinc/01/75/53/288017553.db2.gz XTFOSMAEBXDTIS-UPJWGTAASA-N 1 0 302.382 0.653 10 30 DCEERO C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)n1cnc(C#N)n1 ZINC000547386034 288042091 /nfs/dbraw/zinc/04/20/91/288042091.db2.gz CMSRSOITZANYBZ-OLZOCXBDSA-N 1 0 302.382 0.798 10 30 DCEERO CC[NH+]=C(NC[C@]1(C)CCOC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261773523 280842243 /nfs/dbraw/zinc/84/22/43/280842243.db2.gz OJBBRYGFRQNOTM-DLBZAZTESA-N 1 0 322.453 0.981 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000425443574 334908552 /nfs/dbraw/zinc/90/85/52/334908552.db2.gz AMGWAMAQMYRKIU-KBPBESRZSA-N 1 0 311.426 0.988 10 30 DCEERO CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)Cc2nnc(C)n2C)C1 ZINC000329892479 336092883 /nfs/dbraw/zinc/09/28/83/336092883.db2.gz JBMFSARHOBBFSV-CYBMUJFWSA-N 1 0 308.430 0.996 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000425890942 338018338 /nfs/dbraw/zinc/01/83/38/338018338.db2.gz XMAHZOFQVAMFCA-ZNMIVQPWSA-N 1 0 323.437 0.684 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000425873655 534592613 /nfs/dbraw/zinc/59/26/13/534592613.db2.gz KRZFEDGJEVACDF-ZNMIVQPWSA-N 1 0 311.426 0.724 10 30 DCEERO Cc1cccc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)c1C#N ZINC000157671841 524796153 /nfs/dbraw/zinc/79/61/53/524796153.db2.gz AHWSNHZFDYKVGB-CYBMUJFWSA-N 1 0 323.418 0.818 10 30 DCEERO C[NH+]=C(NCC(=O)NCc1ccco1)N1CC[C@]2(CCOC2)C1 ZINC000158044745 526348367 /nfs/dbraw/zinc/34/83/67/526348367.db2.gz IBPZQFCKNDWLOM-INIZCTEOSA-N 1 0 320.393 0.584 10 30 DCEERO C[NH+]=C(NCC1(O)CCC1)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000262803802 526352140 /nfs/dbraw/zinc/35/21/40/526352140.db2.gz RYWWKKDQYHMFBB-LBPRGKRZSA-N 1 0 320.441 0.796 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@H](COC)C1 ZINC000262754595 526373484 /nfs/dbraw/zinc/37/34/84/526373484.db2.gz CWGOXTSTCPNMBW-KBPBESRZSA-N 1 0 320.441 0.693 10 30 DCEERO C[NH+]=C(NC[C@H]1CCOC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158640101 526376892 /nfs/dbraw/zinc/37/68/92/526376892.db2.gz XLKLGIVMZCLCAA-LLVKDONJSA-N 1 0 303.428 0.107 10 30 DCEERO C[NH+]=C(NC[C@]1(C)CCOC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261730971 526378814 /nfs/dbraw/zinc/37/88/14/526378814.db2.gz JMUACGRBYZQVNM-JKSUJKDBSA-N 1 0 308.426 0.591 10 30 DCEERO C[NH+]=C(NCc1c[nH]nc1C)N1CCN(Cc2ccon2)CC1 ZINC000261690181 526380433 /nfs/dbraw/zinc/38/04/33/526380433.db2.gz FACPTQQHLIOQRX-UHFFFAOYSA-N 1 0 317.397 0.599 10 30 DCEERO C=CCNC(=[NH2+])NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000262806089 526388023 /nfs/dbraw/zinc/38/80/23/526388023.db2.gz SCVDEVHBMIXHIU-SMDDNHRTSA-N 1 0 304.398 0.338 10 30 DCEERO C[NH+]=C(NCc1noc(C)n1)N1CCN(Cc2ccon2)CC1 ZINC000152859084 526393723 /nfs/dbraw/zinc/39/37/23/526393723.db2.gz ZCMBCMSOWZJGHR-UHFFFAOYSA-N 1 0 319.369 0.259 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)NC2CCC(C(N)=O)CC2)CC1 ZINC000356096946 526430591 /nfs/dbraw/zinc/43/05/91/526430591.db2.gz SPMLQEJBBKTZOA-UHFFFAOYSA-N 1 0 308.426 0.980 10 30 DCEERO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O ZINC000369206773 526507437 /nfs/dbraw/zinc/50/74/37/526507437.db2.gz WNECTEVYAVAZCZ-CABCVRRESA-N 1 0 321.421 0.344 10 30 DCEERO CC[NH+]=C(NC1CCC1)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000261975345 528801553 /nfs/dbraw/zinc/80/15/53/528801553.db2.gz NOLNINWLCWQGSI-GFCCVEGCSA-N 1 0 306.414 0.847 10 30 DCEERO CC[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CCC(=O)N(C)C1 ZINC000262764896 528814223 /nfs/dbraw/zinc/81/42/23/528814223.db2.gz FWGHMFGZNHAHIP-BDAKNGLRSA-N 1 0 310.320 0.086 10 30 DCEERO CC[NH+]=C(NC[C@H]1CCOC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158612942 528814641 /nfs/dbraw/zinc/81/46/41/528814641.db2.gz CLWURFRSEIVHSI-GFCCVEGCSA-N 1 0 317.455 0.497 10 30 DCEERO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C#N)C2CC2)CC1=O ZINC000246316280 529076822 /nfs/dbraw/zinc/07/68/22/529076822.db2.gz ZDECWTIKBLGARB-RRFJBIMHSA-N 1 0 318.421 0.738 10 30 DCEERO CN(CC(=O)N1CC[NH2+]CC1)c1c(C#N)nnc2ccccc21 ZINC000261798355 661698736 /nfs/dbraw/zinc/69/87/36/661698736.db2.gz UNILSHIHCSXCQB-UHFFFAOYSA-N 1 0 310.361 0.369 10 30 DCEERO C[NH+]=C(NCc1cnc(N2CCOCC2)c(F)c1)NC1CC1 ZINC000184845249 666291917 /nfs/dbraw/zinc/29/19/17/666291917.db2.gz GNCGKCDPPLNQKU-UHFFFAOYSA-N 1 0 307.373 0.885 10 30 DCEERO C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCSC(C)(C)C1 ZINC000125794455 668424424 /nfs/dbraw/zinc/42/44/24/668424424.db2.gz WGXREFPFYSWVGJ-GFCCVEGCSA-N 1 0 300.472 0.720 10 30 DCEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)CCC(=O)N1CCOCC1 ZINC000121483198 671894868 /nfs/dbraw/zinc/89/48/68/671894868.db2.gz KFMITVWEQUVSNV-HNNXBMFYSA-N 1 0 324.421 0.902 10 30 DCEERO NC(=O)[C@H](CNC(=[NH2+])N1CCSCC1)Cc1ccc(F)cc1 ZINC000303879645 685208171 /nfs/dbraw/zinc/20/81/71/685208171.db2.gz JSWZKUDISXGCHC-LBPRGKRZSA-N 1 0 324.425 0.833 10 30 DCEERO COc1ccc(OC)c(NC(=O)C[N+]23CCN(CC2)CC3)c1 ZINC000007613169 717105372 /nfs/dbraw/zinc/10/53/72/717105372.db2.gz OEDDVLXLSJEJLJ-UHFFFAOYSA-O 1 0 306.386 0.788 10 30 DCEERO O=C(C[N+]12CCN(CC1)CC2)Nc1cccc2nsnc21 ZINC000029221113 717116888 /nfs/dbraw/zinc/11/68/88/717116888.db2.gz UXLOVLXBRUSIAB-UHFFFAOYSA-O 1 0 304.399 0.776 10 30 DCEERO CCc1ccc(NC(=[NH2+])NC[C@H]2CS(=O)(=O)CCO2)cc1 ZINC000262687330 529662460 /nfs/dbraw/zinc/66/24/60/529662460.db2.gz YVFHVAMNUXJLCA-ZDUSSCGKSA-N 1 0 311.407 0.789 10 30 DCEERO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)CCCCC#N)[C@H]2C1 ZINC000408028283 529807894 /nfs/dbraw/zinc/80/78/94/529807894.db2.gz PFQVTYPBIPDVPP-QWHCGFSZSA-N 1 0 301.412 0.415 10 30 DCEERO Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000172676422 198135208 /nfs/dbraw/zinc/13/52/08/198135208.db2.gz HGYMLIJZRWIPHG-CQSZACIVSA-N 1 0 323.418 0.818 10 30 DCEERO Cc1nnc(CNC(=[NH+]C[C@H]2CCCO2)N2CCCC2)n1C ZINC000261995948 238170014 /nfs/dbraw/zinc/17/00/14/238170014.db2.gz SIPBHRYAPMPGPT-CYBMUJFWSA-N 1 0 306.414 0.844 10 30 DCEERO Cc1cc(CNC(=[NH2+])NC[C@@H]2CCCO2)nc(N2CCCC2)n1 ZINC000262706675 238179180 /nfs/dbraw/zinc/17/91/80/238179180.db2.gz NIADCIVPDALKOL-AWEZNQCLSA-N 1 0 318.425 0.969 10 30 DCEERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000329491605 285019417 /nfs/dbraw/zinc/01/94/17/285019417.db2.gz VOZVKYUCXAUFRD-NEPJUHHUSA-N 1 0 314.386 0.247 10 30 DCEERO C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000177678597 396181400 /nfs/dbraw/zinc/18/14/00/396181400.db2.gz BTBQIJQWKAYOHO-AWEZNQCLSA-N 1 0 316.361 0.286 10 30 DCEERO C[NH+]1CCN(CCNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000187414917 396369483 /nfs/dbraw/zinc/36/94/83/396369483.db2.gz VLTKTKZSFYNZCL-UHFFFAOYSA-N 1 0 312.417 0.953 10 30 DCEERO C[C@@H](C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)n1cnc(C#N)n1 ZINC000561348597 396639727 /nfs/dbraw/zinc/63/97/27/396639727.db2.gz OQRSRDZVYDUGQW-AGIUHOORSA-N 1 0 302.382 0.796 10 30 DCEERO C=CC[C@]1(C(=O)N2CCN(CCC(=O)OC)[C@H](C)C2)CCC[NH2+]1 ZINC000595956050 396695622 /nfs/dbraw/zinc/69/56/22/396695622.db2.gz JBRQQKJORCPYTG-RHSMWYFYSA-N 1 0 323.437 0.781 10 30 DCEERO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000585803671 396659364 /nfs/dbraw/zinc/65/93/64/396659364.db2.gz VYZGTXIJUNSNEG-INIZCTEOSA-N 1 0 313.361 0.795 10 30 DCEERO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3CC[N@@H+](C)C[C@H]31)CC2 ZINC000329471105 396845067 /nfs/dbraw/zinc/84/50/67/396845067.db2.gz ZHECWMRSDJHJNN-BFHYXJOUSA-N 1 0 318.425 0.841 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CC[N@@H+](CCOC)CC1(C)C ZINC000593098285 397325360 /nfs/dbraw/zinc/32/53/60/397325360.db2.gz BIMBJZWDVLRFPY-UHFFFAOYSA-N 1 0 312.414 0.041 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CCN(CCO)C[C@@H]2C)CC1 ZINC000458319349 397428912 /nfs/dbraw/zinc/42/89/12/397428912.db2.gz GASYMEHUNNVQMK-AWEZNQCLSA-N 1 0 310.442 0.345 10 30 DCEERO C[NH+]1CCN(C[C@H]2CN(c3cccnc3C#N)CCO2)CC1 ZINC000368183241 397415744 /nfs/dbraw/zinc/41/57/44/397415744.db2.gz GUKKQQPUSSUVQF-AWEZNQCLSA-N 1 0 301.394 0.406 10 30 DCEERO N#Cc1ccnc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000407999691 160006852 /nfs/dbraw/zinc/00/68/52/160006852.db2.gz YDGHIQYEMKGVCQ-UHFFFAOYSA-N 1 0 300.362 0.890 10 30 DCEERO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@H]1C(N)=O ZINC000408473665 160116514 /nfs/dbraw/zinc/11/65/14/160116514.db2.gz GZCPVPFLGWDQQF-BXUZGUMPSA-N 1 0 300.362 0.228 10 30 DCEERO C[C@@H](O)CN1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000329567817 287087330 /nfs/dbraw/zinc/08/73/30/287087330.db2.gz TWIYSDOSYQUTDD-GDBMZVCRSA-N 1 0 324.469 0.916 10 30 DCEERO N#C[C@@H]1C[C@H](F)CN1C(=O)C[NH2+][C@@H]1CC[C@H](Cn2cncn2)C1 ZINC000043129721 415214335 /nfs/dbraw/zinc/21/43/35/415214335.db2.gz JSYGLDMGERSRPC-FQUUOJAGSA-N 1 0 320.372 0.499 10 30 DCEERO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CCCCC#N ZINC000068912634 415401363 /nfs/dbraw/zinc/40/13/63/415401363.db2.gz LVDMYEGENZHEQW-CYBMUJFWSA-N 1 0 303.428 0.710 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105882691 415634460 /nfs/dbraw/zinc/63/44/60/415634460.db2.gz ANNMQUXOFLCZGP-GFCCVEGCSA-N 1 0 306.370 0.002 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000105823630 415638068 /nfs/dbraw/zinc/63/80/68/415638068.db2.gz HKNUTQUQEKDJOE-XHSDSOJGSA-N 1 0 309.454 0.962 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000284316334 415593945 /nfs/dbraw/zinc/59/39/45/415593945.db2.gz ZLRCPTYLRMUECG-HNNXBMFYSA-N 1 0 313.467 0.965 10 30 DCEERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2OCC#N)CCO1 ZINC000116794693 415726907 /nfs/dbraw/zinc/72/69/07/415726907.db2.gz FZRUPXNWZKQXSV-CYBMUJFWSA-N 1 0 303.362 0.992 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCCO2)CC1 ZINC000343892226 415769296 /nfs/dbraw/zinc/76/92/96/415769296.db2.gz OUMZWXIOOHEDCL-HNNXBMFYSA-N 1 0 323.437 0.781 10 30 DCEERO C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000354417623 415798299 /nfs/dbraw/zinc/79/82/99/415798299.db2.gz BKTVQRTWBCFJER-KGLIPLIRSA-N 1 0 314.451 0.942 10 30 DCEERO C=CCN1CC[C@H](N2CCN(c3cc[nH+]cc3OC)CC2)C1=O ZINC000337235901 415934631 /nfs/dbraw/zinc/93/46/31/415934631.db2.gz LLBIYOQBVROGRH-HNNXBMFYSA-N 1 0 316.405 0.999 10 30 DCEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@H](O)C(N)=O)CC1 ZINC000299749955 416064227 /nfs/dbraw/zinc/06/42/27/416064227.db2.gz MFFXKKIGXDRBNW-OCCSQVGLSA-N 1 0 311.426 0.358 10 30 DCEERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@@H](C)C1 ZINC000174003614 416072694 /nfs/dbraw/zinc/07/26/94/416072694.db2.gz ALJGEECQSXHHDV-FZMZJTMJSA-N 1 0 308.407 0.960 10 30 DCEERO C=CCN(CCOC)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000357026774 416023969 /nfs/dbraw/zinc/02/39/69/416023969.db2.gz GHDRWKPQVPRRMD-GOOCMWNKSA-N 1 0 323.437 0.779 10 30 DCEERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C3(C#N)CCOCC3)[C@H]2C1 ZINC000329563869 416177228 /nfs/dbraw/zinc/17/72/28/416177228.db2.gz SCCDJNXWZXXCQE-UONOGXRCSA-N 1 0 307.394 0.628 10 30 DCEERO O=C(NCCN1CCNC(=O)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000329303598 416162347 /nfs/dbraw/zinc/16/23/47/416162347.db2.gz NYKSCKCTNDNGMB-CYBMUJFWSA-N 1 0 309.414 0.343 10 30 DCEERO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329364988 416165294 /nfs/dbraw/zinc/16/52/94/416165294.db2.gz JTKGJRVPWHTVJX-VXGBXAGGSA-N 1 0 314.455 0.500 10 30 DCEERO C=CCNC(=O)CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416189396 416361128 /nfs/dbraw/zinc/36/11/28/416361128.db2.gz KQDTUYMGNWNBMH-UHFFFAOYSA-N 1 0 301.390 0.853 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418821272 416391113 /nfs/dbraw/zinc/39/11/13/416391113.db2.gz GEADFUMQHYYUKH-MCIONIFRSA-N 1 0 309.410 0.342 10 30 DCEERO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC12COC2 ZINC000451137838 417307707 /nfs/dbraw/zinc/30/77/07/417307707.db2.gz PQKYKPQSMOVECG-CHWSQXEVSA-N 1 0 323.393 0.258 10 30 DCEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627290589 417334142 /nfs/dbraw/zinc/33/41/42/417334142.db2.gz UVRITZFWFJJBQO-IHRRRGAJSA-N 1 0 321.421 0.485 10 30 DCEERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nccc(C#N)n2)CC1 ZINC000296946634 277045437 /nfs/dbraw/zinc/04/54/37/277045437.db2.gz BVMACYMJJXJADZ-OAHLLOKOSA-N 1 0 300.410 0.955 10 30 DCEERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000328988568 288125480 /nfs/dbraw/zinc/12/54/80/288125480.db2.gz FBROKOJDBWKGGI-RUZUBIRVSA-N 1 0 320.397 0.204 10 30 DCEERO CC[NH+]=C(NCC(C)(C)C(N)=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261695063 280836826 /nfs/dbraw/zinc/83/68/26/280836826.db2.gz FNPOBZLANGWSKN-INIZCTEOSA-N 1 0 323.441 0.066 10 30 DCEERO C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)n1cnc(C#N)n1 ZINC000561348601 288541170 /nfs/dbraw/zinc/54/11/70/288541170.db2.gz OQRSRDZVYDUGQW-UPJWGTAASA-N 1 0 302.382 0.796 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000563032767 333093734 /nfs/dbraw/zinc/09/37/34/333093734.db2.gz YWWWCDIIRNXRHG-KBXIAJHMSA-N 1 0 311.426 0.674 10 30 DCEERO C=CCOCCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000376844797 337042631 /nfs/dbraw/zinc/04/26/31/337042631.db2.gz LRJOLWRQTSQDGN-HUUCEWRRSA-N 1 0 323.437 0.638 10 30 DCEERO C=CCNC(=O)CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418753646 337395464 /nfs/dbraw/zinc/39/54/64/337395464.db2.gz AGAHTFOWTYLXED-UHFFFAOYSA-N 1 0 320.437 0.741 10 30 DCEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CCC(=O)NC1 ZINC000261604060 337606547 /nfs/dbraw/zinc/60/65/47/337606547.db2.gz CYQXIMRIDSDDSV-OSRDXIQISA-N 1 0 320.437 0.778 10 30 DCEERO C=CCCS(=O)(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528059071 337786428 /nfs/dbraw/zinc/78/64/28/337786428.db2.gz CSGLZQLAZVEGAE-CQSZACIVSA-N 1 0 302.440 0.983 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000424547009 337858101 /nfs/dbraw/zinc/85/81/01/337858101.db2.gz NWTVEBMGMGMZEI-KBPBESRZSA-N 1 0 323.437 0.862 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000425891847 338018527 /nfs/dbraw/zinc/01/85/27/338018527.db2.gz PQKCEOIQCKIYHN-OSRDXIQISA-N 1 0 321.421 0.293 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000425908571 338018779 /nfs/dbraw/zinc/01/87/79/338018779.db2.gz IQSBUSXTZICLMD-IHRRRGAJSA-N 1 0 309.410 0.294 10 30 DCEERO C[NH+]=C(NC1CCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261803038 526344039 /nfs/dbraw/zinc/34/40/39/526344039.db2.gz RRGYOWSBLYXXIF-OAHLLOKOSA-N 1 0 307.398 0.424 10 30 DCEERO C[NH+]=C(NC1CCC1)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000262781862 526344533 /nfs/dbraw/zinc/34/45/33/526344533.db2.gz LHXQDXNPHIIWOE-UHFFFAOYSA-N 1 0 321.469 0.744 10 30 DCEERO C[NH+]=C(NCCN1CCC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261840558 526356123 /nfs/dbraw/zinc/35/61/23/526356123.db2.gz WNHAAEBDCQTVMW-AWEZNQCLSA-N 1 0 306.414 0.075 10 30 DCEERO C[NH+]=C(NCCn1ccnc1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261703247 526367750 /nfs/dbraw/zinc/36/77/50/526367750.db2.gz GKCFFLBAFULZGS-OAHLLOKOSA-N 1 0 304.398 0.061 10 30 DCEERO C[NH+]=C(NCc1ccccn1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262429987 526385379 /nfs/dbraw/zinc/38/53/79/526385379.db2.gz DVRGGVJCYYLOAD-OAHLLOKOSA-N 1 0 303.410 0.564 10 30 DCEERO C[NH+]=C(NCc1nc(C)no1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261988369 526390341 /nfs/dbraw/zinc/39/03/41/526390341.db2.gz SAARNWVJEMNQBH-UHFFFAOYSA-N 1 0 322.413 0.785 10 30 DCEERO C[NH+]=C(NCc1nc(C)no1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261797085 526390593 /nfs/dbraw/zinc/39/05/93/526390593.db2.gz RBQZXIPPHIFZKJ-GFCCVEGCSA-N 1 0 319.369 0.260 10 30 DCEERO C[NH+]=C(NCc1scnc1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000262429416 526393550 /nfs/dbraw/zinc/39/35/50/526393550.db2.gz DMFGKPPTQFSHJC-CYBMUJFWSA-N 1 0 323.466 0.933 10 30 DCEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261840973 526394694 /nfs/dbraw/zinc/39/46/94/526394694.db2.gz WFNWTWHVQDOASS-GFCCVEGCSA-N 1 0 304.398 0.443 10 30 DCEERO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000366457618 526524678 /nfs/dbraw/zinc/52/46/78/526524678.db2.gz GZKONMBLFSOBRO-WMLDXEAASA-N 1 0 324.421 0.923 10 30 DCEERO C=CCOCCNC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000367870295 526777129 /nfs/dbraw/zinc/77/71/29/526777129.db2.gz MCCQCJOZDAVAMY-HNNXBMFYSA-N 1 0 310.442 0.610 10 30 DCEERO C=CCOCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000374818579 526778494 /nfs/dbraw/zinc/77/84/94/526778494.db2.gz KZSCXVLJSNQGSB-CQSZACIVSA-N 1 0 311.426 0.989 10 30 DCEERO C=CCCS(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000161477424 527404696 /nfs/dbraw/zinc/40/46/96/527404696.db2.gz JHERPWDJXFKPIQ-CYBMUJFWSA-N 1 0 304.456 0.917 10 30 DCEERO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2C[C@H](OC)C[NH2+]2)c1 ZINC000189214716 527450596 /nfs/dbraw/zinc/45/05/96/527450596.db2.gz QQBDQMJVGNCELD-LSDHHAIUSA-N 1 0 315.373 0.442 10 30 DCEERO CCC(=O)N1CC[C@@H](NC(NCC(=O)NC(C)(C)C)=[NH+]C)C1 ZINC000261952007 528342975 /nfs/dbraw/zinc/34/29/75/528342975.db2.gz HQYBPNBRBUXFKS-LLVKDONJSA-N 1 0 311.430 0.077 10 30 DCEERO CC[NH+]=C(NC[C@@H](C)N(C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261977403 528809971 /nfs/dbraw/zinc/80/99/71/528809971.db2.gz NZUYWKSUYXCKNE-GFCCVEGCSA-N 1 0 318.487 0.411 10 30 DCEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCN2CCNC(=O)C2)C1 ZINC000329301935 529085872 /nfs/dbraw/zinc/08/58/72/529085872.db2.gz NFXKHCPKMCKBEX-OLZOCXBDSA-N 1 0 311.430 0.491 10 30 DCEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nnc2n1CCC2 ZINC000329366609 546047756 /nfs/dbraw/zinc/04/77/56/546047756.db2.gz GYGICZYZSRINQM-VXGBXAGGSA-N 1 0 304.398 0.807 10 30 DCEERO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N+]12CCN(CC1)CC2 ZINC000015454167 717111771 /nfs/dbraw/zinc/11/17/71/717111771.db2.gz XMFVCOTWEHGLLZ-NSHDSACASA-O 1 0 316.385 0.329 10 30 DCEERO C[NH+]=C(NCCN1CCOCC1)N[C@H]1COc2ccccc21 ZINC000185150772 530039495 /nfs/dbraw/zinc/03/94/95/530039495.db2.gz SDTBEVOMEPQLBA-AWEZNQCLSA-N 1 0 304.394 0.617 10 30 DCEERO C[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)[NH+]1CCCCCC1 ZINC000408066141 295733139 /nfs/dbraw/zinc/73/31/39/295733139.db2.gz VEWXBJJBQVAERI-AWEZNQCLSA-N 1 0 306.410 0.835 10 30 DCEERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2ccnc2C#N)C1 ZINC000179860379 199088923 /nfs/dbraw/zinc/08/89/23/199088923.db2.gz YSEUXZUSGOLWEE-CYBMUJFWSA-N 1 0 305.382 0.228 10 30 DCEERO [NH2+]=C(NCc1ncnn1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000262427496 238173466 /nfs/dbraw/zinc/17/34/66/238173466.db2.gz VYXGNMPFZSOHQH-ZDUSSCGKSA-N 1 0 300.366 0.851 10 30 DCEERO Cc1cc(CNC(=[NH2+])N2CCO[C@@H](C)C2)nc(N2CCCC2)n1 ZINC000262725617 238179398 /nfs/dbraw/zinc/17/93/98/238179398.db2.gz YWPSJGAGNRKOAH-ZDUSSCGKSA-N 1 0 318.425 0.921 10 30 DCEERO [NH2+]=C(NCCc1cnc2c(Cl)cnn2c1)N1CCOCC1 ZINC000263175763 238186157 /nfs/dbraw/zinc/18/61/57/238186157.db2.gz SRRXDNADTZHCCV-UHFFFAOYSA-N 1 0 308.773 0.572 10 30 DCEERO N#CCN(CC#N)c1ncnc(NCC[NH+]2CCCCC2)c1N ZINC000040736529 183126453 /nfs/dbraw/zinc/12/64/53/183126453.db2.gz SULJBHOUUJCLEO-UHFFFAOYSA-N 1 0 314.397 0.810 10 30 DCEERO CC[C@H]1CN(CC(=O)N(CC)CCC#N)CC[N@@H+]1C[C@@H](C)O ZINC000105827470 395781374 /nfs/dbraw/zinc/78/13/74/395781374.db2.gz DVPWJJCVLMFRBL-CABCVRRESA-N 1 0 310.442 0.526 10 30 DCEERO C[N@H+]1C[C@H]2CN(C[C@@H](O)COc3ccc(C#N)cc3)C[C@H]2C1 ZINC000193611939 395773924 /nfs/dbraw/zinc/77/39/24/395773924.db2.gz RDTWQEBIIZIZBG-OWCLPIDISA-N 1 0 301.390 0.791 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000171870867 396126822 /nfs/dbraw/zinc/12/68/22/396126822.db2.gz LICLDCRAKVQWIM-CYBMUJFWSA-N 1 0 304.398 0.543 10 30 DCEERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000178855689 396210753 /nfs/dbraw/zinc/21/07/53/396210753.db2.gz ACSNDAZEAQMXQN-LLVKDONJSA-N 1 0 304.325 0.798 10 30 DCEERO C=CCOCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000594731177 396502533 /nfs/dbraw/zinc/50/25/33/396502533.db2.gz GEEWRTWGNYMJRO-UHFFFAOYSA-N 1 0 309.391 0.909 10 30 DCEERO N#Cc1ccc(OCC[N@H+]2CC[C@](O)(Cn3ccnn3)C2)cc1 ZINC000585803731 396659603 /nfs/dbraw/zinc/65/96/03/396659603.db2.gz YISMOGOIGLFAPB-MRXNPFEDSA-N 1 0 313.361 0.666 10 30 DCEERO C=CCSCCNC(=O)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000597218209 396916462 /nfs/dbraw/zinc/91/64/62/396916462.db2.gz MCJJCFCBYITECP-ZDUSSCGKSA-N 1 0 313.467 0.965 10 30 DCEERO COc1ccc(C[N@@H+]2CCC[C@@](O)(CC(N)=O)C2)cc1C#N ZINC000591632032 396950562 /nfs/dbraw/zinc/95/05/62/396950562.db2.gz SCYZFGHDGHWNEB-MRXNPFEDSA-N 1 0 303.362 0.769 10 30 DCEERO C=CCOCCCNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000611946958 396956048 /nfs/dbraw/zinc/95/60/48/396956048.db2.gz DLYWXEPIKNAZEI-UHFFFAOYSA-N 1 0 316.361 0.659 10 30 DCEERO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000591678957 396975981 /nfs/dbraw/zinc/97/59/81/396975981.db2.gz LDDXAADTZZZFRJ-MJBXVCDLSA-N 1 0 302.378 0.614 10 30 DCEERO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000469011797 397447259 /nfs/dbraw/zinc/44/72/59/397447259.db2.gz PIHPGJCKNIGXTB-RBSFLKMASA-N 1 0 323.437 0.671 10 30 DCEERO Cc1oc(NC(=O)CN2C[C@H]3OCCN(C)[C@H]3C2)c(C#N)c1C ZINC000120946002 158205448 /nfs/dbraw/zinc/20/54/48/158205448.db2.gz LOEPJVPVCLSBJX-UONOGXRCSA-N 1 0 318.377 0.721 10 30 DCEERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)nc1 ZINC000246058540 287075973 /nfs/dbraw/zinc/07/59/73/287075973.db2.gz DEGJLMBCROCJGG-BXUZGUMPSA-N 1 0 308.407 0.914 10 30 DCEERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC(C#N)CC2)C1 ZINC000057906234 415338131 /nfs/dbraw/zinc/33/81/31/415338131.db2.gz BPYMUUBPWUTFPO-INIZCTEOSA-N 1 0 322.453 0.695 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000353105786 415439493 /nfs/dbraw/zinc/43/94/93/415439493.db2.gz AWKPMJJRVMBMGX-UHFFFAOYSA-N 1 0 324.469 0.553 10 30 DCEERO C=CCN(CC=C)C(=O)CN1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000105825158 415637423 /nfs/dbraw/zinc/63/74/23/415637423.db2.gz XGJVQLXDHUJJTO-CVEARBPZSA-N 1 0 309.454 0.964 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000106271573 415641384 /nfs/dbraw/zinc/64/13/84/415641384.db2.gz ITLOGYBYMCGCCK-HNNXBMFYSA-N 1 0 310.442 0.657 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CCO[C@H](Cn3cccn3)C2)CC1 ZINC000111086294 415685824 /nfs/dbraw/zinc/68/58/24/415685824.db2.gz BIVGUJWWBGIRFW-INIZCTEOSA-N 1 0 316.405 0.456 10 30 DCEERO C=CCCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000289376705 415705727 /nfs/dbraw/zinc/70/57/27/415705727.db2.gz KCPOJYVZIPLIBD-UONOGXRCSA-N 1 0 311.426 0.636 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128927082 415903589 /nfs/dbraw/zinc/90/35/89/415903589.db2.gz BKUXHGSJEVHYQZ-OLZOCXBDSA-N 1 0 305.382 0.968 10 30 DCEERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@@H](C)CC#N)C1 ZINC000129590895 415909578 /nfs/dbraw/zinc/90/95/78/415909578.db2.gz JBAWQJIUMZLKFO-LSDHHAIUSA-N 1 0 310.442 0.693 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000424553188 416663792 /nfs/dbraw/zinc/66/37/92/416663792.db2.gz ZELBNEGLUPOQDU-XUXIUFHCSA-N 1 0 309.410 0.327 10 30 DCEERO C=C(C)Cn1c(-c2cn[nH]n2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000623166403 416760271 /nfs/dbraw/zinc/76/02/71/416760271.db2.gz YOYFEROLWWWWNG-UHFFFAOYSA-N 1 0 314.397 0.924 10 30 DCEERO CC(C)[C@H](CNC(=O)c1ccc(C#N)n1C)[NH+]1CCN(C)CC1 ZINC000448971977 417112063 /nfs/dbraw/zinc/11/20/63/417112063.db2.gz QOBHCIPQLHZBFN-INIZCTEOSA-N 1 0 317.437 0.899 10 30 DCEERO C=CCNC(=O)CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633153598 417380304 /nfs/dbraw/zinc/38/03/04/417380304.db2.gz SQKWSZUHXWPOGX-UHFFFAOYSA-N 1 0 308.426 0.949 10 30 DCEERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(C#N)cn1C ZINC000186036340 267150465 /nfs/dbraw/zinc/15/04/65/267150465.db2.gz RGSYCVUEBAZEBV-CYBMUJFWSA-N 1 0 303.410 0.653 10 30 DCEERO C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262373094 277749332 /nfs/dbraw/zinc/74/93/32/277749332.db2.gz FRBLMQGOCORAJV-UHTWSYAYSA-N 1 0 310.442 0.880 10 30 DCEERO C[C@@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)n1cnc(C#N)n1 ZINC000560760437 288518669 /nfs/dbraw/zinc/51/86/69/288518669.db2.gz OPCQXRUOPQZSOY-FRRDWIJNSA-N 1 0 302.382 0.796 10 30 DCEERO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884281 332254978 /nfs/dbraw/zinc/25/49/78/332254978.db2.gz WIXNZZQMFCUQGC-GJZGRUSLSA-N 1 0 318.425 0.998 10 30 DCEERO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330080331 336111870 /nfs/dbraw/zinc/11/18/70/336111870.db2.gz OZYKTMRTBWCGHX-BFYDXBDKSA-N 1 0 324.469 0.773 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000424542454 337856392 /nfs/dbraw/zinc/85/63/92/337856392.db2.gz IKNUGFYKAVCMLL-AHDPXTMNSA-N 1 0 321.421 0.280 10 30 DCEERO C=CC[C@H](CO)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000545991720 341149996 /nfs/dbraw/zinc/14/99/96/341149996.db2.gz GKOYIEVKELHYQO-CYBMUJFWSA-N 1 0 304.394 0.500 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C)n2)CC1 ZINC000550811958 341323500 /nfs/dbraw/zinc/32/35/00/341323500.db2.gz WWTRFTIURLQAPP-UHFFFAOYSA-N 1 0 316.405 0.773 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000425880997 534586256 /nfs/dbraw/zinc/58/62/56/534586256.db2.gz KIQXWEBKQNVVPG-OBJOEFQTSA-N 1 0 309.410 0.293 10 30 DCEERO C[NH+]=C(NCCN1CCC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261933281 526356700 /nfs/dbraw/zinc/35/67/00/526356700.db2.gz LSZGTGHPONAUJV-UHFFFAOYSA-N 1 0 309.458 0.599 10 30 DCEERO C[NH+]=C(NCCc1ccco1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158604354 526364194 /nfs/dbraw/zinc/36/41/94/526364194.db2.gz VSKNHCOQNPEFAJ-UHFFFAOYSA-N 1 0 313.423 0.907 10 30 DCEERO C[NH+]=C(NC[C@@H](OC)C(C)(C)C)N1CCN(C2CC2)C(=O)C1 ZINC000262817372 526368763 /nfs/dbraw/zinc/36/87/63/526368763.db2.gz WZQBLIOHGIHJTC-CYBMUJFWSA-N 1 0 310.442 0.930 10 30 DCEERO C[NH+]=C(NC[C@@H]1CN(C)CCO1)NC[C@](C)(O)c1ccc(C)o1 ZINC000262490239 526373442 /nfs/dbraw/zinc/37/34/42/526373442.db2.gz ZHAMGPWZZUJGQJ-CJNGLKHVSA-N 1 0 324.425 0.291 10 30 DCEERO C[NH+]=C(NCc1nccs1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261719469 526391190 /nfs/dbraw/zinc/39/11/90/526391190.db2.gz IEJQECXVOXBWOR-CQSZACIVSA-N 1 0 307.423 0.821 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178300883 526589622 /nfs/dbraw/zinc/58/96/22/526589622.db2.gz SGOOEBQQRPXBFM-CYBMUJFWSA-N 1 0 305.382 0.668 10 30 DCEERO C#CCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000362739366 526732833 /nfs/dbraw/zinc/73/28/33/526732833.db2.gz ZVCLDUYOFOAHIT-XYPWUTKMSA-N 1 0 304.438 0.962 10 30 DCEERO C=CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000248534223 527205537 /nfs/dbraw/zinc/20/55/37/527205537.db2.gz ZPEPUPDSVMXQAX-RRFJBIMHSA-N 1 0 323.437 0.372 10 30 DCEERO CC(C)NS(=O)(=O)c1cccc(CNC(=[NH2+])NC2CC2)c1 ZINC000261901637 527760517 /nfs/dbraw/zinc/76/05/17/527760517.db2.gz WBSQHDCKRYADOZ-UHFFFAOYSA-N 1 0 310.423 0.940 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CCc2nc(C)nn2C1 ZINC000262808698 528809081 /nfs/dbraw/zinc/80/90/81/528809081.db2.gz ULMFGJCHAVDVNS-IHRRRGAJSA-N 1 0 320.441 0.617 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424545965 660946173 /nfs/dbraw/zinc/94/61/73/660946173.db2.gz MFKGWKKDZSEPRS-HEHGZKQESA-N 1 0 307.394 0.048 10 30 DCEERO [NH2+]=C(NCCN1C(=O)Cc2ccccc21)NC[C@@H]1CCCO1 ZINC000066245734 662103449 /nfs/dbraw/zinc/10/34/49/662103449.db2.gz IJESHPCREYZLMD-ZDUSSCGKSA-N 1 0 302.378 0.659 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@H]1O)N1CCN(C(=O)C(C)C)CC1 ZINC000262764258 662571530 /nfs/dbraw/zinc/57/15/30/662571530.db2.gz FHNCTPNOJBOIFK-LSDHHAIUSA-N 1 0 324.469 0.913 10 30 DCEERO C[NH+]=C(NC[C@H]1CN(C)CCO1)N(C)CCC1CCOCC1 ZINC000158835741 664522901 /nfs/dbraw/zinc/52/29/01/664522901.db2.gz JFNBCETVNHPRLI-HNNXBMFYSA-N 1 0 312.458 0.641 10 30 DCEERO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000732703929 664954238 /nfs/dbraw/zinc/95/42/38/664954238.db2.gz NWAILFRWZMOYEP-UKRRQHHQSA-N 1 0 305.426 0.710 10 30 DCEERO COc1ccc(CCNC(=[NH2+])NC[C@]2(CCO)CCOC2)cc1 ZINC000124027884 667886383 /nfs/dbraw/zinc/88/63/83/667886383.db2.gz CJRDDLGKZUROBX-KRWDZBQOSA-N 1 0 321.421 0.931 10 30 DCEERO COc1cccc(C(F)(F)CNC(=[NH2+])N2CCOCC2)n1 ZINC000262624765 238177775 /nfs/dbraw/zinc/17/77/75/238177775.db2.gz DENNVJYQGZOBSR-UHFFFAOYSA-N 1 0 300.309 0.829 10 30 DCEERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCOC[C@@H]2c2ncnn2C)C1 ZINC000328878134 285262030 /nfs/dbraw/zinc/26/20/30/285262030.db2.gz KVQJNBJHWGCXHK-QWHCGFSZSA-N 1 0 322.413 0.587 10 30 DCEERO CO[C@@H]1COC[C@H]1n1cc(CNC(=[NH2+])N2CCC[C@@H](C)C2)nn1 ZINC000262341137 533524118 /nfs/dbraw/zinc/52/41/18/533524118.db2.gz XBOCYGIMFOPBAA-MRVWCRGKSA-N 1 0 322.413 0.411 10 30 DCEERO C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000262634691 533634095 /nfs/dbraw/zinc/63/40/95/533634095.db2.gz GMWYHOJOFRTYHH-CHWSQXEVSA-N 1 0 316.471 0.847 10 30 DCEERO C=CCNC(=O)CN1CC[NH+](CCCC(=O)NCCC)CC1 ZINC000580960362 396514952 /nfs/dbraw/zinc/51/49/52/396514952.db2.gz LIXBPIDZWMYQLW-UHFFFAOYSA-N 1 0 310.442 0.213 10 30 DCEERO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595716749 396650761 /nfs/dbraw/zinc/65/07/61/396650761.db2.gz CZJOBKXXRLXDFZ-PBFPGSCMSA-N 1 0 324.421 0.967 10 30 DCEERO C=C[C@@](C)(O)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617696245 396774434 /nfs/dbraw/zinc/77/44/34/396774434.db2.gz DZZNDQZBOLPDET-NVXWUHKLSA-N 1 0 304.390 0.806 10 30 DCEERO C=CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 ZINC000630795437 397106716 /nfs/dbraw/zinc/10/67/16/397106716.db2.gz DFBQSSNLQHYGRD-MELADBBJSA-N 1 0 314.451 0.918 10 30 DCEERO C=C(C)C[C@H](NC(=O)CCN1CC[NH+](CC)CC1)C(=O)OC ZINC000601781726 397244086 /nfs/dbraw/zinc/24/40/86/397244086.db2.gz KPCJWCKEGQUGEO-AWEZNQCLSA-N 1 0 311.426 0.638 10 30 DCEERO Cc1ncc(S(=O)(=O)N2CCC([NH+](C)C)CC2)cc1C#N ZINC000386756857 397289472 /nfs/dbraw/zinc/28/94/72/397289472.db2.gz DYBWRYLGEPDZAP-UHFFFAOYSA-N 1 0 308.407 0.976 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CC1 ZINC000593340501 397353516 /nfs/dbraw/zinc/35/35/16/397353516.db2.gz YNVWURVPDURPQO-DGCWBMGLSA-N 1 0 311.451 0.942 10 30 DCEERO C=C(C)C[C@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)C(=O)OC ZINC000602599408 397446833 /nfs/dbraw/zinc/44/68/33/397446833.db2.gz IZRHBRMWAMQZKF-MFKMUULPSA-N 1 0 306.366 0.724 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1CC ZINC000614202108 397398698 /nfs/dbraw/zinc/39/86/98/397398698.db2.gz KQXAAHSOVXQIKC-STQMWFEESA-N 1 0 310.398 0.235 10 30 DCEERO C=CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000594431916 397548673 /nfs/dbraw/zinc/54/86/73/397548673.db2.gz SKZSJNWHBPLXHT-QWHCGFSZSA-N 1 0 313.423 0.599 10 30 DCEERO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)CN1CCOCC1 ZINC000352801089 415329902 /nfs/dbraw/zinc/32/99/02/415329902.db2.gz QSBZGSVMYNCJCB-OAHLLOKOSA-N 1 0 324.421 0.843 10 30 DCEERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000104076326 415621702 /nfs/dbraw/zinc/62/17/02/415621702.db2.gz AFNQXUAJMSLGTN-QWHCGFSZSA-N 1 0 305.382 0.228 10 30 DCEERO C[NH+](C)C[C@H]1CN(C(=O)COc2ccccc2C#N)CCO1 ZINC000116786788 415728901 /nfs/dbraw/zinc/72/89/01/415728901.db2.gz IQYCICZYZNQEFY-AWEZNQCLSA-N 1 0 303.362 0.726 10 30 DCEERO O=C(NCc1nnc2n1CCC2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000329121883 416150983 /nfs/dbraw/zinc/15/09/83/416150983.db2.gz QTVUOBDUVUNGRP-GFCCVEGCSA-N 1 0 304.398 0.808 10 30 DCEERO [O-]C(=[NH+][C@H]1COC[C@H]1n1ccnn1)N1CC[NH+](CC2CC2)CC1 ZINC000329371586 416166474 /nfs/dbraw/zinc/16/64/74/416166474.db2.gz IZWBJEVZDWOOKV-UONOGXRCSA-N 1 0 320.397 0.160 10 30 DCEERO C=CC[C@H](CO)NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000341440926 416210998 /nfs/dbraw/zinc/21/09/98/416210998.db2.gz LQUIMWNYTDUSDC-QLFBSQMISA-N 1 0 311.426 0.600 10 30 DCEERO C=CC[C@@H](CO)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000342171741 416289721 /nfs/dbraw/zinc/28/97/21/416289721.db2.gz AKXFGKWRZUTRIK-CQSZACIVSA-N 1 0 318.421 0.748 10 30 DCEERO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000360251031 416382282 /nfs/dbraw/zinc/38/22/82/416382282.db2.gz KTQOMWJVDIQPLZ-NEPJUHHUSA-N 1 0 304.398 0.899 10 30 DCEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418821270 416391166 /nfs/dbraw/zinc/39/11/66/416391166.db2.gz GEADFUMQHYYUKH-IHRRRGAJSA-N 1 0 309.410 0.342 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](CC(N)=O)C2)CC1 ZINC000623579085 416846413 /nfs/dbraw/zinc/84/64/13/416846413.db2.gz MPGQKEOUBXQEIS-AWEZNQCLSA-N 1 0 324.425 0.313 10 30 DCEERO C=CCNC(=O)CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623862296 416909679 /nfs/dbraw/zinc/90/96/79/416909679.db2.gz QPCQRFBQBKEVKZ-UHFFFAOYSA-N 1 0 324.425 0.185 10 30 DCEERO CNC(=O)[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(C)C ZINC000183675512 261116268 /nfs/dbraw/zinc/11/62/68/261116268.db2.gz AUAZQALNHZWJRA-HIFRSBDPSA-N 1 0 305.378 0.658 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@H]1O)N1CCC(C(=O)OC)CC1 ZINC000085770768 280840761 /nfs/dbraw/zinc/84/07/61/280840761.db2.gz RURLRWMUHWPEQJ-UONOGXRCSA-N 1 0 311.426 0.998 10 30 DCEERO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000563084020 333354712 /nfs/dbraw/zinc/35/47/12/333354712.db2.gz AFRXHTGEZTUEOY-ZNMIVQPWSA-N 1 0 311.426 0.866 10 30 DCEERO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)ncn1 ZINC000105797800 335788245 /nfs/dbraw/zinc/78/82/45/335788245.db2.gz YLSRDNOLDHFREJ-CHWSQXEVSA-N 1 0 316.409 0.215 10 30 DCEERO COc1ccc2c3c1O[C@H]1C(=O)C=C[C@@]4([NH3+])[C@@H](C2)N(C)CC[C@]314 ZINC000584607066 337371821 /nfs/dbraw/zinc/37/18/21/337371821.db2.gz UJRPISFPVNXKJY-XFKAJCMBSA-N 1 0 312.369 0.791 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000566104397 341547758 /nfs/dbraw/zinc/54/77/58/341547758.db2.gz ULBGGSKHRLVVGK-MHEUCROKSA-N 1 0 319.409 0.447 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCc2ccc(S(C)(=O)=O)s2)CCO1 ZINC000262469234 533788341 /nfs/dbraw/zinc/78/83/41/533788341.db2.gz OJICATORQPJFGV-VIFPVBQESA-N 1 0 317.436 0.687 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCc2ccnc(-n3cccn3)c2)CCO1 ZINC000262464836 534272148 /nfs/dbraw/zinc/27/21/48/534272148.db2.gz NKBDLKSKIJYSTL-GFCCVEGCSA-N 1 0 300.366 0.803 10 30 DCEERO CC[C@@H]1CN(C(=O)c2ccnc(C#N)c2)CC[N@@H+]1C[C@H](C)O ZINC000249090639 523427277 /nfs/dbraw/zinc/42/72/77/523427277.db2.gz KGYDRBGDNRZFFZ-SWLSCSKDSA-N 1 0 302.378 0.870 10 30 DCEERO C[NH+]=C(NCC(=O)NC(C)(C)C)N1CCC[C@H](CC(N)=O)C1 ZINC000261815322 526345590 /nfs/dbraw/zinc/34/55/90/526345590.db2.gz TUTRHBWACNBPJJ-LLVKDONJSA-N 1 0 311.430 0.064 10 30 DCEERO C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000262800479 526351160 /nfs/dbraw/zinc/35/11/60/526351160.db2.gz RABJSTIBUCEIIB-GFCCVEGCSA-N 1 0 320.441 0.796 10 30 DCEERO C[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@H](Oc2ccccn2)C1 ZINC000262021366 526373407 /nfs/dbraw/zinc/37/34/07/526373407.db2.gz YVSIMBTUIMJILX-UONOGXRCSA-N 1 0 320.393 0.526 10 30 DCEERO C[NH+]=C(NC[C@@]1(O)CCSC1)N(C)CC(=O)NC(C)(C)C ZINC000262440667 526374780 /nfs/dbraw/zinc/37/47/80/526374780.db2.gz UPAFJOHWEWWZGK-AWEZNQCLSA-N 1 0 316.471 0.276 10 30 DCEERO C[NH+]=C(NCc1c[nH]nc1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000262458310 526381519 /nfs/dbraw/zinc/38/15/19/526381519.db2.gz LSFGQVRGAXBCHW-CQSZACIVSA-N 1 0 306.414 0.200 10 30 DCEERO C[NH+]=C(NCc1cccc(O)c1)N1CCN(C2CC2)C(=O)C1 ZINC000262803362 526383604 /nfs/dbraw/zinc/38/36/04/526383604.db2.gz RSYVWKQUOVLTDP-UHFFFAOYSA-N 1 0 302.378 0.774 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CCC(=O)NC1 ZINC000261736047 526395982 /nfs/dbraw/zinc/39/59/82/526395982.db2.gz YUOPMSJIUDGDHO-WVWOOGAGSA-N 1 0 306.410 0.388 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CC[C@H](N3CCOCC3)C2)CC1 ZINC000173892484 526429804 /nfs/dbraw/zinc/42/98/04/526429804.db2.gz BSJWWYLPTPNEJC-INIZCTEOSA-N 1 0 322.453 0.753 10 30 DCEERO C#CCSCCNC(=[NH+]C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261746659 527135128 /nfs/dbraw/zinc/13/51/28/527135128.db2.gz LIUSLDGPOTYZOA-HNNXBMFYSA-N 1 0 308.451 0.530 10 30 DCEERO CCC(=O)N1CC[C@H](NC(NCc2cccc(OC)n2)=[NH+]C)C1 ZINC000261949368 528369326 /nfs/dbraw/zinc/36/93/26/528369326.db2.gz GWMAJSRYBBAYIU-ZDUSSCGKSA-N 1 0 319.409 0.766 10 30 DCEERO CC[NH+]=C(NCC1(O)CCCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261785213 528804222 /nfs/dbraw/zinc/80/42/22/528804222.db2.gz PSROJEWIWWCWNO-MRXNPFEDSA-N 1 0 322.453 0.859 10 30 DCEERO CC[NH+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCc2nnc(C)n2C1 ZINC000262402420 528814745 /nfs/dbraw/zinc/81/47/45/528814745.db2.gz HSNPBAGUJAQUQB-UONOGXRCSA-N 1 0 320.441 0.883 10 30 DCEERO CN(CC(=O)N1CC[NH2+]CC1)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000262355093 657639732 /nfs/dbraw/zinc/63/97/32/657639732.db2.gz VPWIXVABAMHOKA-UHFFFAOYSA-N 1 0 303.322 0.334 10 30 DCEERO CC[C@H]1CN(C(=O)NCc2cnnn2C)CC[N@@H+]1CCOC ZINC000329281824 661736995 /nfs/dbraw/zinc/73/69/95/661736995.db2.gz FBQUUFSAIZGEDG-LBPRGKRZSA-N 1 0 310.402 0.272 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCCO1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000073776174 666549050 /nfs/dbraw/zinc/54/90/50/666549050.db2.gz OCCSWLRUEIJBNO-UONOGXRCSA-N 1 0 324.425 0.064 10 30 DCEERO C[NH+]=C(NCCN1CCOCC1)NCc1cc(F)ccc1OC ZINC000186864116 666602646 /nfs/dbraw/zinc/60/26/46/666602646.db2.gz VTVZQULGKZMANB-UHFFFAOYSA-N 1 0 324.400 0.832 10 30 DCEERO CS(=O)(=O)N1CC[C@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000133862380 667487898 /nfs/dbraw/zinc/48/78/98/667487898.db2.gz JZMXWVFHAOUMBE-LLVKDONJSA-N 1 0 302.444 0.505 10 30 DCEERO Cc1c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cnn1CCC#N ZINC000826719403 668138591 /nfs/dbraw/zinc/13/85/91/668138591.db2.gz ZIVXLHVIUJSMBD-GJZGRUSLSA-N 1 0 317.393 0.650 10 30 DCEERO C[C@H]1CCCN(C(=[NH2+])NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000303708256 685206280 /nfs/dbraw/zinc/20/62/80/685206280.db2.gz MZFIPFCZHGUKAJ-NSHDSACASA-N 1 0 310.423 0.881 10 30 DCEERO COc1ccc(NC(=O)NC(=O)C[N+]23CCN(CC2)CC3)cc1 ZINC000025200465 717113651 /nfs/dbraw/zinc/11/36/51/717113651.db2.gz NBIDZVBWIZDDCH-UHFFFAOYSA-O 1 0 319.385 0.489 10 30 DCEERO CN(C)C(=O)c1ccc(NC(=O)C[N+]23CCN(CC2)CC3)cc1 ZINC000029221429 717116787 /nfs/dbraw/zinc/11/67/87/717116787.db2.gz YJGFWLHLGCZSMI-UHFFFAOYSA-O 1 0 317.413 0.473 10 30 DCEERO O=C(C[N+]12CCN(CC1)CC2)NC(=O)NCc1cccs1 ZINC000029224992 717117509 /nfs/dbraw/zinc/11/75/09/717117509.db2.gz OOIWNRHFBFLYID-UHFFFAOYSA-O 1 0 309.415 0.220 10 30 DCEERO CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000709407639 939713822 /nfs/dbraw/zinc/71/38/22/939713822.db2.gz UMZGIKKEZXFQRX-VXGBXAGGSA-N 1 0 301.412 0.433 10 30 DCEERO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)CCC#N)CC1 ZINC000408456365 530052725 /nfs/dbraw/zinc/05/27/25/530052725.db2.gz HZGGEJYXVYZPQN-CQSZACIVSA-N 1 0 314.455 0.332 10 30 DCEERO C=CCNC(=O)c1ccc(N2CC[NH+](C[C@@H](O)CC)CC2)nc1 ZINC000172819596 198154085 /nfs/dbraw/zinc/15/40/85/198154085.db2.gz VSBKWVICCZVPBV-HNNXBMFYSA-N 1 0 318.421 0.890 10 30 DCEERO [NH2+]=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N1CCN(c2ncccn2)CC1 ZINC000262812267 238181943 /nfs/dbraw/zinc/18/19/43/238181943.db2.gz OGRFGNVVSUVLAH-MCIONIFRSA-N 1 0 316.409 0.481 10 30 DCEERO [NH2+]=C(NC[C@H]1CC[C@@H](CO)O1)N[C@@H]1CCOc2ccccc21 ZINC000262662545 238178251 /nfs/dbraw/zinc/17/82/51/238178251.db2.gz YZFQIAHNCZCAKH-MBNYWOFBSA-N 1 0 305.378 0.954 10 30 DCEERO Cn1cc(Br)c(CNC(=[NH2+])N2CCOCC2)n1 ZINC000263096608 238185069 /nfs/dbraw/zinc/18/50/69/238185069.db2.gz JMKHNJPCRSHDII-UHFFFAOYSA-N 1 0 302.176 0.330 10 30 DCEERO CC(C)NC(=O)CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060480596 184150557 /nfs/dbraw/zinc/15/05/57/184150557.db2.gz WCZBRSUEVVIRGX-UHFFFAOYSA-N 1 0 301.394 0.990 10 30 DCEERO C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCO1 ZINC000177674787 396181355 /nfs/dbraw/zinc/18/13/55/396181355.db2.gz OFIIEINNWMHNRX-AWEZNQCLSA-N 1 0 316.361 0.286 10 30 DCEERO C=CC[C@@H](CO)NC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000183684465 396273325 /nfs/dbraw/zinc/27/33/25/396273325.db2.gz XRWGMLYQEOTLRC-GJZGRUSLSA-N 1 0 312.458 0.496 10 30 DCEERO N#Cc1cc(Br)ccc1CN1CC[C@@](O)(C(N)=O)C1 ZINC000287647406 396413813 /nfs/dbraw/zinc/41/38/13/396413813.db2.gz GNKNDMGWYWBHON-ZDUSSCGKSA-N 1 0 324.178 0.743 10 30 DCEERO C[C@@H](C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)n1cnc(C#N)n1 ZINC000560760436 396625085 /nfs/dbraw/zinc/62/50/85/396625085.db2.gz OPCQXRUOPQZSOY-AGIUHOORSA-N 1 0 302.382 0.796 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)OC)O2)CC1 ZINC000601041212 396996849 /nfs/dbraw/zinc/99/68/49/396996849.db2.gz VWOOORCKEUWTMB-MRVWCRGKSA-N 1 0 310.394 0.720 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000612003147 396979279 /nfs/dbraw/zinc/97/92/79/396979279.db2.gz FQHGMUKVJLGHKI-MJBXVCDLSA-N 1 0 323.437 0.683 10 30 DCEERO C=C(C)C[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000630972434 397149104 /nfs/dbraw/zinc/14/91/04/397149104.db2.gz VYOUUKRHEFUBHU-CHWSQXEVSA-N 1 0 322.409 0.460 10 30 DCEERO C[C@@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619598023 397155266 /nfs/dbraw/zinc/15/52/66/397155266.db2.gz ARNLJYHATGYZNB-GXTWGEPZSA-N 1 0 316.409 0.901 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592168081 397112096 /nfs/dbraw/zinc/11/20/96/397112096.db2.gz HCOSEIAGDJRVSJ-QCNOEVLYSA-N 1 0 315.439 0.885 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478438 397186900 /nfs/dbraw/zinc/18/69/00/397186900.db2.gz CMTXLEJLTMYGHT-BFHYXJOUSA-N 1 0 308.426 0.851 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000425455909 397404737 /nfs/dbraw/zinc/40/47/37/397404737.db2.gz VHCMCBUMPPFPCN-ZNMIVQPWSA-N 1 0 311.426 0.988 10 30 DCEERO Cn1cc(C#N)cc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000081790461 158086174 /nfs/dbraw/zinc/08/61/74/158086174.db2.gz UFERGYDCGHPYLQ-ZDUSSCGKSA-N 1 0 302.378 0.691 10 30 DCEERO C[C@@H](Oc1ccccc1C#N)C(=O)NCCN1CC[NH+](C)CC1 ZINC000075712960 415452176 /nfs/dbraw/zinc/45/21/76/415452176.db2.gz BCPAAODMGFCNFB-CQSZACIVSA-N 1 0 316.405 0.689 10 30 DCEERO C#CCNC(=O)[C@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000105868505 415635951 /nfs/dbraw/zinc/63/59/51/415635951.db2.gz BSSDHQNXHIUYLN-ZDUSSCGKSA-N 1 0 317.393 0.135 10 30 DCEERO C[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)N1CCOCC1 ZINC000110626040 415685092 /nfs/dbraw/zinc/68/50/92/415685092.db2.gz SGDQOXJFIBNVCX-CQSZACIVSA-N 1 0 317.389 0.968 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N(C[C@H](C)O)C(C)C)CC1 ZINC000343740730 415706501 /nfs/dbraw/zinc/70/65/01/415706501.db2.gz OVINMLMWIOBWRZ-ZDUSSCGKSA-N 1 0 311.426 0.371 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000343760741 415713484 /nfs/dbraw/zinc/71/34/84/415713484.db2.gz FIFHEZGIVOXHIS-MJBXVCDLSA-N 1 0 323.437 0.777 10 30 DCEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000174003603 416072147 /nfs/dbraw/zinc/07/21/47/416072147.db2.gz ALJGEECQSXHHDV-RISCZKNCSA-N 1 0 308.407 0.960 10 30 DCEERO CNC(=O)C[NH+]1CCC(CN(C)c2cccc(C#N)n2)CC1 ZINC000301389508 416083335 /nfs/dbraw/zinc/08/33/35/416083335.db2.gz YHYLQBSITVCGIL-UHFFFAOYSA-N 1 0 301.394 0.847 10 30 DCEERO CN1CCO[C@H]2CCN(C(=O)Nc3ccn(CCC#N)n3)C[C@@H]21 ZINC000329040826 416146097 /nfs/dbraw/zinc/14/60/97/416146097.db2.gz SOZZYZDXIHYJLN-STQMWFEESA-N 1 0 318.381 0.734 10 30 DCEERO C[C@@H]1C[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C[N@@H+]1C1CC1 ZINC000329099621 416149548 /nfs/dbraw/zinc/14/95/48/416149548.db2.gz ZELYWSHTMFVOMA-UVLXDEKHSA-N 1 0 320.397 0.347 10 30 DCEERO COCC[NH+]1CCC(NC(=O)N2CCc3cncnc3C2)CC1 ZINC000329307460 416164020 /nfs/dbraw/zinc/16/40/20/416164020.db2.gz ZEIBKLKRAAZYOL-UHFFFAOYSA-N 1 0 319.409 0.860 10 30 DCEERO CNC(=O)CN1CCCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000365897819 416612895 /nfs/dbraw/zinc/61/28/95/416612895.db2.gz YVBPEYWJFRJELE-UHFFFAOYSA-N 1 0 317.349 0.725 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000424553184 416663659 /nfs/dbraw/zinc/66/36/59/416663659.db2.gz ZELBNEGLUPOQDU-FQUUOJAGSA-N 1 0 309.410 0.327 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000425910975 416735714 /nfs/dbraw/zinc/73/57/14/416735714.db2.gz ZMUQZWWBEIFGAU-QPSCCSFWSA-N 1 0 323.437 0.635 10 30 DCEERO CCOC(=O)[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC12COC2 ZINC000451145790 417306895 /nfs/dbraw/zinc/30/68/95/417306895.db2.gz ZGLFLFZUWWHDBC-CYBMUJFWSA-N 1 0 323.393 0.260 10 30 DCEERO C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627304066 417341000 /nfs/dbraw/zinc/34/10/00/417341000.db2.gz KUSDJPPKTNMRRI-GXTWGEPZSA-N 1 0 317.389 0.734 10 30 DCEERO C=C(C)CN(CC)C(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000574166895 417482388 /nfs/dbraw/zinc/48/23/88/417482388.db2.gz WZYAQJOHXDPAMN-UHFFFAOYSA-N 1 0 311.426 0.638 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)NCCOC(C)(C)C)CC1 ZINC000561414343 332448840 /nfs/dbraw/zinc/44/88/40/332448840.db2.gz WUGVTOOIPSTFPS-UHFFFAOYSA-N 1 0 311.426 0.684 10 30 DCEERO CNC(=O)CNC(N[C@H]1CCN(c2ncccc2Cl)C1)=[NH+]C ZINC000262015407 526347284 /nfs/dbraw/zinc/34/72/84/526347284.db2.gz XPSDNWHVAWRRJL-JTQLQIEISA-N 1 0 324.816 0.225 10 30 DCEERO CNC(=O)CNC(NCc1ncoc1-c1ccccc1)=[NH+]C ZINC000261985853 526347764 /nfs/dbraw/zinc/34/77/64/526347764.db2.gz QBOUKUMZBSCBKS-UHFFFAOYSA-N 1 0 301.350 0.753 10 30 DCEERO C[NH+]=C(NCC(=O)Nc1ccc(F)cc1)NCC(=O)N(C)C ZINC000262232170 526348134 /nfs/dbraw/zinc/34/81/34/526348134.db2.gz NEZRJDHYHMHLRF-UHFFFAOYSA-N 1 0 309.345 0.017 10 30 DCEERO C[NH+]=C(NCCc1ccncc1C)N1CCN(C2CC2)C(=O)C1 ZINC000261823552 526364216 /nfs/dbraw/zinc/36/42/16/526364216.db2.gz UPGVOBXPTBLBPW-UHFFFAOYSA-N 1 0 315.421 0.815 10 30 DCEERO C[NH+]=C(NCCn1ccnc1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000262493602 526367243 /nfs/dbraw/zinc/36/72/43/526367243.db2.gz VQIKRIHZEVNHDB-OAHLLOKOSA-N 1 0 320.441 0.173 10 30 DCEERO C[NH+]=C(NCc1cccc(OC)n1)NC1CCN(C(C)=O)CC1 ZINC000262257637 526383839 /nfs/dbraw/zinc/38/38/39/526383839.db2.gz QQAPVDSVSXHCER-UHFFFAOYSA-N 1 0 319.409 0.766 10 30 DCEERO C[NH+]=C(NCc1nc(C)no1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261797088 526390408 /nfs/dbraw/zinc/39/04/08/526390408.db2.gz RBQZXIPPHIFZKJ-LBPRGKRZSA-N 1 0 319.369 0.260 10 30 DCEERO C[NH+]=C(NCc1nnc2ccccn21)N1CC[C@@]2(CCOC2)C1 ZINC000158072832 526392241 /nfs/dbraw/zinc/39/22/41/526392241.db2.gz IYYFLBUPEABOJL-MRXNPFEDSA-N 1 0 314.393 0.917 10 30 DCEERO C[NH+]=C(NCc1nncn1C)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000261664450 526393363 /nfs/dbraw/zinc/39/33/63/526393363.db2.gz BIBRSXIBODKFGG-SNVBAGLBSA-N 1 0 318.429 0.462 10 30 DCEERO C[NH+]=C(NCc1noc(C)n1)NCc1nnc2ccccn21 ZINC000262547490 526393383 /nfs/dbraw/zinc/39/33/83/526393383.db2.gz SJIIBNCDZLTJNB-UHFFFAOYSA-N 1 0 300.326 0.286 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1CCC(=O)NC1 ZINC000262384832 526394610 /nfs/dbraw/zinc/39/46/10/526394610.db2.gz LCLDWXATWGDEPO-WVWOOGAGSA-N 1 0 308.426 0.634 10 30 DCEERO C[NH+]=C(NCC1(SC)CCOCC1)N[C@H]1CCC(=O)NC1 ZINC000262809119 526412610 /nfs/dbraw/zinc/41/26/10/526412610.db2.gz SYKUQUFUPBEZJR-NSHDSACASA-N 1 0 314.455 0.342 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000261970220 526535715 /nfs/dbraw/zinc/53/57/15/526535715.db2.gz YXKFMAXMRXJONF-HNNXBMFYSA-N 1 0 322.453 0.211 10 30 DCEERO C=C(C)CNC(=[NH2+])NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262248023 526575393 /nfs/dbraw/zinc/57/53/93/526575393.db2.gz CSGIAYYAGIFAEN-GFCCVEGCSA-N 1 0 317.459 0.128 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178300869 526589781 /nfs/dbraw/zinc/58/97/81/526589781.db2.gz SGOOEBQQRPXBFM-ZDUSSCGKSA-N 1 0 305.382 0.668 10 30 DCEERO C=CCOCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000373320417 526777013 /nfs/dbraw/zinc/77/70/13/526777013.db2.gz XOOSTQKUJCZRMK-HOTGVXAUSA-N 1 0 324.469 0.856 10 30 DCEERO C=CCc1ccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(OC)c1 ZINC000262076832 527250709 /nfs/dbraw/zinc/25/07/09/527250709.db2.gz CCDFSABKDIKVIJ-KBPBESRZSA-N 1 0 320.389 0.499 10 30 DCEERO C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)NC(=O)OC(C)(C)C ZINC000195165722 659536216 /nfs/dbraw/zinc/53/62/16/659536216.db2.gz FEMSBONZCBKXRN-MNOVXSKESA-N 1 0 300.403 0.983 10 30 DCEERO C[NH+]=C(NC[C@@H]1CN(C)CCO1)N(C)CCC1CCOCC1 ZINC000158835605 664523017 /nfs/dbraw/zinc/52/30/17/664523017.db2.gz JFNBCETVNHPRLI-OAHLLOKOSA-N 1 0 312.458 0.641 10 30 DCEERO N#C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCN1C1CC1 ZINC000734286121 666866866 /nfs/dbraw/zinc/86/68/66/666866866.db2.gz ZOSTUYVWSUNUPW-WFASDCNBSA-N 1 0 303.410 0.605 10 30 DCEERO C#CC1(O)CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000708121671 667441985 /nfs/dbraw/zinc/44/19/85/667441985.db2.gz HDSDCPXQCXFGNR-CYBMUJFWSA-N 1 0 300.424 0.118 10 30 DCEERO NC(=O)[C@@H](CNC(=[NH2+])N1CCOCC1)Cc1ccc(F)cc1 ZINC000303888760 685208699 /nfs/dbraw/zinc/20/86/99/685208699.db2.gz PCVRETLDMOBPDG-GFCCVEGCSA-N 1 0 308.357 0.117 10 30 DCEERO CC(=O)Nc1cccc(NC(=O)C[N+]23CCN(CC2)CC3)c1 ZINC000024154287 717113605 /nfs/dbraw/zinc/11/36/05/717113605.db2.gz KFPQFJDXMHPPOB-UHFFFAOYSA-O 1 0 303.386 0.730 10 30 DCEERO [NH2+]=C(NCCN1C(=O)NC2(CCCC2)C1=O)NC1CCCC1 ZINC000262549290 238176511 /nfs/dbraw/zinc/17/65/11/238176511.db2.gz STFKGXRYPVUACU-UHFFFAOYSA-N 1 0 307.398 0.698 10 30 DCEERO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CS(=O)(=O)CCO2)c1 ZINC000262683839 238178523 /nfs/dbraw/zinc/17/85/23/238178523.db2.gz XQGDSYVUAUOPFT-CYBMUJFWSA-N 1 0 311.407 0.844 10 30 DCEERO Cn1cnc(CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)n1 ZINC000262755835 238179457 /nfs/dbraw/zinc/17/94/57/238179457.db2.gz DJZZMETXQDVEEH-LBPRGKRZSA-N 1 0 300.366 0.786 10 30 DCEERO [NH2+]=C(NCc1ccc(N2CCOCC2)nc1)NC[C@H]1CCCO1 ZINC000261707562 238165214 /nfs/dbraw/zinc/16/52/14/238165214.db2.gz DEDSWMZKPJUCLJ-CQSZACIVSA-N 1 0 319.409 0.502 10 30 DCEERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000178855703 396210821 /nfs/dbraw/zinc/21/08/21/396210821.db2.gz ACSNDAZEAQMXQN-NSHDSACASA-N 1 0 304.325 0.798 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000595850658 396670884 /nfs/dbraw/zinc/67/08/84/396670884.db2.gz MXEGTWJKSCLUGH-STQMWFEESA-N 1 0 324.425 0.623 10 30 DCEERO N#Cc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c(F)c1 ZINC000611203736 396833984 /nfs/dbraw/zinc/83/39/84/396833984.db2.gz NUQQFAMCLYCHOC-HNNXBMFYSA-N 1 0 302.353 0.703 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000611648969 396903472 /nfs/dbraw/zinc/90/34/72/396903472.db2.gz LMPPJXPAOYDGLF-TZMCWYRMSA-N 1 0 309.410 0.294 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000611761350 396925729 /nfs/dbraw/zinc/92/57/29/396925729.db2.gz ZKBAVMWCRQBCSR-ZDUSSCGKSA-N 1 0 309.410 0.462 10 30 DCEERO C=CCCSCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000597353998 396950112 /nfs/dbraw/zinc/95/01/12/396950112.db2.gz KXZHEIQKYJURTA-BETUJISGSA-N 1 0 313.467 0.868 10 30 DCEERO N#Cc1ccc(CCNS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000600862296 396958554 /nfs/dbraw/zinc/95/85/54/396958554.db2.gz AGAOXWWJJBKNCW-CQSZACIVSA-N 1 0 309.391 0.009 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000612045153 396988664 /nfs/dbraw/zinc/98/86/64/396988664.db2.gz QKGXWHVXXUYAEU-LSDHHAIUSA-N 1 0 323.437 0.828 10 30 DCEERO C[C@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619598025 397155503 /nfs/dbraw/zinc/15/55/03/397155503.db2.gz ARNLJYHATGYZNB-OCCSQVGLSA-N 1 0 316.409 0.901 10 30 DCEERO C[C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)n1cnc(C#N)n1 ZINC000619610357 397158182 /nfs/dbraw/zinc/15/81/82/397158182.db2.gz MSRRXAAAZXICPK-GFCCVEGCSA-N 1 0 311.349 0.455 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(C)=O)C[C@H]1CC ZINC000614202089 397398566 /nfs/dbraw/zinc/39/85/66/397398566.db2.gz KQXAAHSOVXQIKC-OLZOCXBDSA-N 1 0 310.398 0.235 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599567088 397473797 /nfs/dbraw/zinc/47/37/97/397473797.db2.gz LVVZFTHKYNPYJH-BBRMVZONSA-N 1 0 310.394 0.839 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000614659934 397492256 /nfs/dbraw/zinc/49/22/56/397492256.db2.gz DZLGCPRUPHHICW-HUUCEWRRSA-N 1 0 311.426 0.420 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602890452 397513635 /nfs/dbraw/zinc/51/36/35/397513635.db2.gz ZYMUZQWFRCVNKP-GFCCVEGCSA-N 1 0 306.370 0.317 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602890453 397513698 /nfs/dbraw/zinc/51/36/98/397513698.db2.gz ZYMUZQWFRCVNKP-LBPRGKRZSA-N 1 0 306.370 0.317 10 30 DCEERO C=CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000594431914 397548448 /nfs/dbraw/zinc/54/84/48/397548448.db2.gz SKZSJNWHBPLXHT-CHWSQXEVSA-N 1 0 313.423 0.599 10 30 DCEERO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccc(C#N)cc1F ZINC000609550571 397781725 /nfs/dbraw/zinc/78/17/25/397781725.db2.gz JATCKKHRHRRUJC-CQSZACIVSA-N 1 0 319.384 0.742 10 30 DCEERO CNC(=O)CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000133904152 158322944 /nfs/dbraw/zinc/32/29/44/158322944.db2.gz SIPJRKYLHMTPSM-UHFFFAOYSA-N 1 0 302.378 0.585 10 30 DCEERO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(C#N)cn1C ZINC000081755486 415486392 /nfs/dbraw/zinc/48/63/92/415486392.db2.gz VFBKESKSAUNYMY-UHFFFAOYSA-N 1 0 303.410 0.606 10 30 DCEERO CC[C@H]1CN(CC(=O)N(CC)CCC#N)CC[N@@H+]1CCOC ZINC000105837139 415637042 /nfs/dbraw/zinc/63/70/42/415637042.db2.gz NLJVNHWCYBURDR-HNNXBMFYSA-N 1 0 310.442 0.791 10 30 DCEERO C=CCNC(=O)CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863048 415637180 /nfs/dbraw/zinc/63/71/80/415637180.db2.gz HUYYNFIXZNKCML-UHFFFAOYSA-N 1 0 305.426 0.582 10 30 DCEERO C=C[C@@](C)(O)CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000354258414 415784886 /nfs/dbraw/zinc/78/48/86/415784886.db2.gz ZTBJOXYRWFRMCZ-DOTOQJQBSA-N 1 0 309.454 0.942 10 30 DCEERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000328988569 416142178 /nfs/dbraw/zinc/14/21/78/416142178.db2.gz FBROKOJDBWKGGI-VZZFWQQMSA-N 1 0 320.397 0.204 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000340774638 416193164 /nfs/dbraw/zinc/19/31/64/416193164.db2.gz MGYULOZITVGOKF-OAHLLOKOSA-N 1 0 324.469 0.411 10 30 DCEERO C=CC[C@@H](CO)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000349741883 416258210 /nfs/dbraw/zinc/25/82/10/416258210.db2.gz DUNAASDQXYCQQY-ZDUSSCGKSA-N 1 0 320.393 0.906 10 30 DCEERO CN1C(=O)C[C@H]([NH2+]CC(=O)NCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000192154694 416300040 /nfs/dbraw/zinc/30/00/40/416300040.db2.gz JTKLQXSVZFDMPO-SWLSCSKDSA-N 1 0 320.780 0.841 10 30 DCEERO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246584624 416332090 /nfs/dbraw/zinc/33/20/90/416332090.db2.gz WJQXQVCZLIKJIT-CABCVRRESA-N 1 0 308.426 0.401 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000424547045 416663934 /nfs/dbraw/zinc/66/39/34/416663934.db2.gz OAOGNVBKMLHKMO-FQUUOJAGSA-N 1 0 309.410 0.280 10 30 DCEERO C=CCN(Cc1ccccc1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631911379 416795857 /nfs/dbraw/zinc/79/58/57/416795857.db2.gz DTDDBMWGSFQFQI-HNNXBMFYSA-N 1 0 310.419 0.993 10 30 DCEERO C=CCN(Cc1ccccc1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631911380 416796202 /nfs/dbraw/zinc/79/62/02/416796202.db2.gz DTDDBMWGSFQFQI-OAHLLOKOSA-N 1 0 310.419 0.993 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2COCCN2C)CC1 ZINC000623579185 416844765 /nfs/dbraw/zinc/84/47/65/416844765.db2.gz QRVMNXHSTBOOTR-HNNXBMFYSA-N 1 0 310.442 0.657 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2COCCN2C)CC1 ZINC000623579186 416846263 /nfs/dbraw/zinc/84/62/63/416846263.db2.gz QRVMNXHSTBOOTR-OAHLLOKOSA-N 1 0 310.442 0.657 10 30 DCEERO C=CCNC(=O)CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623862428 416907704 /nfs/dbraw/zinc/90/77/04/416907704.db2.gz TYCVAETVBCQUOG-AWEZNQCLSA-N 1 0 308.426 0.995 10 30 DCEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475619 417431658 /nfs/dbraw/zinc/43/16/58/417431658.db2.gz QVOONRQEIRKNTB-HZSPNIEDSA-N 1 0 309.410 0.342 10 30 DCEERO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CNC(=O)C1 ZINC000194883887 261149519 /nfs/dbraw/zinc/14/95/19/261149519.db2.gz VBYXSPIEZFKHDJ-OAHLLOKOSA-N 1 0 314.389 0.585 10 30 DCEERO CC[C@@H](O)C[NH+]1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000156549727 280207877 /nfs/dbraw/zinc/20/78/77/280207877.db2.gz FIIWPZGMPPJQNQ-SJORKVTESA-N 1 0 303.406 0.980 10 30 DCEERO CC[C@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000156549836 280998238 /nfs/dbraw/zinc/99/82/38/280998238.db2.gz FIIWPZGMPPJQNQ-DLBZAZTESA-N 1 0 303.406 0.980 10 30 DCEERO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)CCCCC#N)[C@@H]2C1 ZINC000408028282 290170073 /nfs/dbraw/zinc/17/00/73/290170073.db2.gz PFQVTYPBIPDVPP-OLZOCXBDSA-N 1 0 301.412 0.415 10 30 DCEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(CCC#N)CCC#N ZINC000113271406 300315087 /nfs/dbraw/zinc/31/50/87/300315087.db2.gz SAFFRMNSACCENQ-LSDHHAIUSA-N 1 0 303.410 0.811 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886944 335789791 /nfs/dbraw/zinc/78/97/91/335789791.db2.gz PQQCOOGYQQQGDV-ZDUSSCGKSA-N 1 0 319.409 0.995 10 30 DCEERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C[C@H]1C ZINC000329783176 336081215 /nfs/dbraw/zinc/08/12/15/336081215.db2.gz OHYZJIBRAZBOTH-AYRXBEOTSA-N 1 0 311.426 0.855 10 30 DCEERO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330080332 336111861 /nfs/dbraw/zinc/11/18/61/336111861.db2.gz OZYKTMRTBWCGHX-ZMSDIMECSA-N 1 0 324.469 0.773 10 30 DCEERO C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@@H](O)C(F)(F)F ZINC000262757784 337620997 /nfs/dbraw/zinc/62/09/97/337620997.db2.gz BZDUQUPCIMIIKH-SNVBAGLBSA-N 1 0 307.320 0.625 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000425881730 338018199 /nfs/dbraw/zinc/01/81/99/338018199.db2.gz TWSISGPLLQBVJM-ZNMIVQPWSA-N 1 0 311.426 0.724 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCc2cccc(N3CCC3=O)c2)CCO1 ZINC000262816312 534272127 /nfs/dbraw/zinc/27/21/27/534272127.db2.gz WRXGECZBJCHNNJ-GFCCVEGCSA-N 1 0 302.378 0.959 10 30 DCEERO N#CCCn1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000173341889 534659341 /nfs/dbraw/zinc/65/93/41/534659341.db2.gz SKJYCHIEUPQLLS-CYBMUJFWSA-N 1 0 320.397 0.765 10 30 DCEERO CS(=O)(=O)N[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156436788 525215114 /nfs/dbraw/zinc/21/51/14/525215114.db2.gz HUHJCAWVOSCJBT-AWEZNQCLSA-N 1 0 323.418 0.951 10 30 DCEERO C[NH+]=C(NCC(=O)NC(C)(C)C)NCc1cn2c(n1)CCCC2 ZINC000262226907 526346107 /nfs/dbraw/zinc/34/61/07/526346107.db2.gz LKYWLLAULSSHMZ-UHFFFAOYSA-N 1 0 320.441 0.799 10 30 DCEERO C[NH+]=C(NCC1(CCOC)CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261654188 526350053 /nfs/dbraw/zinc/35/00/53/526350053.db2.gz AHYGUMKSLSGPCA-KRWDZBQOSA-N 1 0 322.453 0.981 10 30 DCEERO C[NH+]=C(NCC1(O)CCC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261855286 526351944 /nfs/dbraw/zinc/35/19/44/526351944.db2.gz YPWORWLFZOHYDN-CYBMUJFWSA-N 1 0 307.398 0.284 10 30 DCEERO C[NH+]=C(NCC1CCOCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261792852 526353340 /nfs/dbraw/zinc/35/33/40/526353340.db2.gz QPKROCQDBVSAMJ-INIZCTEOSA-N 1 0 308.426 0.591 10 30 DCEERO C[NH+]=C(NCCn1cccn1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000262048749 526367960 /nfs/dbraw/zinc/36/79/60/526367960.db2.gz ZISHBBJLSIQZKJ-UHFFFAOYSA-N 1 0 320.441 0.790 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCCn2nc(C)nc21 ZINC000262813221 526370250 /nfs/dbraw/zinc/37/02/50/526370250.db2.gz VVVNTWAMMKOFPT-XQQFMLRXSA-N 1 0 306.414 0.747 10 30 DCEERO C[NH+]=C(NCc1c(C)noc1C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261686073 526380090 /nfs/dbraw/zinc/38/00/90/526380090.db2.gz DOWXLKSPVMPXDY-INIZCTEOSA-N 1 0 319.409 0.969 10 30 DCEERO C[NH+]=C(NCc1cccn1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000262784861 526384863 /nfs/dbraw/zinc/38/48/63/526384863.db2.gz MCXYYNJFRMZKSS-OAHLLOKOSA-N 1 0 305.426 0.507 10 30 DCEERO C[NH+]=C(NCc1cccn1C)N1CC[C@H](N2CCOCC2)C1 ZINC000262784858 526385224 /nfs/dbraw/zinc/38/52/24/526385224.db2.gz MCXYYNJFRMZKSS-HNNXBMFYSA-N 1 0 305.426 0.507 10 30 DCEERO C[NH+]=C(NCc1ccn(C)c1)N1CCN(Cc2ccon2)CC1 ZINC000152872998 526386878 /nfs/dbraw/zinc/38/68/78/526386878.db2.gz RELMJEGTJZKKOG-UHFFFAOYSA-N 1 0 316.409 0.906 10 30 DCEERO C[NH+]=C(NCc1nnc2ccccn21)N1CCO[C@@H](COC)C1 ZINC000179266533 526392331 /nfs/dbraw/zinc/39/23/31/526392331.db2.gz RPGFNBKRLJDGNR-GFCCVEGCSA-N 1 0 318.381 0.152 10 30 DCEERO C[NH+]=C(NCc1nnc2ccccn21)NC[C@@]1(O)CCSC1 ZINC000262896831 526392878 /nfs/dbraw/zinc/39/28/78/526392878.db2.gz XIWZNKFYWOVZGT-AWEZNQCLSA-N 1 0 320.422 0.262 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000172584914 526440184 /nfs/dbraw/zinc/44/01/84/526440184.db2.gz PFMHDYXIBFCICF-JSGCOSHPSA-N 1 0 308.426 0.980 10 30 DCEERO C=CCOCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000373320411 526777447 /nfs/dbraw/zinc/77/74/47/526777447.db2.gz XOOSTQKUJCZRMK-CVEARBPZSA-N 1 0 324.469 0.856 10 30 DCEERO C#CCNC(=O)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000368097887 526958941 /nfs/dbraw/zinc/95/89/41/526958941.db2.gz AEZPVAMYXDXTDB-UHFFFAOYSA-N 1 0 303.406 0.603 10 30 DCEERO C=CCCS(=O)(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000161477301 527405461 /nfs/dbraw/zinc/40/54/61/527405461.db2.gz JHERPWDJXFKPIQ-ZDUSSCGKSA-N 1 0 304.456 0.917 10 30 DCEERO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000156641166 528692193 /nfs/dbraw/zinc/69/21/93/528692193.db2.gz SSABFONWXSWLRR-CYBMUJFWSA-N 1 0 304.398 0.923 10 30 DCEERO CC[NH+]=C(NCCNC(=O)c1cnccn1)N1CCC[C@H](C)C1 ZINC000262578128 528806305 /nfs/dbraw/zinc/80/63/05/528806305.db2.gz PKFPMPKAQBTNOT-ZDUSSCGKSA-N 1 0 318.425 0.904 10 30 DCEERO CC[NH+]=C(NCCN(C)CC)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261725185 528828977 /nfs/dbraw/zinc/82/89/77/528828977.db2.gz IUKAAKLNERZYPX-MRXNPFEDSA-N 1 0 309.458 0.506 10 30 DCEERO CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262326497 529349725 /nfs/dbraw/zinc/34/97/25/529349725.db2.gz XDXIAXOHFCVVFH-NEPJUHHUSA-N 1 0 319.475 0.350 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000321706963 546034993 /nfs/dbraw/zinc/03/49/93/546034993.db2.gz USFVHTZUZNGYLB-HNNXBMFYSA-N 1 0 324.469 0.444 10 30 DCEERO CN(C1(C[NH3+])CCOCC1)S(=O)(=O)c1ccc(C#N)s1 ZINC000725027205 658030041 /nfs/dbraw/zinc/03/00/41/658030041.db2.gz KBQDWHLKZVJWCT-UHFFFAOYSA-N 1 0 315.420 0.748 10 30 DCEERO C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCC[N@H+]2CCOC)C1=O ZINC000348402047 663781608 /nfs/dbraw/zinc/78/16/08/663781608.db2.gz YULHRFZLFGSBHK-STQMWFEESA-N 1 0 311.382 0.220 10 30 DCEERO N#C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C1CC1 ZINC000734286118 666866471 /nfs/dbraw/zinc/86/64/71/666866471.db2.gz ZOSTUYVWSUNUPW-DOMZBBRYSA-N 1 0 303.410 0.605 10 30 DCEERO C[C@H]1CN(C(=O)c2ccccc2OCC#N)CCN1CCO ZINC000188701889 670038075 /nfs/dbraw/zinc/03/80/75/670038075.db2.gz ALJYNOVTSDJSRD-ZDUSSCGKSA-N 1 0 303.362 0.728 10 30 DCEERO C[NH+]=C(NCCN1CCOCC1)NCc1cccc(OC)n1 ZINC000303986778 685209901 /nfs/dbraw/zinc/20/99/01/685209901.db2.gz UWPFVFPHQQSODT-UHFFFAOYSA-N 1 0 307.398 0.087 10 30 DCEERO CCc1nc(CNC(NCCN2CCOCC2)=[NH+]C)cs1 ZINC000304747405 685211649 /nfs/dbraw/zinc/21/16/49/685211649.db2.gz GKMSSYYUKGJCKE-UHFFFAOYSA-N 1 0 311.455 0.703 10 30 DCEERO CN1CC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000163071124 1182498264 /nfs/dbraw/zinc/49/82/64/1182498264.db2.gz QWIPJJRPJSPGKH-AWEZNQCLSA-N 1 0 307.419 0.873 10 30 DCEERO CC[C@@H]1CN([C@H](C)C(=O)N(C)CCC#N)CC[N@@H+]1CCOC ZINC000247200154 529401354 /nfs/dbraw/zinc/40/13/54/529401354.db2.gz OWPSADIRIYCPFV-HUUCEWRRSA-N 1 0 310.442 0.790 10 30 DCEERO C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)c1ccccn1 ZINC000172526135 237149066 /nfs/dbraw/zinc/14/90/66/237149066.db2.gz YPDPYGSGSQVFKY-UHFFFAOYSA-N 1 0 317.393 0.505 10 30 DCEERO Cc1cc(CNC(=[NH2+])N2CCO[C@H](C)C2)nc(N2CCCC2)n1 ZINC000262725613 238179359 /nfs/dbraw/zinc/17/93/59/238179359.db2.gz YWPSJGAGNRKOAH-CYBMUJFWSA-N 1 0 318.425 0.921 10 30 DCEERO Cn1cnc(CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)n1 ZINC000262755832 238179380 /nfs/dbraw/zinc/17/93/80/238179380.db2.gz DJZZMETXQDVEEH-GFCCVEGCSA-N 1 0 300.366 0.786 10 30 DCEERO COC[C@@H](C)NC(=[NH2+])NCc1nn(C)cc1Br ZINC000263172546 238186167 /nfs/dbraw/zinc/18/61/67/238186167.db2.gz SFPLVCURXQZVGP-SSDOTTSWSA-N 1 0 304.192 0.622 10 30 DCEERO C=CC[C@H](CO)NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000185300186 396324526 /nfs/dbraw/zinc/32/45/26/396324526.db2.gz ZCYRQNLMCCQDKI-CABCVRRESA-N 1 0 312.458 0.495 10 30 DCEERO C[NH+](C)C1CCN(CCNC(=O)c2ccnc(C#N)c2)CC1 ZINC000193445941 396451253 /nfs/dbraw/zinc/45/12/53/396451253.db2.gz MPHYSDZOXBXCGL-UHFFFAOYSA-N 1 0 301.394 0.709 10 30 DCEERO COc1ccc(C[N@@H+]2CC[C@](O)(Cn3ccnn3)C2)cc1C#N ZINC000585793349 396656237 /nfs/dbraw/zinc/65/62/37/396656237.db2.gz QVYRGRVPNLAYJF-MRXNPFEDSA-N 1 0 313.361 0.795 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000595633957 396641258 /nfs/dbraw/zinc/64/12/58/396641258.db2.gz RIYAEFZUNACRCY-JHJVBQTASA-N 1 0 313.398 0.154 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OCCCO)CC1 ZINC000610682760 396748618 /nfs/dbraw/zinc/74/86/18/396748618.db2.gz BAEUNFWLXOSDQB-GFCCVEGCSA-N 1 0 313.398 0.250 10 30 DCEERO C[C@@H]1C[C@H](NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)CC[N@@H+]1C ZINC000329602658 396846547 /nfs/dbraw/zinc/84/65/47/396846547.db2.gz FWVFDFKFGVYXJE-GRYCIOLGSA-N 1 0 303.428 0.502 10 30 DCEERO C=CCN(C[C@H](O)CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000625249316 396816435 /nfs/dbraw/zinc/81/64/35/396816435.db2.gz YKZTVMLUHKOQDK-CHWSQXEVSA-N 1 0 303.424 0.328 10 30 DCEERO C=CC[C@H]1CCN(CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625702179 396983095 /nfs/dbraw/zinc/98/30/95/396983095.db2.gz ULYYNKGYFIUIKE-KBPBESRZSA-N 1 0 314.451 0.920 10 30 DCEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599567090 397474222 /nfs/dbraw/zinc/47/42/22/397474222.db2.gz LVVZFTHKYNPYJH-CZUORRHYSA-N 1 0 310.394 0.839 10 30 DCEERO CC[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@@H+]1CCOC ZINC000105836238 415635988 /nfs/dbraw/zinc/63/59/88/415635988.db2.gz RGPOLJDHIOQPIQ-RDJZCZTQSA-N 1 0 322.453 0.837 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)CC1 ZINC000343737626 415705572 /nfs/dbraw/zinc/70/55/72/415705572.db2.gz JZFWMBFKHNOCEX-HNNXBMFYSA-N 1 0 321.421 0.390 10 30 DCEERO C=CCN1CC[C@H]([N@H+]2C[C@H](OC)C[C@H]2CC(=O)OCC)C1=O ZINC000337214422 415929635 /nfs/dbraw/zinc/92/96/35/415929635.db2.gz XLUKEUJYRRIPAT-MJBXVCDLSA-N 1 0 310.394 0.816 10 30 DCEERO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C#N)n2)[C@H](C)C1 ZINC000302812079 416099500 /nfs/dbraw/zinc/09/95/00/416099500.db2.gz HGOAXJGZDSRLRQ-GHMZBOCLSA-N 1 0 305.338 0.753 10 30 DCEERO CN1CCN(CC(=O)NC2CC([NH+]3CCCCC3)C2)CC1=O ZINC000330094899 416195708 /nfs/dbraw/zinc/19/57/08/416195708.db2.gz UMJXJHFUCVJJMF-UHFFFAOYSA-N 1 0 308.426 0.734 10 30 DCEERO CC[C@@H]1CN(CC(=O)N[C@](C)(C#N)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247003175 416332495 /nfs/dbraw/zinc/33/24/95/416332495.db2.gz BQQZBJVBICIIFG-ZMSDIMECSA-N 1 0 324.469 0.818 10 30 DCEERO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247385133 416332872 /nfs/dbraw/zinc/33/28/72/416332872.db2.gz WIXNZZQMFCUQGC-LSDHHAIUSA-N 1 0 318.425 0.998 10 30 DCEERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC000195261229 416325745 /nfs/dbraw/zinc/32/57/45/416325745.db2.gz XVPCFINFNULFLJ-ZDUSSCGKSA-N 1 0 321.450 0.845 10 30 DCEERO N#CCCCC[C@H]([NH3+])C(=O)Nc1n[nH]cc1Br ZINC000594467856 416563734 /nfs/dbraw/zinc/56/37/34/416563734.db2.gz HMEUCVAKCXFXKQ-QMMMGPOBSA-N 1 0 300.160 1.522 10 30 DCEERO Cc1cc(C#N)nc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000367327732 416644514 /nfs/dbraw/zinc/64/45/14/416644514.db2.gz TVFGVWJYEQLZKE-CQSZACIVSA-N 1 0 314.393 0.575 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CCC)C1CC[NH2+]CC1 ZINC000424551993 416663784 /nfs/dbraw/zinc/66/37/84/416663784.db2.gz XJGDTKWODDDUKD-ZFWWWQNUSA-N 1 0 323.437 0.684 10 30 DCEERO C=CCn1cc(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)nn1 ZINC000516647130 416732062 /nfs/dbraw/zinc/73/20/62/416732062.db2.gz JNKZPLQDIQHMAW-OLZOCXBDSA-N 1 0 322.413 0.061 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000616478564 417059337 /nfs/dbraw/zinc/05/93/37/417059337.db2.gz WEMLKESNROVABD-TZMCWYRMSA-N 1 0 324.425 0.036 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000407958782 417129238 /nfs/dbraw/zinc/12/92/38/417129238.db2.gz STUUZOOXNZBFPQ-UPJWGTAASA-N 1 0 302.444 0.737 10 30 DCEERO C=CCNC(=O)c1ccc(N2CC[N@@H+](CCO)C[C@@H]2C)nc1 ZINC000450956937 417287169 /nfs/dbraw/zinc/28/71/69/417287169.db2.gz SLLRSWJHMINROB-ZDUSSCGKSA-N 1 0 304.394 0.500 10 30 DCEERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC12COC2 ZINC000451137841 417305086 /nfs/dbraw/zinc/30/50/86/417305086.db2.gz PQKYKPQSMOVECG-STQMWFEESA-N 1 0 323.393 0.258 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627290398 417333616 /nfs/dbraw/zinc/33/36/16/417333616.db2.gz OTPDDJQHRWALNG-RQJABVFESA-N 1 0 309.410 0.341 10 30 DCEERO C=CCn1cc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)nn1 ZINC000574982179 417495802 /nfs/dbraw/zinc/49/58/02/417495802.db2.gz PFGGMOTYGIUXLH-HNNXBMFYSA-N 1 0 304.398 0.749 10 30 DCEERO CC[N@H+](CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 ZINC000369217897 276126330 /nfs/dbraw/zinc/12/63/30/276126330.db2.gz DEVINWIYCKPVQC-HNNXBMFYSA-N 1 0 305.426 0.852 10 30 DCEERO C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000265034920 277842855 /nfs/dbraw/zinc/84/28/55/277842855.db2.gz LVBNUZUYHMPXIK-LLVKDONJSA-N 1 0 321.343 0.973 10 30 DCEERO CS(=O)(=O)N1CCCC[C@@H]1CNC(=[NH2+])N1CCCCCC1 ZINC000262684512 278108807 /nfs/dbraw/zinc/10/88/07/278108807.db2.gz XTJVKCBZKAADHF-CYBMUJFWSA-N 1 0 316.471 0.991 10 30 DCEERO CC[NH+]=C(NC[C@H](C)C(=O)OC)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261691861 278169753 /nfs/dbraw/zinc/16/97/53/278169753.db2.gz FCYANLKVEZBLHP-LRDDRELGSA-N 1 0 324.425 0.363 10 30 DCEERO N#Cc1ccccc1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158902934 303208081 /nfs/dbraw/zinc/20/80/81/303208081.db2.gz FWJZRTJEPKYQCQ-AWEZNQCLSA-N 1 0 323.418 0.683 10 30 DCEERO C[N@@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@H]3COC[C@H]3n3ccnn3)C2)C1 ZINC000330214676 336125173 /nfs/dbraw/zinc/12/51/73/336125173.db2.gz LWEDWGVFAMIQPA-GUTXKFCHSA-N 1 0 320.397 0.160 10 30 DCEERO C=CCNC(=O)c1ccc(N2CC[N@H+](CCO)[C@@H](C)C2)nc1 ZINC000302472251 336359373 /nfs/dbraw/zinc/35/93/73/336359373.db2.gz WEOYLNIRYVZJRR-ZDUSSCGKSA-N 1 0 304.394 0.500 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NC[C@@H]2CCO[C@H]2c2ccnn2C)CCO1 ZINC000262665791 533787607 /nfs/dbraw/zinc/78/76/07/533787607.db2.gz OPHAIWGVRVXGAE-SGMGOOAPSA-N 1 0 307.398 0.533 10 30 DCEERO C[NH+]=C(NCCc1nc(C)no1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262466004 526366234 /nfs/dbraw/zinc/36/62/34/526366234.db2.gz NSLYVFCQEJYNCO-LBPRGKRZSA-N 1 0 317.397 0.719 10 30 DCEERO C[NH+]=C(NCCc1nc(C)no1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261780394 526366604 /nfs/dbraw/zinc/36/66/04/526366604.db2.gz PFNNXBFPIUIVJN-HNNXBMFYSA-N 1 0 320.397 0.098 10 30 DCEERO C=CCNC(=O)[C@H](C)[NH+]1CCC(C2N=NC(=O)N2CC)CC1 ZINC000372013297 526632141 /nfs/dbraw/zinc/63/21/41/526632141.db2.gz MEDREBGCWXMAOE-NSHDSACASA-N 1 0 307.398 0.874 10 30 DCEERO C=CCOCCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000378558177 526775938 /nfs/dbraw/zinc/77/59/38/526775938.db2.gz GHHMSKPKGOOEJI-OAHLLOKOSA-N 1 0 310.442 0.610 10 30 DCEERO C=CCS(=O)(=O)CC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000278516003 526977028 /nfs/dbraw/zinc/97/70/28/526977028.db2.gz QVXRJDHLNCBKKI-UHFFFAOYSA-N 1 0 322.386 0.473 10 30 DCEERO C#CCOCCC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154247528 527063709 /nfs/dbraw/zinc/06/37/09/527063709.db2.gz FEXBJAQVUZNMAY-SJPCQFCGSA-N 1 0 319.449 0.796 10 30 DCEERO C=CC[C@H](CO)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000185916349 527192757 /nfs/dbraw/zinc/19/27/57/527192757.db2.gz GFADHKKBOPGRIG-OAHLLOKOSA-N 1 0 318.421 0.647 10 30 DCEERO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000407951569 528707506 /nfs/dbraw/zinc/70/75/06/528707506.db2.gz CFGITKWXLMRBLB-GFCCVEGCSA-N 1 0 302.444 0.739 10 30 DCEERO CC[NH+]=C(NC[C@@](C)(O)CC)N1CCN(C(=O)C(C)C)CC1 ZINC000262288856 528812488 /nfs/dbraw/zinc/81/24/88/528812488.db2.gz YDUVADZFBICJRJ-INIZCTEOSA-N 1 0 312.458 0.913 10 30 DCEERO CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CCC(=O)N(C)C1 ZINC000262349784 528815253 /nfs/dbraw/zinc/81/52/53/528815253.db2.gz DYJPBMYVQFVSAQ-SMDDNHRTSA-N 1 0 314.455 0.030 10 30 DCEERO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C#N)C2CC2)CC1=O ZINC000246316295 529077255 /nfs/dbraw/zinc/07/72/55/529077255.db2.gz ZDECWTIKBLGARB-ZNMIVQPWSA-N 1 0 318.421 0.738 10 30 DCEERO Cc1c(CN2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)cc(C#N)n1C ZINC000888094306 661159559 /nfs/dbraw/zinc/15/95/59/661159559.db2.gz IZOFBOWKXIDMHS-CVEARBPZSA-N 1 0 313.409 0.784 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCCCO1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261936696 661872386 /nfs/dbraw/zinc/87/23/86/661872386.db2.gz CRANNUPJESYFBA-LBPRGKRZSA-N 1 0 317.455 0.640 10 30 DCEERO O=C(NCC[NH2+]Cc1cnn2ccccc12)C1N=CC=CC1=O ZINC000733334875 666491106 /nfs/dbraw/zinc/49/11/06/666491106.db2.gz SPHKMMADWNTJIC-NXVVXOECSA-N 1 0 311.345 0.950 10 30 DCEERO C=C(Br)CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185672129 666543595 /nfs/dbraw/zinc/54/35/95/666543595.db2.gz QVEASLCLLPANAD-WDEREUQCSA-N 1 0 320.231 0.992 10 30 DCEERO C=CCn1nnn(CN2CC[N@@H+](CCOC)[C@@H](C)C2)c1=S ZINC000117322790 671193265 /nfs/dbraw/zinc/19/32/65/671193265.db2.gz PTYPTDAYRSBRSG-LBPRGKRZSA-N 1 0 312.443 0.605 10 30 DCEERO CCc1nc(CCNC(=[NH+]C)N2CC[C@@]3(CCOC3)C2)no1 ZINC000261970589 529733608 /nfs/dbraw/zinc/73/36/08/529733608.db2.gz MORYVSYRSJITRW-OAHLLOKOSA-N 1 0 307.398 0.862 10 30 DCEERO CN1CC[NH+]=C1NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000262668411 529779077 /nfs/dbraw/zinc/77/90/77/529779077.db2.gz PVRVOVKSPPBDKX-LBPRGKRZSA-N 1 0 314.397 0.232 10 30 DCEERO [NH2+]=C(NCCS(=O)(=O)c1ccc(F)cc1)N1CCOCC1 ZINC000153426599 237018064 /nfs/dbraw/zinc/01/80/64/237018064.db2.gz RPJAACQQFQNRHF-UHFFFAOYSA-N 1 0 315.370 0.246 10 30 DCEERO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)CC1(C#N)CC1 ZINC000180413260 237259054 /nfs/dbraw/zinc/25/90/54/237259054.db2.gz FHMPEOZACPBSAG-LBPRGKRZSA-N 1 0 301.412 0.320 10 30 DCEERO Cn1cc([C@@H]2OCC[C@H]2CNC(=[NH2+])N2CCSCC2)cn1 ZINC000263202910 238185621 /nfs/dbraw/zinc/18/56/21/238185621.db2.gz XPJXILOXCIHPMG-WCQYABFASA-N 1 0 309.439 0.861 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000369121596 239164179 /nfs/dbraw/zinc/16/41/79/239164179.db2.gz HOSXIMRXHBKBTG-UPJWGTAASA-N 1 0 300.428 0.349 10 30 DCEERO CC[C@@H]1CN(CC(=O)N(CC)C[C@@H](C)C#N)CC[N@@H+]1C[C@@H](C)O ZINC000105827490 395780956 /nfs/dbraw/zinc/78/09/56/395780956.db2.gz XWWSEAXHRBYPLP-ARFHVFGLSA-N 1 0 324.469 0.772 10 30 DCEERO C[N@H+]1C[C@H]2CN(C[C@H](O)COc3ccc(C#N)cc3)C[C@H]2C1 ZINC000193611926 395773702 /nfs/dbraw/zinc/77/37/02/395773702.db2.gz RDTWQEBIIZIZBG-XHSDSOJGSA-N 1 0 301.390 0.791 10 30 DCEERO C[NH+](C)C[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)CCO1 ZINC000116901111 395849422 /nfs/dbraw/zinc/84/94/22/395849422.db2.gz YTFBFVUYXAENCN-HNNXBMFYSA-N 1 0 323.418 0.650 10 30 DCEERO C=CCn1cc(CN2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)c(C)n1 ZINC000067908917 396038509 /nfs/dbraw/zinc/03/85/09/396038509.db2.gz NKOZXWTUMKJRPG-CABCVRRESA-N 1 0 305.426 0.804 10 30 DCEERO Cc1sc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)c(C#N)c1C ZINC000179173017 396222986 /nfs/dbraw/zinc/22/29/86/396222986.db2.gz JKDCUPQFTBMKCH-MNOVXSKESA-N 1 0 309.391 0.603 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595904301 396680306 /nfs/dbraw/zinc/68/03/06/396680306.db2.gz CKYNIPXGTUODDI-CYBMUJFWSA-N 1 0 312.414 0.041 10 30 DCEERO C=CCN(C)C(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000625384151 396854837 /nfs/dbraw/zinc/85/48/37/396854837.db2.gz UPJYEMJJGRPBRO-UHFFFAOYSA-N 1 0 323.437 0.734 10 30 DCEERO Cc1onc(CC(=O)Nc2cnn(CC[NH+](C)C)c2)c1C#N ZINC000611524116 396880722 /nfs/dbraw/zinc/88/07/22/396880722.db2.gz WGNVGDAYMDVFBG-UHFFFAOYSA-N 1 0 302.338 0.794 10 30 DCEERO COc1cc(C[N@@H+]2CCC[C@](O)(CC(N)=O)C2)ccc1C#N ZINC000591629544 396949008 /nfs/dbraw/zinc/94/90/08/396949008.db2.gz GZKGNXVDYDRRQY-INIZCTEOSA-N 1 0 303.362 0.769 10 30 DCEERO Cc1ncc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)cc1C#N ZINC000383559090 397278730 /nfs/dbraw/zinc/27/87/30/397278730.db2.gz SGRPLZURFZNYGS-SNVBAGLBSA-N 1 0 304.322 0.523 10 30 DCEERO C=CCC1(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)CCOCC1 ZINC000424887616 397402935 /nfs/dbraw/zinc/40/29/35/397402935.db2.gz VBGDKPZOQCTUIE-AWEZNQCLSA-N 1 0 324.421 0.923 10 30 DCEERO C[NH+](C)C[C@](C)(O)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000128762581 286984513 /nfs/dbraw/zinc/98/45/13/286984513.db2.gz HVFIJYBZCNDUGK-MRXNPFEDSA-N 1 0 320.393 0.549 10 30 DCEERO CN1CCO[C@@H]2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)C[C@@H]21 ZINC000332755463 415466568 /nfs/dbraw/zinc/46/65/68/415466568.db2.gz JFYPJLMQFYYWIT-LZWOXQAQSA-N 1 0 306.410 0.200 10 30 DCEERO C=C(C)CN(CC)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000284829798 415601291 /nfs/dbraw/zinc/60/12/91/415601291.db2.gz YSKJPURIDFJTLU-UHFFFAOYSA-N 1 0 311.426 0.640 10 30 DCEERO C#CCNC(=O)[C@@H](C)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864407 415633900 /nfs/dbraw/zinc/63/39/00/415633900.db2.gz QLEAPDVPQGZTSU-VXGBXAGGSA-N 1 0 305.382 0.195 10 30 DCEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000289505994 415709725 /nfs/dbraw/zinc/70/97/25/415709725.db2.gz UQDDMHZZKAZGHU-GFCCVEGCSA-N 1 0 319.409 0.867 10 30 DCEERO C=CCSCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000355295312 415860340 /nfs/dbraw/zinc/86/03/40/415860340.db2.gz YJVRUZMUDPYQGS-ZDUSSCGKSA-N 1 0 311.451 0.717 10 30 DCEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329527261 416174811 /nfs/dbraw/zinc/17/48/11/416174811.db2.gz UELMIQDSEFONJS-YIYPIFLZSA-N 1 0 320.397 0.301 10 30 DCEERO CN1CCO[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329776983 416190146 /nfs/dbraw/zinc/19/01/46/416190146.db2.gz OQJHQTPUPGIJRW-DKUMPPAJSA-N 1 0 310.442 0.836 10 30 DCEERO C=CCCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000341998871 416263356 /nfs/dbraw/zinc/26/33/56/416263356.db2.gz OFVAROKXJBBYRD-AWEZNQCLSA-N 1 0 309.410 0.390 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CC(=O)NCC ZINC000342032005 416270974 /nfs/dbraw/zinc/27/09/74/416270974.db2.gz MFSGVQNXWLHNNN-GFCCVEGCSA-N 1 0 310.398 0.379 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(c2cc[nH]n2)CC1 ZINC000195507672 416326466 /nfs/dbraw/zinc/32/64/66/416326466.db2.gz IPSXPBTZEDACMM-LLVKDONJSA-N 1 0 305.382 0.989 10 30 DCEERO C=CCNC(=O)c1ccc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)nc1 ZINC000418996515 416395779 /nfs/dbraw/zinc/39/57/79/416395779.db2.gz FIAFARQTFZNOEI-KBPBESRZSA-N 1 0 318.421 0.889 10 30 DCEERO C=CC[C@@H](CO)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000366745160 416635745 /nfs/dbraw/zinc/63/57/45/416635745.db2.gz LZILYKGPLFQHPT-LBPRGKRZSA-N 1 0 307.398 1.208 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1CCC ZINC000424548768 416663594 /nfs/dbraw/zinc/66/35/94/416663594.db2.gz QEAHYMHYFMRBKR-MJBXVCDLSA-N 1 0 309.410 0.294 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000564888962 416898468 /nfs/dbraw/zinc/89/84/68/416898468.db2.gz BRSJWFZULJCHCK-XGUBFFRZSA-N 1 0 311.426 0.674 10 30 DCEERO C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000627733900 417492808 /nfs/dbraw/zinc/49/28/08/417492808.db2.gz GYSVBAXHTASTJT-ZDUSSCGKSA-N 1 0 319.409 0.808 10 30 DCEERO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246471900 276352011 /nfs/dbraw/zinc/35/20/11/276352011.db2.gz ODONNOHPMVRBEP-PMPSAXMXSA-N 1 0 322.453 0.647 10 30 DCEERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccncc1C#N ZINC000548480168 288147396 /nfs/dbraw/zinc/14/73/96/288147396.db2.gz GBDZVGIADQBFNI-HNNXBMFYSA-N 1 0 301.394 0.730 10 30 DCEERO N#Cc1cc(Br)cnc1NCC(=O)N1CC[NH2+]CC1 ZINC000388288614 333253737 /nfs/dbraw/zinc/25/37/37/333253737.db2.gz UZPGNILSSSQEID-UHFFFAOYSA-N 1 0 324.182 0.559 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886946 335789893 /nfs/dbraw/zinc/78/98/93/335789893.db2.gz PQQCOOGYQQQGDV-CYBMUJFWSA-N 1 0 319.409 0.995 10 30 DCEERO Cc1nc(CNC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)no1 ZINC000329799142 336083254 /nfs/dbraw/zinc/08/32/54/336083254.db2.gz HFLHGTINBJVSMF-NSHDSACASA-N 1 0 323.397 0.977 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583019462 337225633 /nfs/dbraw/zinc/22/56/33/337225633.db2.gz FAMPIAKBRCFZHH-GRDNDAEWSA-N 1 0 321.421 0.296 10 30 DCEERO N#Cc1ccc(S(=O)(=O)N2CCC(O)(C[NH3+])CC2)s1 ZINC000397058793 337244424 /nfs/dbraw/zinc/24/44/24/337244424.db2.gz BWIORVSCXLCBNZ-UHFFFAOYSA-N 1 0 301.393 0.094 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000425881795 338018193 /nfs/dbraw/zinc/01/81/93/338018193.db2.gz CZKTXBZYQSPHGA-OSFYFWSMSA-N 1 0 321.421 0.435 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000425893468 338018562 /nfs/dbraw/zinc/01/85/62/338018562.db2.gz XJYAGYRTUTUNQB-RQJABVFESA-N 1 0 309.410 0.293 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000425908219 338018747 /nfs/dbraw/zinc/01/87/47/338018747.db2.gz GKIYQTZOGOXWAJ-PPWQZUPISA-N 1 0 323.437 0.683 10 30 DCEERO C=CCc1cc(C[NH2+]C[C@@H](O)Cn2ccnn2)cc(OC)c1O ZINC000459697300 339043380 /nfs/dbraw/zinc/04/33/80/339043380.db2.gz MFUWJXVSYCIYRR-CQSZACIVSA-N 1 0 318.377 0.872 10 30 DCEERO CN1C(=O)C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000192154689 340563450 /nfs/dbraw/zinc/56/34/50/340563450.db2.gz JTKLQXSVZFDMPO-DOMZBBRYSA-N 1 0 320.780 0.841 10 30 DCEERO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000178465274 533720846 /nfs/dbraw/zinc/72/08/46/533720846.db2.gz HDIDKSYQXKBWAD-CYBMUJFWSA-N 1 0 300.362 0.968 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCc2cn(C)nc2C(F)(F)F)CCO1 ZINC000262429464 533787359 /nfs/dbraw/zinc/78/73/59/533787359.db2.gz DNQBQFHSKKHBPJ-QMMMGPOBSA-N 1 0 305.304 0.974 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCC2(CS(C)(=O)=O)CCC2)CCO1 ZINC000263053853 533788720 /nfs/dbraw/zinc/78/87/20/533788720.db2.gz DRRGPLJVUTZDFH-NSHDSACASA-N 1 0 303.428 0.237 10 30 DCEERO C[C@H]1C[NH+]=C(NC[C@H]2CCCN(c3nccn4cnnc34)C2)N1 ZINC000262654282 533989895 /nfs/dbraw/zinc/98/98/95/533989895.db2.gz LDOIISAMXOJPEC-NWDGAFQWSA-N 1 0 314.397 0.278 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC000262688766 534271231 /nfs/dbraw/zinc/27/12/31/534271231.db2.gz ZPFSHCFIEBNVAA-GHMZBOCLSA-N 1 0 324.347 0.285 10 30 DCEERO C[NH+]=C(NCC1(CCO)CCCC1)N[C@H]1CCC(=O)N(C)C1 ZINC000262773052 526350081 /nfs/dbraw/zinc/35/00/81/526350081.db2.gz JECNTHFXBGHTPD-ZDUSSCGKSA-N 1 0 310.442 0.715 10 30 DCEERO C[NH+]=C(NCC1(O)CCC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261855289 526351846 /nfs/dbraw/zinc/35/18/46/526351846.db2.gz YPWORWLFZOHYDN-ZDUSSCGKSA-N 1 0 307.398 0.284 10 30 DCEERO C[NH+]=C(NCCN1C(=O)CNC1=O)N(C)Cc1csc(C)n1 ZINC000155671590 526354622 /nfs/dbraw/zinc/35/46/22/526354622.db2.gz UHKBODQUNNMQQE-UHFFFAOYSA-N 1 0 324.410 0.011 10 30 DCEERO C[NH+]=C(NCCC1CCOCC1)N1CCN(C2CC2)C(=O)C1 ZINC000262823722 526354942 /nfs/dbraw/zinc/35/49/42/526354942.db2.gz ZDFSXCQNGJRMDS-UHFFFAOYSA-N 1 0 308.426 0.685 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@H](N2CCOCC2)C1 ZINC000262794128 526370503 /nfs/dbraw/zinc/37/05/03/526370503.db2.gz PCUNNVRVDSNIKL-KKUMJFAQSA-N 1 0 310.442 0.129 10 30 DCEERO C[NH+]=C(NC[C@H](C)N(C)C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261656329 526374412 /nfs/dbraw/zinc/37/44/12/526374412.db2.gz BIOWPJZPVRNGCH-ZDUSSCGKSA-N 1 0 311.474 0.843 10 30 DCEERO C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000262793206 526376462 /nfs/dbraw/zinc/37/64/62/526376462.db2.gz OUUQMZDDGHCHSV-KGLIPLIRSA-N 1 0 320.441 0.699 10 30 DCEERO C[NH+]=C(NCc1cnn(C)c1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261843753 526388839 /nfs/dbraw/zinc/38/88/39/526388839.db2.gz WXOCNASXZROJIT-HNNXBMFYSA-N 1 0 304.398 0.098 10 30 DCEERO C[NH+]=C(NCc1nnc2ccccn21)NC[C@]1(O)CCSC1 ZINC000262896835 526392615 /nfs/dbraw/zinc/39/26/15/526392615.db2.gz XIWZNKFYWOVZGT-CQSZACIVSA-N 1 0 320.422 0.262 10 30 DCEERO C[NH+]=C(NCc1nnc2ccccn21)NCc1ccnc(C)n1 ZINC000263231727 526392842 /nfs/dbraw/zinc/39/28/42/526392842.db2.gz IHFOEAAZTVUUOO-UHFFFAOYSA-N 1 0 310.365 0.693 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N[C@@H]1CCC(=O)NC1 ZINC000261844065 526396324 /nfs/dbraw/zinc/39/63/24/526396324.db2.gz WRVBRURWKWXCTC-AYRXBEOTSA-N 1 0 320.437 0.778 10 30 DCEERO C=CCc1ccc(OCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(OC)c1 ZINC000262076833 527250984 /nfs/dbraw/zinc/25/09/84/527250984.db2.gz CCDFSABKDIKVIJ-KGLIPLIRSA-N 1 0 320.389 0.499 10 30 DCEERO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000302660431 527346250 /nfs/dbraw/zinc/34/62/50/527346250.db2.gz AXGHZJRKYIGKOL-UHFFFAOYSA-N 1 0 305.338 0.754 10 30 DCEERO CCN(CCC#N)C(=O)CN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000171749663 528356979 /nfs/dbraw/zinc/35/69/79/528356979.db2.gz NOZSTSDNNOXVPG-HNNXBMFYSA-N 1 0 322.453 0.934 10 30 DCEERO CCC(CC)(CO)CNC(=[NH+]C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261772110 528696766 /nfs/dbraw/zinc/69/67/66/528696766.db2.gz ODYYDWDLFFKWRU-QGZVFWFLSA-N 1 0 324.469 0.963 10 30 DCEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000261730793 528819591 /nfs/dbraw/zinc/81/95/91/528819591.db2.gz JLXJDDWIKYZXLQ-QJPTWQEYSA-N 1 0 306.414 0.703 10 30 DCEERO CC(C)NC(=[NH2+])NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000263249037 528968948 /nfs/dbraw/zinc/96/89/48/528968948.db2.gz IRDKNBCABAFBMO-GFCCVEGCSA-N 1 0 316.413 0.653 10 30 DCEERO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1cn2c(n1)CCCC2 ZINC000329445025 546049099 /nfs/dbraw/zinc/04/90/99/546049099.db2.gz KSILZNBFVHWPDR-AWEZNQCLSA-N 1 0 320.441 0.469 10 30 DCEERO C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@H]1CCC(=O)N(C)C1 ZINC000262822543 662586222 /nfs/dbraw/zinc/58/62/22/662586222.db2.gz XJSAFMARVUEBRG-XEZPLFJOSA-N 1 0 310.442 0.713 10 30 DCEERO COC[C@@H](C)NC(=[NH2+])NCc1ccc(CN2CCOCC2)cc1 ZINC000303779006 685206964 /nfs/dbraw/zinc/20/69/64/685206964.db2.gz KHMTUWJWEPXJPI-CQSZACIVSA-N 1 0 320.437 0.958 10 30 DCEERO Cc1nn(C)c(C)c1CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303879521 685208485 /nfs/dbraw/zinc/20/84/85/685208485.db2.gz JPZFXOLVWGFYKU-UHFFFAOYSA-N 1 0 322.457 0.206 10 30 DCEERO C=CCNC(=O)CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000180722550 1185175498 /nfs/dbraw/zinc/17/54/98/1185175498.db2.gz LRCCKUVQDZOIFB-CQSZACIVSA-N 1 0 308.426 0.852 10 30 DCEERO CC[C@@]1(C)CCN(C(NCCNC(=O)c2cnccn2)=[NH+]C)C1 ZINC000261655193 529524529 /nfs/dbraw/zinc/52/45/29/529524529.db2.gz ALDAGZBGHNXLLU-INIZCTEOSA-N 1 0 318.425 0.904 10 30 DCEERO N#Cc1cccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000158914091 237072110 /nfs/dbraw/zinc/07/21/10/237072110.db2.gz JTVZTWMZPBKJFJ-AWEZNQCLSA-N 1 0 323.418 0.683 10 30 DCEERO Cc1nnc(CNC(NC[C@@H]2CCCO2)=[NH+][C@@H]2C[C@H]2C)n1C ZINC000261945146 238168495 /nfs/dbraw/zinc/16/84/95/238168495.db2.gz FRVDALVSZNZHMF-KGYLQXTDSA-N 1 0 306.414 0.746 10 30 DCEERO [NH2+]=C(NCc1ccc2c(c1)C(=O)NCC2)NC[C@@H]1CCCO1 ZINC000262404688 238173379 /nfs/dbraw/zinc/17/33/79/238173379.db2.gz VWBHIIQFACFWNP-ZDUSSCGKSA-N 1 0 302.378 0.556 10 30 DCEERO NS(=O)(=O)c1ccc(CNC(=[NH2+])N2CCSCC2)cc1 ZINC000263077011 238184941 /nfs/dbraw/zinc/18/49/41/238184941.db2.gz COLCWJLREGJEDF-UHFFFAOYSA-N 1 0 314.436 0.198 10 30 DCEERO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000369121546 285048400 /nfs/dbraw/zinc/04/84/00/285048400.db2.gz GXXFWIXIUGWALM-RDBSUJKOSA-N 1 0 314.455 0.739 10 30 DCEERO CN1CCO[C@H](C[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000113438935 395830708 /nfs/dbraw/zinc/83/07/08/395830708.db2.gz GLCAGUQCJXZVQW-HZPDHXFCSA-N 1 0 314.389 0.584 10 30 DCEERO N#Cc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000261790774 396066287 /nfs/dbraw/zinc/06/62/87/396066287.db2.gz XUYVYRNXCRDZKG-PWSUYJOCSA-N 1 0 309.366 0.927 10 30 DCEERO C[C@@H](C#N)CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000182841511 396255336 /nfs/dbraw/zinc/25/53/36/396255336.db2.gz PPSBRGWGHABEBP-GJZGRUSLSA-N 1 0 307.442 0.958 10 30 DCEERO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371823847 396478007 /nfs/dbraw/zinc/47/80/07/396478007.db2.gz SNRDTNPCRMIILS-ZDUSSCGKSA-N 1 0 320.418 0.965 10 30 DCEERO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000595848452 396669947 /nfs/dbraw/zinc/66/99/47/396669947.db2.gz AYEVEILIFGPPJE-LBPRGKRZSA-N 1 0 310.398 0.235 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000611978354 396968999 /nfs/dbraw/zinc/96/89/99/396968999.db2.gz OFTKCAIZEDCJCX-INIZCTEOSA-N 1 0 324.469 0.600 10 30 DCEERO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000613063188 397186247 /nfs/dbraw/zinc/18/62/47/397186247.db2.gz NQRMJLXIPXEIMS-OAHLLOKOSA-N 1 0 306.341 0.563 10 30 DCEERO N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000165646371 158364559 /nfs/dbraw/zinc/36/45/59/158364559.db2.gz PAYOMDUCWNYPNW-JTQLQIEISA-N 1 0 315.782 0.560 10 30 DCEERO COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000261614135 158722717 /nfs/dbraw/zinc/72/27/17/158722717.db2.gz ARYQDJALIZPBLM-JQWIXIFHSA-N 1 0 309.391 0.843 10 30 DCEERO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000363470690 298277349 /nfs/dbraw/zinc/27/73/49/298277349.db2.gz KFOYGQHNDNVRLU-AGIUHOORSA-N 1 0 300.428 0.634 10 30 DCEERO Cn1cc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cc1C#N ZINC000373615881 159690523 /nfs/dbraw/zinc/69/05/23/159690523.db2.gz NLFJSMYKYHOJHE-KRWDZBQOSA-N 1 0 318.421 0.868 10 30 DCEERO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000128762786 286984751 /nfs/dbraw/zinc/98/47/51/286984751.db2.gz HVFIJYBZCNDUGK-INIZCTEOSA-N 1 0 320.393 0.549 10 30 DCEERO CCN(CCC[NH2+]Cc1nc(C#N)cs1)S(C)(=O)=O ZINC000352854023 415347431 /nfs/dbraw/zinc/34/74/31/415347431.db2.gz PAIUAMRRZACOTD-UHFFFAOYSA-N 1 0 302.425 0.776 10 30 DCEERO C=CCCC[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000076733988 415455590 /nfs/dbraw/zinc/45/55/90/415455590.db2.gz NXQYPZPGSSXFBB-UHFFFAOYSA-N 1 0 310.442 0.117 10 30 DCEERO CN1CCO[C@H]2CCN(CC(=O)NC3(C#N)CCCCC3)C[C@H]21 ZINC000332755515 415466377 /nfs/dbraw/zinc/46/63/77/415466377.db2.gz KHWZPAQIJVPRJF-CABCVRRESA-N 1 0 320.437 0.734 10 30 DCEERO C=CCSCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000286523785 415633239 /nfs/dbraw/zinc/63/32/39/415633239.db2.gz PKWKVKYCHJJXAD-OLZOCXBDSA-N 1 0 313.467 0.963 10 30 DCEERO COCCN1CCN(CC(=O)N(CCC#N)CCC#N)C[C@H]1C ZINC000105834161 415635325 /nfs/dbraw/zinc/63/53/25/415635325.db2.gz KPPPSGSQEZSNFB-OAHLLOKOSA-N 1 0 321.425 0.295 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000343765902 415718340 /nfs/dbraw/zinc/71/83/40/415718340.db2.gz OCNWMFYSQMNVJX-OKILXGFUSA-N 1 0 307.394 0.143 10 30 DCEERO N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000333668442 415712038 /nfs/dbraw/zinc/71/20/38/415712038.db2.gz MSNVHGCGSXRSEO-ZDUSSCGKSA-N 1 0 300.366 0.147 10 30 DCEERO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CN2CCOCC2)C1=O ZINC000337171205 415921454 /nfs/dbraw/zinc/92/14/54/415921454.db2.gz FRMONMCUJHHGIR-JKSUJKDBSA-N 1 0 307.438 0.960 10 30 DCEERO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000160847026 416009678 /nfs/dbraw/zinc/00/96/78/416009678.db2.gz INIUJLWEWYEKOZ-JSGCOSHPSA-N 1 0 314.393 0.480 10 30 DCEERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)N(C)CC(=O)NC1CC1 ZINC000329104925 416149907 /nfs/dbraw/zinc/14/99/07/416149907.db2.gz CTLXRZUVQNTIJS-CMPLNLGQSA-N 1 0 320.397 0.148 10 30 DCEERO C=CC[C@H](CC)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529327097 417440568 /nfs/dbraw/zinc/44/05/68/417440568.db2.gz BBBYSXBTJXAVDQ-AWEZNQCLSA-N 1 0 323.441 0.694 10 30 DCEERO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000631324792 417851579 /nfs/dbraw/zinc/85/15/79/417851579.db2.gz JPIQXVYFGSONII-HNNXBMFYSA-N 1 0 307.438 0.865 10 30 DCEERO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000631324793 417852126 /nfs/dbraw/zinc/85/21/26/417852126.db2.gz JPIQXVYFGSONII-OAHLLOKOSA-N 1 0 307.438 0.865 10 30 DCEERO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000368065352 278100644 /nfs/dbraw/zinc/10/06/44/278100644.db2.gz SXWWFJKSFCMLOB-HUUCEWRRSA-N 1 0 308.426 0.544 10 30 DCEERO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)n1cnc(C#N)n1 ZINC000546255956 288017623 /nfs/dbraw/zinc/01/76/23/288017623.db2.gz XTFOSMAEBXDTIS-JHJVBQTASA-N 1 0 302.382 0.653 10 30 DCEERO CC[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262769344 280837604 /nfs/dbraw/zinc/83/76/04/280837604.db2.gz HFFIXRJRIRAHNQ-CYBMUJFWSA-N 1 0 310.442 0.858 10 30 DCEERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329948720 336098666 /nfs/dbraw/zinc/09/86/66/336098666.db2.gz ZHGGBVAJEHGYFS-AVGNSLFASA-N 1 0 320.397 0.350 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCCCC[C@H]1C(=O)OC ZINC000451233351 338726730 /nfs/dbraw/zinc/72/67/30/338726730.db2.gz HXYQXHYKJVOEMA-NEPJUHHUSA-N 1 0 311.382 0.710 10 30 DCEERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1CCO ZINC000187651152 533923981 /nfs/dbraw/zinc/92/39/81/533923981.db2.gz HNQNYLXGPUONMW-AWEZNQCLSA-N 1 0 316.405 0.885 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCC[S@@](=O)Cc2ccccc2)CCO1 ZINC000262432879 534271045 /nfs/dbraw/zinc/27/10/45/534271045.db2.gz FQYDKRDEKZOUMA-LRTDBIEQSA-N 1 0 309.435 0.971 10 30 DCEERO Cc1noc([C@@H]2CC[C@H](CNC(=[NH2+])NC[C@H]3CCCO3)O2)n1 ZINC000262786412 534463153 /nfs/dbraw/zinc/46/31/53/534463153.db2.gz MSQCIMPIVPLNQB-UTUOFQBUSA-N 1 0 309.370 0.681 10 30 DCEERO N#CCCN(CCC#N)C(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000172804219 534643839 /nfs/dbraw/zinc/64/38/39/534643839.db2.gz FVCDWBRQUGGYIF-HNNXBMFYSA-N 1 0 303.410 0.812 10 30 DCEERO CC[C@H]1CN(C(=O)c2ccnc(C#N)c2)CC[N@@H+]1C[C@H](C)O ZINC000249090643 523261675 /nfs/dbraw/zinc/26/16/75/523261675.db2.gz KGYDRBGDNRZFFZ-WFASDCNBSA-N 1 0 302.378 0.870 10 30 DCEERO C[NH+]=C(NC1CCC1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000262014518 526344551 /nfs/dbraw/zinc/34/45/51/526344551.db2.gz XMDCKMUGBGXJBN-AWEZNQCLSA-N 1 0 321.469 0.743 10 30 DCEERO C[NH+]=C(NCCn1cccn1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261683858 526367229 /nfs/dbraw/zinc/36/72/29/526367229.db2.gz DKFITJSINIHQPH-HNNXBMFYSA-N 1 0 304.398 0.061 10 30 DCEERO C[NH+]=C(NCc1c(C)noc1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000175527913 526379542 /nfs/dbraw/zinc/37/95/42/526379542.db2.gz SNKBJGNIVSYCAW-CQSZACIVSA-N 1 0 321.425 0.773 10 30 DCEERO C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@@H]1CCC(=O)NC1 ZINC000261653110 526383497 /nfs/dbraw/zinc/38/34/97/526383497.db2.gz FFRJGORUNFEXJO-GFCCVEGCSA-N 1 0 304.398 0.091 10 30 DCEERO C[NH+]=C(NCc1ccccn1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261690431 526384800 /nfs/dbraw/zinc/38/48/00/526384800.db2.gz FCCZQJWULMNZCZ-MRXNPFEDSA-N 1 0 301.394 0.759 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)Nc2cnn(CC(=O)NC)c2)CC1 ZINC000357829470 526442734 /nfs/dbraw/zinc/44/27/34/526442734.db2.gz FFJBMFZIORSSJJ-UHFFFAOYSA-N 1 0 320.397 0.401 10 30 DCEERO N#Cc1ccccc1OCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160255640 526746303 /nfs/dbraw/zinc/74/63/03/526746303.db2.gz WOURWZHZCSPMLX-HNNXBMFYSA-N 1 0 317.389 0.900 10 30 DCEERO C=CC[C@H](CO)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000358998160 527195355 /nfs/dbraw/zinc/19/53/55/527195355.db2.gz WHWHDOMPPLBCMV-CQSZACIVSA-N 1 0 311.426 0.868 10 30 DCEERO CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262349778 528815386 /nfs/dbraw/zinc/81/53/86/528815386.db2.gz DYJPBMYVQFVSAQ-BXUZGUMPSA-N 1 0 314.455 0.030 10 30 DCEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)CCNS(C)(=O)=O ZINC000178490350 660792340 /nfs/dbraw/zinc/79/23/40/660792340.db2.gz RTUCBPOOIJICCF-LBPRGKRZSA-N 1 0 304.412 0.203 10 30 DCEERO CN(CC(=O)N1CC[NH2+]CC1)c1cc(C#N)c2ccccc2n1 ZINC000261822748 661729870 /nfs/dbraw/zinc/72/98/70/661729870.db2.gz WTVDIXJXVPTERN-UHFFFAOYSA-N 1 0 309.373 0.974 10 30 DCEERO [NH2+]=C(NCc1ccc(-n2ccnc2)nc1)NC[C@@H]1CCCO1 ZINC000303261677 662445839 /nfs/dbraw/zinc/44/58/39/662445839.db2.gz OSGWODUDMHETMO-ZDUSSCGKSA-N 1 0 300.366 0.851 10 30 DCEERO CC[NH+]1CCC(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000732700658 664952952 /nfs/dbraw/zinc/95/29/52/664952952.db2.gz LCJGVAANIMTNCR-OAHLLOKOSA-N 1 0 305.426 0.852 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@H]1O)NCC1(C(=O)N(C)C)CCCC1 ZINC000262760175 665176945 /nfs/dbraw/zinc/17/69/45/665176945.db2.gz CVJKJJWNJWVDBK-UONOGXRCSA-N 1 0 324.469 0.961 10 30 DCEERO CCS(=O)(=O)N(C)CCCNC(=[NH2+])NC1CCCCC1 ZINC000104172930 667964049 /nfs/dbraw/zinc/96/40/49/667964049.db2.gz CPSODPFJXPWACD-UHFFFAOYSA-N 1 0 304.460 0.895 10 30 DCEERO N#CCCC[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000079880820 1174427910 /nfs/dbraw/zinc/42/79/10/1174427910.db2.gz MTPQFCQXXKCVJR-UHFFFAOYSA-N 1 0 306.410 0.726 10 30 DCEERO C[S@](=O)CCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000229232795 1179195693 /nfs/dbraw/zinc/19/56/93/1179195693.db2.gz XSNBLDQCSRHHHH-IBGZPJMESA-N 1 0 314.432 0.690 10 30 DCEERO COc1ccccc1CNC(=O)[C@H](C)[N+]12CCN(CC1)CC2 ZINC000015454164 717111613 /nfs/dbraw/zinc/11/16/13/717111613.db2.gz FVZQWDXNWMSMBA-AWEZNQCLSA-O 1 0 304.414 0.846 10 30 DCEERO C[C@@H](C(=O)NC(=O)NCc1cccs1)[N+]12CCN(CC1)CC2 ZINC000024934771 717113596 /nfs/dbraw/zinc/11/35/96/717113596.db2.gz FYWOMUCRAQTOCG-LBPRGKRZSA-O 1 0 323.442 0.608 10 30 DCEERO CCc1nc(CNC(N[C@H]2CCC(=O)N(C)C2)=[NH+]C)cs1 ZINC000262804987 529735511 /nfs/dbraw/zinc/73/55/11/529735511.db2.gz SIRRBBITOYEXRI-JTQLQIEISA-N 1 0 309.439 0.991 10 30 DCEERO CN(CCC#N)C(=O)CC[NH+]1CCN(c2cccnn2)CC1 ZINC000181556455 529867285 /nfs/dbraw/zinc/86/72/85/529867285.db2.gz XTNTVYUOTKHIQY-UHFFFAOYSA-N 1 0 302.382 0.361 10 30 DCEERO CC(C)NC(=O)NCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000028263764 395695931 /nfs/dbraw/zinc/69/59/31/395695931.db2.gz YZVYKRSPYVRHBU-AWEZNQCLSA-N 1 0 320.393 0.595 10 30 DCEERO CN(C)C(=O)CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000163080823 396085723 /nfs/dbraw/zinc/08/57/23/396085723.db2.gz TVPLFSAEZVPCRK-UHFFFAOYSA-N 1 0 309.391 0.400 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)NCCCN2CCCC2=O)CC1 ZINC000171690575 396122183 /nfs/dbraw/zinc/12/21/83/396122183.db2.gz PVIVORGJEPRCAK-UHFFFAOYSA-N 1 0 308.426 0.949 10 30 DCEERO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000375956674 396850254 /nfs/dbraw/zinc/85/02/54/396850254.db2.gz YHCKZBIDKDJYJV-STQMWFEESA-N 1 0 314.455 0.929 10 30 DCEERO CN(CCC#N)C(=O)CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000591664008 396969067 /nfs/dbraw/zinc/96/90/67/396969067.db2.gz GUNZFRHENJVEID-ZNMIVQPWSA-N 1 0 308.426 0.326 10 30 DCEERO C=C(C)C[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000630972438 397149233 /nfs/dbraw/zinc/14/92/33/397149233.db2.gz VYOUUKRHEFUBHU-QWHCGFSZSA-N 1 0 322.409 0.460 10 30 DCEERO C=C(C)C[C@@H](NC(=O)CCN1CC[NH+](CC)CC1)C(=O)OC ZINC000601781728 397243934 /nfs/dbraw/zinc/24/39/34/397243934.db2.gz KPCJWCKEGQUGEO-CQSZACIVSA-N 1 0 311.426 0.638 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000614449478 397439932 /nfs/dbraw/zinc/43/99/32/397439932.db2.gz FNHZJVNZKCUYOG-OAHLLOKOSA-N 1 0 324.469 0.600 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000424933677 397403745 /nfs/dbraw/zinc/40/37/45/397403745.db2.gz RONUHYSDWSXTTI-IHRRRGAJSA-N 1 0 309.410 0.104 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000425455908 397404619 /nfs/dbraw/zinc/40/46/19/397404619.db2.gz VHCMCBUMPPFPCN-KKUMJFAQSA-N 1 0 311.426 0.988 10 30 DCEERO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000105797792 415629237 /nfs/dbraw/zinc/62/92/37/415629237.db2.gz YLSRDNOLDHFREJ-OLZOCXBDSA-N 1 0 316.409 0.215 10 30 DCEERO C#CCNC(=O)[C@H](C)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864405 415637548 /nfs/dbraw/zinc/63/75/48/415637548.db2.gz QLEAPDVPQGZTSU-RYUDHWBXSA-N 1 0 305.382 0.195 10 30 DCEERO C#CCC(CC#C)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000288162435 415677078 /nfs/dbraw/zinc/67/70/78/415677078.db2.gz MBGUTLSNEDHRLH-INIZCTEOSA-N 1 0 315.417 0.414 10 30 DCEERO C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CC)CC1 ZINC000290452627 415806133 /nfs/dbraw/zinc/80/61/33/415806133.db2.gz SAZHEGCOEWQNKL-UHFFFAOYSA-N 1 0 318.425 0.842 10 30 DCEERO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@@H]1C ZINC000329241352 416157550 /nfs/dbraw/zinc/15/75/50/416157550.db2.gz RPJIVHQFLGGFEX-XDQVBPFNSA-N 1 0 322.413 0.547 10 30 DCEERO COc1cnc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)nc1 ZINC000328881852 416137376 /nfs/dbraw/zinc/13/73/76/416137376.db2.gz LKKPKCAPAFNXIQ-GFCCVEGCSA-N 1 0 321.381 0.685 10 30 DCEERO C[C@@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@H]1[NH+](C)C ZINC000329392956 416166251 /nfs/dbraw/zinc/16/62/51/416166251.db2.gz UJCLCOIWKAWIQP-YVECIDJPSA-N 1 0 308.386 0.014 10 30 DCEERO C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509899 416326715 /nfs/dbraw/zinc/32/67/15/416326715.db2.gz NCHYKWDZHPZMNZ-CYBMUJFWSA-N 1 0 304.394 0.193 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000424547048 416663913 /nfs/dbraw/zinc/66/39/13/416663913.db2.gz OAOGNVBKMLHKMO-XUXIUFHCSA-N 1 0 309.410 0.280 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000615349110 416816090 /nfs/dbraw/zinc/81/60/90/416816090.db2.gz NLXOYKRYUKXOPD-OWCLPIDISA-N 1 0 323.437 0.779 10 30 DCEERO CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000408038458 417136881 /nfs/dbraw/zinc/13/68/81/417136881.db2.gz NENCRILGYZUFEP-YCPHGPKFSA-N 1 0 308.426 0.446 10 30 DCEERO C=CCCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627023481 417214180 /nfs/dbraw/zinc/21/41/80/417214180.db2.gz VNMPLWMDKDRDSH-UHFFFAOYSA-N 1 0 309.414 0.305 10 30 DCEERO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000451128482 417303235 /nfs/dbraw/zinc/30/32/35/417303235.db2.gz XPRWBATZQVCGRR-AWEZNQCLSA-N 1 0 322.405 0.699 10 30 DCEERO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627290399 417333473 /nfs/dbraw/zinc/33/34/73/417333473.db2.gz OTPDDJQHRWALNG-XJFOESAGSA-N 1 0 309.410 0.341 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627428001 417406044 /nfs/dbraw/zinc/40/60/44/417406044.db2.gz SQNXMMIFBJVTOK-IYBDPMFKSA-N 1 0 309.410 0.153 10 30 DCEERO C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452607 417419507 /nfs/dbraw/zinc/41/95/07/417419507.db2.gz OMIDVDNFPBDVIR-UONOGXRCSA-N 1 0 323.437 0.862 10 30 DCEERO C=C[C@@H]1OCC[C@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000456143574 417629660 /nfs/dbraw/zinc/62/96/60/417629660.db2.gz HASDIBCBJGASOU-CABCVRRESA-N 1 0 316.405 0.907 10 30 DCEERO C[NH+](C)C[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCO1 ZINC000119449692 276803946 /nfs/dbraw/zinc/80/39/46/276803946.db2.gz VTLHXZIPQRCMOA-AWEZNQCLSA-N 1 0 316.357 0.556 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCC3(CCOCC3)[C@H]2O)CCO1 ZINC000261676722 278627486 /nfs/dbraw/zinc/62/74/86/278627486.db2.gz PWVNIPYOUMXDTF-RDBSUJKOSA-N 1 0 311.426 0.590 10 30 DCEERO C=CCn1cc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)nn1 ZINC000583989318 331517819 /nfs/dbraw/zinc/51/78/19/331517819.db2.gz WITQEJJQNYKHJM-SNVBAGLBSA-N 1 0 300.313 0.261 10 30 DCEERO C[NH+]=C(NCc1cccc(CO)c1)N1CCN(C2CC2)C(=O)C1 ZINC000262758065 337620985 /nfs/dbraw/zinc/62/09/85/337620985.db2.gz FFEUTPXXKSPCTD-UHFFFAOYSA-N 1 0 316.405 0.561 10 30 DCEERO CC#CCN(C)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000516492521 338013785 /nfs/dbraw/zinc/01/37/85/338013785.db2.gz MJQIBGVDJKTYNP-UHFFFAOYSA-N 1 0 308.426 0.642 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000425866966 338017997 /nfs/dbraw/zinc/01/79/97/338017997.db2.gz RDTUBIGJWUVFIK-JSGCOSHPSA-N 1 0 309.410 0.294 10 30 DCEERO C=CCc1cc(C[NH2+]C[C@H](O)Cn2ccnn2)cc(OC)c1O ZINC000459697299 339043388 /nfs/dbraw/zinc/04/33/88/339043388.db2.gz MFUWJXVSYCIYRR-AWEZNQCLSA-N 1 0 318.377 0.872 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NC[C@@H]2CCN(CC(F)(F)F)C2)CCO1 ZINC000262475697 533788151 /nfs/dbraw/zinc/78/81/51/533788151.db2.gz QCBSTRNOEFQPLQ-QWRGUYRKSA-N 1 0 308.348 0.906 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCc2nn(C)cc2Br)CCO1 ZINC000263068586 534271822 /nfs/dbraw/zinc/27/18/22/534271822.db2.gz GLRDBGKGACGACZ-MRVPVSSYSA-N 1 0 316.203 0.718 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCN(CC(F)(F)F)C2)CCO1 ZINC000262475694 534271930 /nfs/dbraw/zinc/27/19/30/534271930.db2.gz QCBSTRNOEFQPLQ-GHMZBOCLSA-N 1 0 308.348 0.906 10 30 DCEERO C[NH+]=C(NCCNS(C)(=O)=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261861590 526360809 /nfs/dbraw/zinc/36/08/09/526360809.db2.gz YNVIMISVXCBYNZ-RYUDHWBXSA-N 1 0 302.444 0.233 10 30 DCEERO C[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1CCc2ccccc2C1 ZINC000262599554 526362657 /nfs/dbraw/zinc/36/26/57/526362657.db2.gz YBDCTSXSTMKWFI-CQSZACIVSA-N 1 0 324.450 0.258 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)NCc2cc(C(N)=O)co2)CC1 ZINC000187040158 526435602 /nfs/dbraw/zinc/43/56/02/526435602.db2.gz BKUKKTAARDKSQP-UHFFFAOYSA-N 1 0 306.366 0.828 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000262565587 526535313 /nfs/dbraw/zinc/53/53/13/526535313.db2.gz WOXFWWWPFKAIMD-UHFFFAOYSA-N 1 0 316.405 0.205 10 30 DCEERO C#Cc1cccc(NC(=O)CNC(=[NH2+])NC[C@@H]2CCCO2)c1 ZINC000261877500 527448467 /nfs/dbraw/zinc/44/84/67/527448467.db2.gz QHKIKPVLRDRZBJ-AWEZNQCLSA-N 1 0 300.362 0.690 10 30 DCEERO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246613741 527614736 /nfs/dbraw/zinc/61/47/36/527614736.db2.gz YGKYIYXNFCUWTF-HZPDHXFCSA-N 1 0 307.438 0.840 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCOC1)NC[C@@H]1CCc2nnc(C)n2C1 ZINC000262827585 528811826 /nfs/dbraw/zinc/81/18/26/528811826.db2.gz YUHAJAGCAARPBJ-KBPBESRZSA-N 1 0 320.441 0.741 10 30 DCEERO CC[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@@H]1CCC(=O)NC1 ZINC000262768475 528815497 /nfs/dbraw/zinc/81/54/97/528815497.db2.gz HXAHPTUSLJHJRT-ABAIWWIYSA-N 1 0 308.382 0.321 10 30 DCEERO CCC(O)(CC)CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261947037 528965529 /nfs/dbraw/zinc/96/55/29/528965529.db2.gz GFKHALDEAOENED-UHFFFAOYSA-N 1 0 319.471 0.622 10 30 DCEERO CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329377304 546047431 /nfs/dbraw/zinc/04/74/31/546047431.db2.gz ONCBTLBTJKQTDZ-ZIAGYGMSSA-N 1 0 310.442 0.836 10 30 DCEERO [NH2+]=C(NCCNC(=O)c1ccccc1F)NC[C@@H]1CCCO1 ZINC000195523050 659550380 /nfs/dbraw/zinc/55/03/80/659550380.db2.gz UPKZHMPNQSZJGZ-NSHDSACASA-N 1 0 308.357 0.639 10 30 DCEERO N#Cc1ccc(S(=O)(=O)NCCN2CCC([NH3+])CC2)s1 ZINC000721889668 663500025 /nfs/dbraw/zinc/50/00/25/663500025.db2.gz JNFRTLRROYDTEI-UHFFFAOYSA-N 1 0 314.436 0.321 10 30 DCEERO N#C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCN1C1CC1 ZINC000736666968 667218097 /nfs/dbraw/zinc/21/80/97/667218097.db2.gz YDMFKWUXRUVKPS-HOCLYGCPSA-N 1 0 317.437 0.852 10 30 DCEERO C#CCC[NH+]1CCN(Cc2csc(CC(=O)NC)n2)CC1 ZINC000127396984 668944656 /nfs/dbraw/zinc/94/46/56/668944656.db2.gz QKDFVEZTGMXLRB-UHFFFAOYSA-N 1 0 306.435 0.573 10 30 DCEERO CC[NH+]=C(NCCOCC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158573696 669927522 /nfs/dbraw/zinc/92/75/22/669927522.db2.gz GMQJMNLYWOAHRS-UHFFFAOYSA-N 1 0 305.444 0.497 10 30 DCEERO CN1CC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000163070997 1182497621 /nfs/dbraw/zinc/49/76/21/1182497621.db2.gz QWIPJJRPJSPGKH-CQSZACIVSA-N 1 0 307.419 0.873 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCC)CC1 ZINC000425864525 1190408851 /nfs/dbraw/zinc/40/88/51/1190408851.db2.gz NNJBRDZGTLLPDE-ZFWWWQNUSA-N 1 0 323.437 0.684 10 30 DCEERO COC(=O)c1ccc(NC(=O)C[N+]23CCN(CC2)CC3)cc1 ZINC000007613231 717105972 /nfs/dbraw/zinc/10/59/72/717105972.db2.gz GYFMZZKAGQPTOK-UHFFFAOYSA-O 1 0 304.370 0.558 10 30 DCEERO C[NH+]=C(NCC(=O)N[C@H]1CCOc2ccccc21)NC1CC1 ZINC000261865472 530039274 /nfs/dbraw/zinc/03/92/74/530039274.db2.gz RSTRENXRYCGGJW-ZDUSSCGKSA-N 1 0 302.378 0.954 10 30 DCEERO Cc1nnc(CNC(NCc2ccnn2C)=[NH+]C2CC2)n1C ZINC000262009106 238169817 /nfs/dbraw/zinc/16/98/17/238169817.db2.gz WEYYXUVHENEUBF-UHFFFAOYSA-N 1 0 302.386 0.255 10 30 DCEERO [NH2+]=C(NCc1ccc(N2CCOCC2)nc1)NC[C@@H]1CCCO1 ZINC000261707558 238165401 /nfs/dbraw/zinc/16/54/01/238165401.db2.gz DEDSWMZKPJUCLJ-AWEZNQCLSA-N 1 0 319.409 0.502 10 30 DCEERO NC(=O)C1CCN(c2ncccc2CNC(=[NH2+])NC2CC2)CC1 ZINC000263273616 238186946 /nfs/dbraw/zinc/18/69/46/238186946.db2.gz XNYGNOLLPLUQPI-UHFFFAOYSA-N 1 0 316.409 0.350 10 30 DCEERO COC[C@@H](O)C[NH+]1CCC(Nc2nnc(C)c(C)c2C#N)CC1 ZINC000089646239 395713649 /nfs/dbraw/zinc/71/36/49/395713649.db2.gz QSHVATHNBJGLQR-AWEZNQCLSA-N 1 0 319.409 0.849 10 30 DCEERO C[C@@H]1CN(C(=O)c2ccnc(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000194065511 395787073 /nfs/dbraw/zinc/78/70/73/395787073.db2.gz ALHZVGTYRQDFQR-GFCCVEGCSA-N 1 0 302.378 0.870 10 30 DCEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054887254 395907377 /nfs/dbraw/zinc/90/73/77/395907377.db2.gz MUAFPQIWWWIVRK-KGLIPLIRSA-N 1 0 309.410 0.248 10 30 DCEERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000253357393 396026046 /nfs/dbraw/zinc/02/60/46/396026046.db2.gz ABCVLBMFJJRQFC-BPLDGKMQSA-N 1 0 317.389 0.884 10 30 DCEERO CC(C)[C@H](CNC(=O)c1ccnc(C#N)c1)[NH+]1CCN(C)CC1 ZINC000193249332 396446970 /nfs/dbraw/zinc/44/69/70/396446970.db2.gz CHLCGHONVALUDX-INIZCTEOSA-N 1 0 315.421 0.955 10 30 DCEERO C[NH+](C)CCCN1C(=O)C[C@H](N2CCC(C)(C#N)CC2)C1=O ZINC000541859030 396610594 /nfs/dbraw/zinc/61/05/94/396610594.db2.gz HIWRDBHGBQPAEC-ZDUSSCGKSA-N 1 0 306.410 0.691 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CC[C@@H](C[NH3+])c2ccccc21 ZINC000601962221 397274275 /nfs/dbraw/zinc/27/42/75/397274275.db2.gz BXDAIRRNHRGCCJ-LBPRGKRZSA-N 1 0 302.378 0.951 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000613602304 397286723 /nfs/dbraw/zinc/28/67/23/397286723.db2.gz IBWWNLIOADMZRV-GOEBONIOSA-N 1 0 324.469 0.600 10 30 DCEERO COc1cc(C#N)ccc1S(=O)(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000262111683 158773964 /nfs/dbraw/zinc/77/39/64/158773964.db2.gz USGIEVJRILRGLO-AWEZNQCLSA-N 1 0 309.391 0.973 10 30 DCEERO O=[N+]([O-])c1cccc(/C=N/CC[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000005893488 415135144 /nfs/dbraw/zinc/13/51/44/415135144.db2.gz JPBJMJSIOYEQPR-ZMTLZGASSA-N 1 0 311.363 0.790 10 30 DCEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000076734850 415458900 /nfs/dbraw/zinc/45/89/00/415458900.db2.gz RXVKWLGOJJJBAT-SNVBAGLBSA-N 1 0 308.382 0.135 10 30 DCEERO C=CCNC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000117467814 415731441 /nfs/dbraw/zinc/73/14/41/415731441.db2.gz LZZOMNJPQDSNJH-HNNXBMFYSA-N 1 0 310.442 0.609 10 30 DCEERO CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CCNC1=O ZINC000328888114 416137394 /nfs/dbraw/zinc/13/73/94/416137394.db2.gz PIRZATADZGETLS-ZWNOBZJWSA-N 1 0 300.428 0.998 10 30 DCEERO Cc1c(C#N)cccc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000179925525 416193788 /nfs/dbraw/zinc/19/37/88/416193788.db2.gz ZUJWMIMJDGYURF-AWEZNQCLSA-N 1 0 318.377 0.681 10 30 DCEERO C=CCNc1ncc(C(=O)N2CCN(CCO)[C@@H](C)C2)s1 ZINC000189617100 416268200 /nfs/dbraw/zinc/26/82/00/416268200.db2.gz ICYZMGAADANOOO-NSHDSACASA-N 1 0 310.423 0.880 10 30 DCEERO C=CCN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000265034922 416339892 /nfs/dbraw/zinc/33/98/92/416339892.db2.gz LVBNUZUYHMPXIK-NSHDSACASA-N 1 0 321.343 0.973 10 30 DCEERO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(C#N)n2C)CC1 ZINC000448978645 417115473 /nfs/dbraw/zinc/11/54/73/417115473.db2.gz YJTQPUFMBRRLJT-AWEZNQCLSA-N 1 0 317.437 0.900 10 30 DCEERO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(C#N)n2C)CC1 ZINC000448976731 417116023 /nfs/dbraw/zinc/11/60/23/417116023.db2.gz VFOYWXZXGAVZNE-CYBMUJFWSA-N 1 0 303.410 0.653 10 30 DCEERO C=CCn1cc(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)nn1 ZINC000627105199 417231792 /nfs/dbraw/zinc/23/17/92/417231792.db2.gz YRAAORZDQODLHE-GASCZTMLSA-N 1 0 304.398 0.605 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621847662 417323026 /nfs/dbraw/zinc/32/30/26/417323026.db2.gz HPMSIFSZZQCZDR-QCQGSNGOSA-N 1 0 307.394 0.034 10 30 DCEERO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627290397 417333235 /nfs/dbraw/zinc/33/32/35/417333235.db2.gz OTPDDJQHRWALNG-IGQOVBAYSA-N 1 0 309.410 0.341 10 30 DCEERO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1CCC[C@@H]1C#N ZINC000262817327 275733966 /nfs/dbraw/zinc/73/39/66/275733966.db2.gz WDIGPMRWKAVZQY-DGCLKSJQSA-N 1 0 303.414 0.843 10 30 DCEERO CC[NH+]=C(NCC(C)(C)OC)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261836173 280836704 /nfs/dbraw/zinc/83/67/04/280836704.db2.gz WBKDTBFSLTVUOE-MRXNPFEDSA-N 1 0 310.442 0.979 10 30 DCEERO CO[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1OC ZINC000330175627 336120880 /nfs/dbraw/zinc/12/08/80/336120880.db2.gz JHMBDGHVLIGFHY-GASCZTMLSA-N 1 0 311.426 0.915 10 30 DCEERO C[C@H]1OCC[C@H]1NC(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000330203358 336124114 /nfs/dbraw/zinc/12/41/14/336124114.db2.gz ASBROPGTZMXQRM-GRYCIOLGSA-N 1 0 314.386 0.246 10 30 DCEERO C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCOC1)N1CCOCC1 ZINC000330342550 336172748 /nfs/dbraw/zinc/17/27/48/336172748.db2.gz BAWZBXLYLKTXCZ-VXGBXAGGSA-N 1 0 308.382 0.939 10 30 DCEERO Cc1cc(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)n[nH]1 ZINC000187274550 337264655 /nfs/dbraw/zinc/26/46/55/337264655.db2.gz CVJAPAKOZCNKGM-UHFFFAOYSA-N 1 0 304.398 0.602 10 30 DCEERO CN(CCC#N)S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261615223 337607973 /nfs/dbraw/zinc/60/79/73/337607973.db2.gz CRWOJPXFNVILMR-ZDUSSCGKSA-N 1 0 309.395 0.118 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000425911024 338018856 /nfs/dbraw/zinc/01/88/56/338018856.db2.gz ZUJASNQOSVXFMB-IHRRRGAJSA-N 1 0 309.410 0.246 10 30 DCEERO CC[C@@H]1CN(CCC(=O)N(C)CCC#N)CC[N@@H+]1C[C@@H](C)O ZINC000131506464 341092534 /nfs/dbraw/zinc/09/25/34/341092534.db2.gz JELSRGFCDGDOAS-HUUCEWRRSA-N 1 0 310.442 0.526 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCCc2nnc3n2CCCCC3)CCO1 ZINC000262487662 534271362 /nfs/dbraw/zinc/27/13/62/534271362.db2.gz TUNCPDWRSLGPNX-GFCCVEGCSA-N 1 0 306.414 0.582 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCCC2CCS(=O)(=O)CC2)CCO1 ZINC000262450977 534271418 /nfs/dbraw/zinc/27/14/18/534271418.db2.gz JTOVCZZKNGTPOU-LLVKDONJSA-N 1 0 303.428 0.237 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000425876464 534587926 /nfs/dbraw/zinc/58/79/26/534587926.db2.gz BEOXXJYLAMUTGX-AJNGGQMLSA-N 1 0 323.437 0.683 10 30 DCEERO C[NH+]=C(NCCN(C)C1CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000262431011 526354738 /nfs/dbraw/zinc/35/47/38/526354738.db2.gz DZOFMXBHLITSEE-HNNXBMFYSA-N 1 0 309.458 0.063 10 30 DCEERO C[NH+]=C(NCCc1sc(C)nc1C)N[C@H]1CCC(=O)NC1 ZINC000262816216 526366516 /nfs/dbraw/zinc/36/65/16/526366516.db2.gz VWTBQVMZQRIVFZ-NSHDSACASA-N 1 0 309.439 0.746 10 30 DCEERO C[NH+]=C(NC[C@@H](C)N(C)C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261656325 526369188 /nfs/dbraw/zinc/36/91/88/526369188.db2.gz BIOWPJZPVRNGCH-CYBMUJFWSA-N 1 0 311.474 0.843 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC1CCN(C(=O)C2CC2)CC1 ZINC000262762762 526369810 /nfs/dbraw/zinc/36/98/10/526369810.db2.gz DXDAFLWJEARAJI-ZFWWWQNUSA-N 1 0 322.453 0.713 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCOC1)N1CCN(Cc2ccon2)CC1 ZINC000152875314 526371277 /nfs/dbraw/zinc/37/12/77/526371277.db2.gz BQFGRBLMLGQZIO-ZDUSSCGKSA-N 1 0 307.398 0.404 10 30 DCEERO C[NH+]=C(NCc1cccc(OC)n1)N[C@@H]1CCN(C2CC2)C1 ZINC000262835453 526384056 /nfs/dbraw/zinc/38/40/56/526384056.db2.gz WEVMXGOJIGTRPY-CYBMUJFWSA-N 1 0 303.410 0.992 10 30 DCEERO C[NH+]=C(NCc1nnc2ccccn21)N1CCO[C@H](COC)C1 ZINC000179266523 526391973 /nfs/dbraw/zinc/39/19/73/526391973.db2.gz RPGFNBKRLJDGNR-LBPRGKRZSA-N 1 0 318.381 0.152 10 30 DCEERO C[NH+]=C(NCC1(SC)CCOCC1)N[C@@H]1CCC(=O)NC1 ZINC000262809116 526413034 /nfs/dbraw/zinc/41/30/34/526413034.db2.gz SYKUQUFUPBEZJR-LLVKDONJSA-N 1 0 314.455 0.342 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263283175 526534501 /nfs/dbraw/zinc/53/45/01/526534501.db2.gz UOPHAMCUOBUYIA-YOEHRIQHSA-N 1 0 322.453 0.340 10 30 DCEERO C=CCOCCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000365445612 526774711 /nfs/dbraw/zinc/77/47/11/526774711.db2.gz WWDKVHALEPSGBB-UHFFFAOYSA-N 1 0 324.469 0.858 10 30 DCEERO CCN(CC)CCNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158633889 528126350 /nfs/dbraw/zinc/12/63/50/528126350.db2.gz BMQFVGHIEWIBJO-UHFFFAOYSA-N 1 0 318.487 0.413 10 30 DCEERO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000369121544 528710088 /nfs/dbraw/zinc/71/00/88/528710088.db2.gz GXXFWIXIUGWALM-MCIONIFRSA-N 1 0 314.455 0.739 10 30 DCEERO CC[NH+]=C(NC[C@H](O)C(F)(F)F)N1CC[C@@]2(CCOC2)C1 ZINC000262015355 528814289 /nfs/dbraw/zinc/81/42/89/528814289.db2.gz XPJINXSYQKHYHP-CMPLNLGQSA-N 1 0 309.332 0.988 10 30 DCEERO CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000262784322 529349873 /nfs/dbraw/zinc/34/98/73/529349873.db2.gz MDWPIFCJIHVPEG-IFUGULHKSA-N 1 0 320.441 0.951 10 30 DCEERO C[NH+]1CCN(CCNC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000329761935 546054717 /nfs/dbraw/zinc/05/47/17/546054717.db2.gz SCHIJOXQYXKFAH-UHFFFAOYSA-N 1 0 311.386 0.361 10 30 DCEERO C[S@@](=O)CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000158078589 658034042 /nfs/dbraw/zinc/03/40/42/658034042.db2.gz KOWUJQFHZRPZQT-SFHVURJKSA-N 1 0 300.405 0.300 10 30 DCEERO CC[NH+]=C(NC[C@H]1CCCO1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261963010 661933360 /nfs/dbraw/zinc/93/33/60/661933360.db2.gz KSVUVMLPWMXUOX-GFCCVEGCSA-N 1 0 317.455 0.640 10 30 DCEERO CC[NH+]=C(NCC(C)(C)OC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261987192 661942975 /nfs/dbraw/zinc/94/29/75/661942975.db2.gz QKJWDUSHBDAZQP-UHFFFAOYSA-N 1 0 319.471 0.886 10 30 DCEERO CC[NH+]=C(NCCc1nc(C)no1)N1CC[C@]2(CCOC2)C1 ZINC000262004608 664752202 /nfs/dbraw/zinc/75/22/02/664752202.db2.gz VHKSFKMGNKOSDC-HNNXBMFYSA-N 1 0 307.398 0.998 10 30 DCEERO N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCN1C1CC1 ZINC000736666962 667217885 /nfs/dbraw/zinc/21/78/85/667217885.db2.gz YDMFKWUXRUVKPS-GDBMZVCRSA-N 1 0 317.437 0.852 10 30 DCEERO CC[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000173457932 529700210 /nfs/dbraw/zinc/70/02/10/529700210.db2.gz KDEFRRGJSALBEU-INIZCTEOSA-N 1 0 316.405 0.885 10 30 DCEERO C[NH+](C)CCCN(CCC#N)C(=O)CNC(=O)c1cccnc1 ZINC000164953939 237116495 /nfs/dbraw/zinc/11/64/95/237116495.db2.gz KBFOJBJJZNVPTQ-UHFFFAOYSA-N 1 0 317.393 0.505 10 30 DCEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCn2cccn2)c1 ZINC000158826984 291233009 /nfs/dbraw/zinc/23/30/09/291233009.db2.gz TTYOOQBTWSHPHV-UHFFFAOYSA-N 1 0 304.375 0.818 10 30 DCEERO Cc1nnc(CNC(NC[C@@H]2CCCO2)=[NH+][C@@H]2C[C@@H]2C)n1C ZINC000261945147 238168137 /nfs/dbraw/zinc/16/81/37/238168137.db2.gz FRVDALVSZNZHMF-WCFLWFBJSA-N 1 0 306.414 0.746 10 30 DCEERO N#CCNC(=O)COc1ccc(Br)cc1CC[NH3+] ZINC000037720799 182920062 /nfs/dbraw/zinc/92/00/62/182920062.db2.gz SQEVXIMFZZIXKL-UHFFFAOYSA-N 1 0 312.167 0.969 10 30 DCEERO COc1cc2c(cc1OC)CN(CCNC1=[NH+]C[C@@H](C)N1)CC2 ZINC000262200853 533169718 /nfs/dbraw/zinc/16/97/18/533169718.db2.gz ASGRNAAVTCECQM-GFCCVEGCSA-N 1 0 318.421 0.999 10 30 DCEERO C[N@H+]1C[C@H]2CN(CCS(=O)(=O)c3cccc(C#N)c3)C[C@H]2C1 ZINC000193631989 395774553 /nfs/dbraw/zinc/77/45/53/395774553.db2.gz OUPZSNQINQTYOO-GASCZTMLSA-N 1 0 319.430 0.825 10 30 DCEERO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170858178 396098818 /nfs/dbraw/zinc/09/88/18/396098818.db2.gz ICEZZNNAFZCKGK-ZDUSSCGKSA-N 1 0 316.405 0.959 10 30 DCEERO COC[C@@](C)(CCO)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000079921012 396272289 /nfs/dbraw/zinc/27/22/89/396272289.db2.gz FSNFENAMYYXQPU-GDBMZVCRSA-N 1 0 308.378 0.675 10 30 DCEERO COc1ccc(C#N)cc1C[N@@H+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000585803672 396658909 /nfs/dbraw/zinc/65/89/09/396658909.db2.gz VYZGTXIJUNSNEG-MRXNPFEDSA-N 1 0 313.361 0.795 10 30 DCEERO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595521986 396623359 /nfs/dbraw/zinc/62/33/59/396623359.db2.gz HLBKJQUUWHTPGC-UPJWGTAASA-N 1 0 310.394 0.862 10 30 DCEERO C=CCNC(=O)NC(=O)CN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000328556422 396823423 /nfs/dbraw/zinc/82/34/23/396823423.db2.gz AICWGGSAKDZCHW-GFCCVEGCSA-N 1 0 302.378 0.636 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000611874948 396941145 /nfs/dbraw/zinc/94/11/45/396941145.db2.gz NRMUTQRWCDCNJO-MRXNPFEDSA-N 1 0 323.437 0.781 10 30 DCEERO C[C@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619598026 397155619 /nfs/dbraw/zinc/15/56/19/397155619.db2.gz ARNLJYHATGYZNB-TZMCWYRMSA-N 1 0 316.409 0.901 10 30 DCEERO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(C#N)s1 ZINC000599106805 397338848 /nfs/dbraw/zinc/33/88/48/397338848.db2.gz IPNGBPNAVZBQTM-UHFFFAOYSA-N 1 0 303.409 0.476 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000614659933 397492198 /nfs/dbraw/zinc/49/21/98/397492198.db2.gz DZLGCPRUPHHICW-GJZGRUSLSA-N 1 0 311.426 0.420 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000614659935 397492341 /nfs/dbraw/zinc/49/23/41/397492341.db2.gz DZLGCPRUPHHICW-LSDHHAIUSA-N 1 0 311.426 0.420 10 30 DCEERO C=CCCn1cc(CN2CC[N@@H+](CCC(=O)OC)C[C@H]2C)nn1 ZINC000593970536 397488458 /nfs/dbraw/zinc/48/84/58/397488458.db2.gz MOWQNVQIGOUSAG-CQSZACIVSA-N 1 0 321.425 0.923 10 30 DCEERO C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602925519 397524562 /nfs/dbraw/zinc/52/45/62/397524562.db2.gz XTQXXZNDPCALHI-ZIAGYGMSSA-N 1 0 319.361 0.122 10 30 DCEERO COC(=O)C(C)(C)N1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000494440233 397531709 /nfs/dbraw/zinc/53/17/09/397531709.db2.gz XBNIPKYIQIXFKR-UHFFFAOYSA-N 1 0 324.425 0.318 10 30 DCEERO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc(C#N)cn1C ZINC000081758463 415488702 /nfs/dbraw/zinc/48/87/02/415488702.db2.gz UEQJOZWDQQLWNQ-UHFFFAOYSA-N 1 0 317.437 0.995 10 30 DCEERO CC(C)[C@H](CNC(=O)c1cc(C#N)cn1C)[NH+]1CCN(C)CC1 ZINC000081758222 415488875 /nfs/dbraw/zinc/48/88/75/415488875.db2.gz KPDJFLUGPWAAIL-INIZCTEOSA-N 1 0 317.437 0.899 10 30 DCEERO CC[C@@H]1CN([C@@H](C)C(=O)N(C)CCC#N)CC[N@@H+]1CCOC ZINC000105836532 415635439 /nfs/dbraw/zinc/63/54/39/415635439.db2.gz OWPSADIRIYCPFV-LSDHHAIUSA-N 1 0 310.442 0.790 10 30 DCEERO C=CCNC(=O)[C@@H](C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863281 415637727 /nfs/dbraw/zinc/63/77/27/415637727.db2.gz KFYZVENLQYSQFX-OAHLLOKOSA-N 1 0 319.453 0.970 10 30 DCEERO C#CCC(CC#C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000287277932 415650234 /nfs/dbraw/zinc/65/02/34/415650234.db2.gz BVQUAUZOCJKPHX-UHFFFAOYSA-N 1 0 303.406 0.318 10 30 DCEERO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C#N)C2CC2)CC1=O ZINC000108904639 415683560 /nfs/dbraw/zinc/68/35/60/415683560.db2.gz ZDECWTIKBLGARB-KFWWJZLASA-N 1 0 318.421 0.738 10 30 DCEERO C[NH+](C)C[C@H]1CN(C(=O)c2ccccc2OCC#N)CCO1 ZINC000116794695 415728925 /nfs/dbraw/zinc/72/89/25/415728925.db2.gz FZRUPXNWZKQXSV-ZDUSSCGKSA-N 1 0 303.362 0.992 10 30 DCEERO CC[C@H](O)C[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000118858708 415737489 /nfs/dbraw/zinc/73/74/89/415737489.db2.gz KDALJCPQROAXRM-GOEBONIOSA-N 1 0 308.426 0.183 10 30 DCEERO C#CCSCCNC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000121524305 415809863 /nfs/dbraw/zinc/80/98/63/415809863.db2.gz PWDIJEKAZJZFNJ-HNNXBMFYSA-N 1 0 324.494 0.774 10 30 DCEERO C[NH+](C)C[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CCO1 ZINC000127954831 415891287 /nfs/dbraw/zinc/89/12/87/415891287.db2.gz IWYFJENTYXSZAG-INIZCTEOSA-N 1 0 317.389 0.920 10 30 DCEERO C=C(C)Cn1c(C)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000338847897 416148244 /nfs/dbraw/zinc/14/82/44/416148244.db2.gz OOQBWQAHOCTZSD-UHFFFAOYSA-N 1 0 320.441 0.763 10 30 DCEERO CCC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000329465768 416171468 /nfs/dbraw/zinc/17/14/68/416171468.db2.gz VRUKDVJIFGDDKE-IHRRRGAJSA-N 1 0 308.426 0.937 10 30 DCEERO Cn1cc([C@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)cn1 ZINC000329348608 416165761 /nfs/dbraw/zinc/16/57/61/416165761.db2.gz WCAGXIAPALCFBR-DZGCQCFKSA-N 1 0 320.441 0.369 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)CC1 ZINC000365464357 416603207 /nfs/dbraw/zinc/60/32/07/416603207.db2.gz FWFLOSNIZFTEPU-AGUYFDCRSA-N 1 0 306.406 0.995 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000424546764 416663384 /nfs/dbraw/zinc/66/33/84/416663384.db2.gz NQJGHEAWKPISSV-RFGFWPKPSA-N 1 0 309.410 0.137 10 30 DCEERO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOCC[C@H]2C)CC1 ZINC000374992608 416992504 /nfs/dbraw/zinc/99/25/04/416992504.db2.gz ZWAIMXWNVKETNO-CVEARBPZSA-N 1 0 322.453 0.790 10 30 DCEERO C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632301445 417012001 /nfs/dbraw/zinc/01/20/01/417012001.db2.gz ZUDPDWGJHUOYNF-IHRRRGAJSA-N 1 0 318.439 0.218 10 30 DCEERO C=CCCS(=O)(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528059051 417300661 /nfs/dbraw/zinc/30/06/61/417300661.db2.gz CSGLZQLAZVEGAE-AWEZNQCLSA-N 1 0 302.440 0.983 10 30 DCEERO C=CC(C)(C)CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000627412466 417399721 /nfs/dbraw/zinc/39/97/21/417399721.db2.gz MMSZGJHUNZWRLI-NWDGAFQWSA-N 1 0 311.426 0.934 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(=O)OC ZINC000451585419 417364673 /nfs/dbraw/zinc/36/46/73/417364673.db2.gz BIKMRBUCTSSWAR-TUAOUCFPSA-N 1 0 311.382 0.708 10 30 DCEERO C=CCC[C@@H](CO)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000456772475 417663933 /nfs/dbraw/zinc/66/39/33/417663933.db2.gz WWZJWQDMGJAZDT-AWEZNQCLSA-N 1 0 318.421 0.890 10 30 DCEERO CNC(=O)CN1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000363846754 262134220 /nfs/dbraw/zinc/13/42/20/262134220.db2.gz NBQKOYZSAXLXRE-MRXNPFEDSA-N 1 0 316.405 0.345 10 30 DCEERO C[NH+]=C(NCCN1CCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000179203771 277750185 /nfs/dbraw/zinc/75/01/85/277750185.db2.gz UBSFNOFIZCQDCY-UHFFFAOYSA-N 1 0 316.471 0.167 10 30 DCEERO CCNC(NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)=[NH+]CC ZINC000262267205 280844934 /nfs/dbraw/zinc/84/49/34/280844934.db2.gz HOCLYHBUXDHUJN-LBPRGKRZSA-N 1 0 319.475 0.222 10 30 DCEERO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246608786 289251002 /nfs/dbraw/zinc/25/10/02/289251002.db2.gz XZBJHQWMHDLGQS-RBSFLKMASA-N 1 0 308.426 0.399 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000574917397 332848135 /nfs/dbraw/zinc/84/81/35/332848135.db2.gz XFYUXOYDQGMQCC-AWEZNQCLSA-N 1 0 302.378 0.556 10 30 DCEERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000329948722 336098730 /nfs/dbraw/zinc/09/87/30/336098730.db2.gz ZHGGBVAJEHGYFS-XQQFMLRXSA-N 1 0 320.397 0.350 10 30 DCEERO CN(C)c1cc(NC(=O)NCC2CC[NH+](CCO)CC2)ncn1 ZINC000330237295 336128158 /nfs/dbraw/zinc/12/81/58/336128158.db2.gz HOOFYWWZGJBZEL-UHFFFAOYSA-N 1 0 322.413 0.573 10 30 DCEERO O=C(NC[C@@H](O)CN1CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC000330240978 336128501 /nfs/dbraw/zinc/12/85/01/336128501.db2.gz FMOSFFGTLBONBI-OAHLLOKOSA-N 1 0 311.426 0.510 10 30 DCEERO C=CCN(CC=C)C(=O)CN1CCN(c2cccnn2)CC1 ZINC000170650569 337082711 /nfs/dbraw/zinc/08/27/11/337082711.db2.gz ZBPFFNHEURLLBN-UHFFFAOYSA-N 1 0 301.394 0.799 10 30 DCEERO C=CC[C@H](CO)NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418606307 337387181 /nfs/dbraw/zinc/38/71/81/337387181.db2.gz BMXJXGORSWQZKW-MNOVXSKESA-N 1 0 324.347 0.059 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000425890941 338018419 /nfs/dbraw/zinc/01/84/19/338018419.db2.gz XMAHZOFQVAMFCA-KKUMJFAQSA-N 1 0 323.437 0.684 10 30 DCEERO C=CCN(C)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000459910786 339050595 /nfs/dbraw/zinc/05/05/95/339050595.db2.gz SVAIHJDIXYPZHL-HNNXBMFYSA-N 1 0 322.453 0.259 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCC(=O)N2CCc3ccccc32)CCO1 ZINC000262425762 533787855 /nfs/dbraw/zinc/78/78/55/533787855.db2.gz CNLSTCMNBATRFJ-LBPRGKRZSA-N 1 0 302.378 0.611 10 30 DCEERO C[NH+]=C(NC[C@H](O)c1ccccc1)N1CCN(C2CC2)C(=O)C1 ZINC000262780971 526375907 /nfs/dbraw/zinc/37/59/07/526375907.db2.gz KXESGZLCRNGXPG-HNNXBMFYSA-N 1 0 316.405 0.602 10 30 DCEERO C[NH+]=C(NCc1cc(C)no1)N1CC[C@H](N2CCOCC2)C1 ZINC000175526843 526381384 /nfs/dbraw/zinc/38/13/84/526381384.db2.gz JVLDGKPXKMQODZ-ZDUSSCGKSA-N 1 0 307.398 0.465 10 30 DCEERO C[NH+]=C(NCc1cccn1C)N1CCN(Cc2ccon2)CC1 ZINC000261865970 526385373 /nfs/dbraw/zinc/38/53/73/526385373.db2.gz ZYXPUEWHRKKLFH-UHFFFAOYSA-N 1 0 316.409 0.906 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000172584923 526440311 /nfs/dbraw/zinc/44/03/11/526440311.db2.gz PFMHDYXIBFCICF-OCCSQVGLSA-N 1 0 308.426 0.980 10 30 DCEERO C#CCC(CC#C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376713135 526674706 /nfs/dbraw/zinc/67/47/06/526674706.db2.gz YJMOGOKJXOLHCW-INIZCTEOSA-N 1 0 301.434 0.934 10 30 DCEERO C=CCOCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000373320419 526777264 /nfs/dbraw/zinc/77/72/64/526777264.db2.gz XOOSTQKUJCZRMK-HZPDHXFCSA-N 1 0 324.469 0.856 10 30 DCEERO CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000185520435 527383541 /nfs/dbraw/zinc/38/35/41/527383541.db2.gz YABMSLHJSNUSGP-CYBMUJFWSA-N 1 0 320.441 0.652 10 30 DCEERO C=CCN(CC=C)C(=O)CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000268446970 527609265 /nfs/dbraw/zinc/60/92/65/527609265.db2.gz ICGFONLWHUIIBW-UHFFFAOYSA-N 1 0 322.453 0.283 10 30 DCEERO CCO[C@@H]1C[C@H](NC(N[C@H]2CCC(=O)NC2)=[NH+]C)C12CCC2 ZINC000262340880 527906269 /nfs/dbraw/zinc/90/62/69/527906269.db2.gz COWJMHXJIFTWNG-RWMBFGLXSA-N 1 0 308.426 0.778 10 30 DCEERO CC[NH+]=C(NC1CCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261708087 528802502 /nfs/dbraw/zinc/80/25/02/528802502.db2.gz GYIABDKLXOZQOH-INIZCTEOSA-N 1 0 321.425 0.815 10 30 DCEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCC(=O)NC1 ZINC000262432181 528819678 /nfs/dbraw/zinc/81/96/78/528819678.db2.gz SPSWOTWVZANIHJ-WVWOOGAGSA-N 1 0 308.426 0.634 10 30 DCEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCC(=O)NC1 ZINC000262432184 528821238 /nfs/dbraw/zinc/82/12/38/528821238.db2.gz SPSWOTWVZANIHJ-ZMJPVWNMSA-N 1 0 308.426 0.634 10 30 DCEERO Cn1cc([C@@H]2CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000329499181 546049790 /nfs/dbraw/zinc/04/97/90/546049790.db2.gz XZWPHUYMNAZNQC-CABCVRRESA-N 1 0 320.441 0.717 10 30 DCEERO CN(C)c1ncccc1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000170912984 659398310 /nfs/dbraw/zinc/39/83/10/659398310.db2.gz FRKPIYJLQDWTMG-UHFFFAOYSA-N 1 0 320.441 0.274 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000314086560 659532092 /nfs/dbraw/zinc/53/20/92/659532092.db2.gz GJEROIIQUKRNCC-UHFFFAOYSA-N 1 0 310.442 0.342 10 30 DCEERO C[NH+]=C(NC[C@H](C)N1CCOCC1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261849283 661749956 /nfs/dbraw/zinc/74/99/56/661749956.db2.gz SPRUUYGGRGXRRV-BFHYXJOUSA-N 1 0 312.458 0.686 10 30 DCEERO C=CCOC[C@H]1NC(=O)N(C[C@H]2CCC[N@H+]2CCOC)C1=O ZINC000348402043 663781646 /nfs/dbraw/zinc/78/16/46/663781646.db2.gz YULHRFZLFGSBHK-CHWSQXEVSA-N 1 0 311.382 0.220 10 30 DCEERO C#Cc1cccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000737254546 667141110 /nfs/dbraw/zinc/14/11/10/667141110.db2.gz OKONUADMIJSRDY-UHFFFAOYSA-N 1 0 308.341 0.652 10 30 DCEERO C[NH+]=C(NC[C@H]1CN(C)CCO1)N1CCSC(C)(C)C1 ZINC000125794682 668424406 /nfs/dbraw/zinc/42/44/06/668424406.db2.gz WGXREFPFYSWVGJ-LBPRGKRZSA-N 1 0 300.472 0.720 10 30 DCEERO CN(Cc1ccc[nH]1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262454915 529991996 /nfs/dbraw/zinc/99/19/96/529991996.db2.gz WPXMNIGESGSLBX-LBPRGKRZSA-N 1 0 324.450 0.989 10 30 DCEERO C[NH+]=C(NCC(=O)N[C@@H]1CCOc2ccccc21)NC1CC1 ZINC000261865470 530039289 /nfs/dbraw/zinc/03/92/89/530039289.db2.gz RSTRENXRYCGGJW-CYBMUJFWSA-N 1 0 302.378 0.954 10 30 DCEERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000175977363 198532424 /nfs/dbraw/zinc/53/24/24/198532424.db2.gz USNRZQXOGKZSCM-GFCCVEGCSA-N 1 0 304.325 0.798 10 30 DCEERO C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)C[C@@H]1N1CCOCC1 ZINC000179359673 237246418 /nfs/dbraw/zinc/24/64/18/237246418.db2.gz DFUFHJOGEYFIQL-CABCVRRESA-N 1 0 308.426 0.401 10 30 DCEERO [NH2+]=C(NCCC1CCS(=O)(=O)CC1)N1CCSCC1 ZINC000261859458 238167147 /nfs/dbraw/zinc/16/71/47/238167147.db2.gz AJONPTFJMGMDDC-UHFFFAOYSA-N 1 0 305.469 0.565 10 30 DCEERO CN(C)C(=O)CNC(N[C@H]1CCC(=O)NC1)=[NH+]C1CCCCC1 ZINC000262271485 238171704 /nfs/dbraw/zinc/17/17/04/238171704.db2.gz GVZWFJFBGZYLGQ-ZDUSSCGKSA-N 1 0 323.441 0.221 10 30 DCEERO CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCO1)N1CC[C@H](C2CC2)C1 ZINC000262342337 238172472 /nfs/dbraw/zinc/17/24/72/238172472.db2.gz XIMFROOXTNGGEN-GJZGRUSLSA-N 1 0 322.453 0.931 10 30 DCEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2COCCO2)c1 ZINC000163073128 291245913 /nfs/dbraw/zinc/24/59/13/291245913.db2.gz HQUFJFCNLYRGGK-ZDUSSCGKSA-N 1 0 310.375 0.337 10 30 DCEERO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)C[C@H]2[NH3+])cn1 ZINC000333644903 238692931 /nfs/dbraw/zinc/69/29/31/238692931.db2.gz XXUDVWQKAAEBHM-CYUUQNCZSA-N 1 0 316.409 0.939 10 30 DCEERO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)C[C@H]1C(=O)N1CCOCC1 ZINC000408473775 239269763 /nfs/dbraw/zinc/26/97/63/239269763.db2.gz ICZVTBKOGBHQOL-QLFBSQMISA-N 1 0 304.394 0.857 10 30 DCEERO C[C@H](C(=O)N1CCN(C(=O)CC#N)CC1)[NH+]1CCCCCC1 ZINC000408066142 239261496 /nfs/dbraw/zinc/26/14/96/239261496.db2.gz VEWXBJJBQVAERI-CQSZACIVSA-N 1 0 306.410 0.835 10 30 DCEERO C[C@H](C#N)CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000182841493 396255291 /nfs/dbraw/zinc/25/52/91/396255291.db2.gz PPSBRGWGHABEBP-CABCVRRESA-N 1 0 307.442 0.958 10 30 DCEERO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccnc(C#N)c2)CC1 ZINC000193250343 396447028 /nfs/dbraw/zinc/44/70/28/396447028.db2.gz WRBAJPJLXZEQAZ-ZDUSSCGKSA-N 1 0 301.394 0.709 10 30 DCEERO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371823844 396477958 /nfs/dbraw/zinc/47/79/58/396477958.db2.gz SNRDTNPCRMIILS-CYBMUJFWSA-N 1 0 320.418 0.965 10 30 DCEERO CC[NH+](CC)CCNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000585681756 396648261 /nfs/dbraw/zinc/64/82/61/396648261.db2.gz ODLDSLOWUCSTCM-UHFFFAOYSA-N 1 0 320.368 0.772 10 30 DCEERO C=CC[C@]1(C(=O)N2CCCN(CC(=O)OCC)CC2)CCC[NH2+]1 ZINC000595950165 396692707 /nfs/dbraw/zinc/69/27/07/396692707.db2.gz BAFWGYUERUIDHB-QGZVFWFLSA-N 1 0 323.437 0.782 10 30 DCEERO C=CC[C@@]1(C(=O)N2CCN(CCC(=O)OC)[C@H](C)C2)CCC[NH2+]1 ZINC000595956049 396695676 /nfs/dbraw/zinc/69/56/76/396695676.db2.gz JBRQQKJORCPYTG-PBHICJAKSA-N 1 0 323.437 0.781 10 30 DCEERO N#Cc1cccc(OCC[N@H+]2CC[C@@](O)(Cn3ccnn3)C2)c1 ZINC000585803687 396659113 /nfs/dbraw/zinc/65/91/13/396659113.db2.gz WNBODCAXZFUMOF-INIZCTEOSA-N 1 0 313.361 0.666 10 30 DCEERO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1=O ZINC000329247136 396841807 /nfs/dbraw/zinc/84/18/07/396841807.db2.gz BBBVADWUOGDZKK-QKGCVVFFSA-N 1 0 320.437 0.936 10 30 DCEERO C=CCOCCCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000611824033 396934831 /nfs/dbraw/zinc/93/48/31/396934831.db2.gz YIAGIMPFOPUYAR-HNNXBMFYSA-N 1 0 323.437 0.828 10 30 DCEERO C=CCN(C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625746916 396996858 /nfs/dbraw/zinc/99/68/58/396996858.db2.gz KSJGIGZMMBCXKO-UHFFFAOYSA-N 1 0 309.410 0.344 10 30 DCEERO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000591693418 396978350 /nfs/dbraw/zinc/97/83/50/396978350.db2.gz KLVJTXDIJDRLOF-YUELXQCFSA-N 1 0 302.378 0.912 10 30 DCEERO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)n1cnc(C#N)n1 ZINC000619614467 397159331 /nfs/dbraw/zinc/15/93/31/397159331.db2.gz DBOVHMSNYGKCTH-UPJWGTAASA-N 1 0 302.382 0.653 10 30 DCEERO C[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)n1cnc(C#N)n1 ZINC000619613869 397159416 /nfs/dbraw/zinc/15/94/16/397159416.db2.gz KWLDNLFOCPHXGR-TZMCWYRMSA-N 1 0 316.409 0.901 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620474583 397276621 /nfs/dbraw/zinc/27/66/21/397276621.db2.gz HHPUNLRFFFYASG-JKSUJKDBSA-N 1 0 323.437 0.515 10 30 DCEERO CC(=O)N1CCN(CC[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602004350 397283290 /nfs/dbraw/zinc/28/32/90/397283290.db2.gz LQCMGYPEMRKLIG-UHFFFAOYSA-N 1 0 304.369 0.951 10 30 DCEERO Cn1cc(C[N@@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)cc1C#N ZINC000408037470 160018466 /nfs/dbraw/zinc/01/84/66/160018466.db2.gz DYJQIGFJQHVSQS-KRWDZBQOSA-N 1 0 316.405 0.846 10 30 DCEERO Cn1cc(C[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)cc1C#N ZINC000408037471 160018661 /nfs/dbraw/zinc/01/86/61/160018661.db2.gz DYJQIGFJQHVSQS-QGZVFWFLSA-N 1 0 316.405 0.846 10 30 DCEERO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000352623615 415251468 /nfs/dbraw/zinc/25/14/68/415251468.db2.gz PBYCVUBUMHQTRS-MRXNPFEDSA-N 1 0 309.454 0.847 10 30 DCEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000076734846 415458359 /nfs/dbraw/zinc/45/83/59/415458359.db2.gz RXVKWLGOJJJBAT-JTQLQIEISA-N 1 0 308.382 0.135 10 30 DCEERO C=CCNC(=O)CN1CCN(c2nccc(OCC)n2)CC1 ZINC000105868358 415637117 /nfs/dbraw/zinc/63/71/17/415637117.db2.gz NCAJZDFGNVPZQO-UHFFFAOYSA-N 1 0 305.382 0.300 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCOCC3(CC3)C2)CC1 ZINC000343776564 415724864 /nfs/dbraw/zinc/72/48/64/415724864.db2.gz ZSRTZRKKCJBRIW-UHFFFAOYSA-N 1 0 321.421 0.392 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N(C[C@@H](C)O)C(C)C)CC1 ZINC000343740729 415706326 /nfs/dbraw/zinc/70/63/26/415706326.db2.gz OVINMLMWIOBWRZ-CYBMUJFWSA-N 1 0 311.426 0.371 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000354417625 415798881 /nfs/dbraw/zinc/79/88/81/415798881.db2.gz BKTVQRTWBCFJER-UONOGXRCSA-N 1 0 314.451 0.942 10 30 DCEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329527263 416174022 /nfs/dbraw/zinc/17/40/22/416174022.db2.gz UELMIQDSEFONJS-ZOBORPQBSA-N 1 0 320.397 0.301 10 30 DCEERO CC1=CC[N@H+](CCNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000358348836 416225781 /nfs/dbraw/zinc/22/57/81/416225781.db2.gz JTMWPKLRERATKC-UHFFFAOYSA-N 1 0 303.366 0.020 10 30 DCEERO N#CCc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000189795076 416271303 /nfs/dbraw/zinc/27/13/03/416271303.db2.gz VCIGCXYGBWLBSO-UHFFFAOYSA-N 1 0 312.373 0.998 10 30 DCEERO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCN1CCO ZINC000190036328 416274490 /nfs/dbraw/zinc/27/44/90/416274490.db2.gz JTQCESRVMPPXJH-LBPRGKRZSA-N 1 0 316.361 0.022 10 30 DCEERO C=CCN1CCC(NS(=O)(=O)CC[NH+](CC)CC)CC1 ZINC000352276062 416315313 /nfs/dbraw/zinc/31/53/13/416315313.db2.gz RGTYAMHNZAPSNP-UHFFFAOYSA-N 1 0 303.472 0.898 10 30 DCEERO CC[C@@H]1CN(CC(=O)N(CC)C[C@@H](C)C#N)CC[N@@H+]1C[C@H](C)O ZINC000247397148 416332742 /nfs/dbraw/zinc/33/27/42/416332742.db2.gz XWWSEAXHRBYPLP-HRCADAONSA-N 1 0 324.469 0.772 10 30 DCEERO C#CCNC(=O)[C@@H](C)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195285992 416325895 /nfs/dbraw/zinc/32/58/95/416325895.db2.gz JHRALWATGUCYNM-NVXWUHKLSA-N 1 0 314.433 0.973 10 30 DCEERO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418825220 416391038 /nfs/dbraw/zinc/39/10/38/416391038.db2.gz JKACQAFVDKMVOP-MQYQWHSLSA-N 1 0 309.410 0.198 10 30 DCEERO C=CC[C@]1(C(=O)Nc2ccn(C(C)(C)C(=O)OC)n2)CCC[NH2+]1 ZINC000595974035 416574053 /nfs/dbraw/zinc/57/40/53/416574053.db2.gz UGDPYPCCXYHUIE-MRXNPFEDSA-N 1 0 320.393 1.428 10 30 DCEERO C=CCn1cc(CNC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)nn1 ZINC000516647131 416732284 /nfs/dbraw/zinc/73/22/84/416732284.db2.gz JNKZPLQDIQHMAW-QWHCGFSZSA-N 1 0 322.413 0.061 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632481855 417119386 /nfs/dbraw/zinc/11/93/86/417119386.db2.gz JLBKKNUWPBMGBF-KBPBESRZSA-N 1 0 302.440 0.983 10 30 DCEERO C=CC(C)(C)CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000627402262 417395660 /nfs/dbraw/zinc/39/56/60/417395660.db2.gz ZGXBZFPRNZFGDY-UHFFFAOYSA-N 1 0 310.442 0.116 10 30 DCEERO C=CCCC1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCCC1 ZINC000627475943 417431780 /nfs/dbraw/zinc/43/17/80/417431780.db2.gz XMDIALKUYOISCX-AWEZNQCLSA-N 1 0 323.437 0.734 10 30 DCEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627490207 417440764 /nfs/dbraw/zinc/44/07/64/417440764.db2.gz WZXBDIPBSXWIFP-ZIAGYGMSSA-N 1 0 311.426 0.719 10 30 DCEERO C=C(C)CN1CCC([NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000634703158 417526106 /nfs/dbraw/zinc/52/61/06/417526106.db2.gz QXYHDBOXDRYQLE-MRXNPFEDSA-N 1 0 312.454 0.909 10 30 DCEERO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000194804798 261148884 /nfs/dbraw/zinc/14/88/84/261148884.db2.gz XESRSSANJITWMW-HNNXBMFYSA-N 1 0 314.389 0.585 10 30 DCEERO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CNC(=O)C1 ZINC000194883904 261149419 /nfs/dbraw/zinc/14/94/19/261149419.db2.gz VBYXSPIEZFKHDJ-HNNXBMFYSA-N 1 0 314.389 0.585 10 30 DCEERO CC[NH+]=C(NCCN(C)C1CC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261795126 276095460 /nfs/dbraw/zinc/09/54/60/276095460.db2.gz QVOLXNLPATVOPA-QGZVFWFLSA-N 1 0 321.469 0.648 10 30 DCEERO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000105797673 335788103 /nfs/dbraw/zinc/78/81/03/335788103.db2.gz WSLPUNFPNJHGAM-STQMWFEESA-N 1 0 318.425 0.767 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000425869196 338018028 /nfs/dbraw/zinc/01/80/28/338018028.db2.gz JKZDBLCPRBBTLF-XGUBFFRZSA-N 1 0 321.421 0.437 10 30 DCEERO C=CC[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000577634577 341926074 /nfs/dbraw/zinc/92/60/74/341926074.db2.gz WBUWMPAPBIADCZ-NSHDSACASA-N 1 0 314.363 0.895 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCc2nccn2CC(F)(F)F)CCO1 ZINC000262457125 534271658 /nfs/dbraw/zinc/27/16/58/534271658.db2.gz LKFLQRROIHHQOU-SECBINFHSA-N 1 0 305.304 0.981 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCCS(=O)(=O)c2ccccc2)CCO1 ZINC000262304729 534271174 /nfs/dbraw/zinc/27/11/74/534271174.db2.gz ADCCOUVSYBCHOJ-GFCCVEGCSA-N 1 0 311.407 0.496 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000425875858 534586375 /nfs/dbraw/zinc/58/63/75/534586375.db2.gz UKMVWRSDGCRHPU-GJZGRUSLSA-N 1 0 323.437 0.542 10 30 DCEERO C[NH+]=C(NC1CCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261803036 526344268 /nfs/dbraw/zinc/34/42/68/526344268.db2.gz RRGYOWSBLYXXIF-HNNXBMFYSA-N 1 0 307.398 0.424 10 30 DCEERO C[NH+]=C(NCC1(O)CCC1)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000262800483 526351732 /nfs/dbraw/zinc/35/17/32/526351732.db2.gz RABJSTIBUCEIIB-LBPRGKRZSA-N 1 0 320.441 0.796 10 30 DCEERO C[NH+]=C(NCCc1ccco1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261737448 526364291 /nfs/dbraw/zinc/36/42/91/526364291.db2.gz KGQKBFCKXUCSQK-INIZCTEOSA-N 1 0 304.394 1.000 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCCN1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261979560 526370053 /nfs/dbraw/zinc/37/00/53/526370053.db2.gz OMJKBGSYTKEECP-LBPRGKRZSA-N 1 0 316.471 0.165 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCOC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000262043007 526371697 /nfs/dbraw/zinc/37/16/97/526371697.db2.gz YMYCOWJXIYAFDC-ZDUSSCGKSA-N 1 0 310.442 0.930 10 30 DCEERO C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000262777339 526376312 /nfs/dbraw/zinc/37/63/12/526376312.db2.gz JVPDJSBTJWLQBO-HNNXBMFYSA-N 1 0 322.453 0.810 10 30 DCEERO C[NH+]=C(NC[C@]1(C)CCOC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261730960 526378078 /nfs/dbraw/zinc/37/80/78/526378078.db2.gz JMUACGRBYZQVNM-HOTGVXAUSA-N 1 0 308.426 0.591 10 30 DCEERO C[NH+]=C(NCc1cn(CC(=O)OC)nn1)N1CCC(C)CC1 ZINC000154621663 526387983 /nfs/dbraw/zinc/38/79/83/526387983.db2.gz SQSNQYQRCGKQBM-UHFFFAOYSA-N 1 0 308.386 0.258 10 30 DCEERO C[NH+]=C(NCc1nccn1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261952939 526391055 /nfs/dbraw/zinc/39/10/55/526391055.db2.gz OEBOCECHWMDLPE-UHFFFAOYSA-N 1 0 320.441 0.827 10 30 DCEERO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1=O ZINC000282136155 526484803 /nfs/dbraw/zinc/48/48/03/526484803.db2.gz ZDKBQMFNJQIYPL-SMDDNHRTSA-N 1 0 323.418 0.772 10 30 DCEERO C=CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1=O ZINC000282136147 526512550 /nfs/dbraw/zinc/51/25/50/526512550.db2.gz ZDKBQMFNJQIYPL-FZMZJTMJSA-N 1 0 323.418 0.772 10 30 DCEERO C=CCNC(=O)CN1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000261970223 526535015 /nfs/dbraw/zinc/53/50/15/526535015.db2.gz YXKFMAXMRXJONF-OAHLLOKOSA-N 1 0 322.453 0.211 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000156559779 526606700 /nfs/dbraw/zinc/60/67/00/526606700.db2.gz WGCPUBAOSXFHAF-NSHDSACASA-N 1 0 306.370 0.315 10 30 DCEERO C=CC[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCC2(C1)OCCO2 ZINC000262288617 526956534 /nfs/dbraw/zinc/95/65/34/526956534.db2.gz KSQXFOUUMRWEJM-GFCCVEGCSA-N 1 0 310.398 0.091 10 30 DCEERO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374621982 527020597 /nfs/dbraw/zinc/02/05/97/527020597.db2.gz RQLYNMOCPKEVTQ-ZIAGYGMSSA-N 1 0 317.389 0.859 10 30 DCEERO C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000187933212 527130922 /nfs/dbraw/zinc/13/09/22/527130922.db2.gz OZFYOXIKFWUKCY-CYBMUJFWSA-N 1 0 315.373 0.800 10 30 DCEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC(CO)C1)C(C)C ZINC000284113721 527645710 /nfs/dbraw/zinc/64/57/10/527645710.db2.gz QJGFKZQTRUFACX-HNNXBMFYSA-N 1 0 323.437 0.252 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCN(C(=O)CC)C1 ZINC000261976599 528809286 /nfs/dbraw/zinc/80/92/86/528809286.db2.gz NTXIAPYQBJLMCZ-MJBXVCDLSA-N 1 0 310.442 0.713 10 30 DCEERO CCC(O)(CC)CNC(=[NH+]C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261817959 528966275 /nfs/dbraw/zinc/96/62/75/528966275.db2.gz UDQDPBXFBFTCPH-OAHLLOKOSA-N 1 0 310.442 0.715 10 30 DCEERO C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)NC(=O)OC(C)(C)C ZINC000195165710 659536482 /nfs/dbraw/zinc/53/64/82/659536482.db2.gz FEMSBONZCBKXRN-QWRGUYRKSA-N 1 0 300.403 0.983 10 30 DCEERO C#CCSCCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000129994087 669577914 /nfs/dbraw/zinc/57/79/14/669577914.db2.gz IZMSXFYWPMAGNT-UHFFFAOYSA-N 1 0 318.446 0.930 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CC[C@]2(CCOC2)C1 ZINC000158006998 669923728 /nfs/dbraw/zinc/92/37/28/669923728.db2.gz SIKIMWHJHDRSAU-ZBFHGGJFSA-N 1 0 310.442 0.395 10 30 DCEERO CN1CCO[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262565253 529782435 /nfs/dbraw/zinc/78/24/35/529782435.db2.gz XSDOTIMRFMQLAF-GXTWGEPZSA-N 1 0 304.394 0.745 10 30 DCEERO COC[C@H](C)NC(=[NH2+])NCc1nn(C)cc1Br ZINC000263172548 238185775 /nfs/dbraw/zinc/18/57/75/238185775.db2.gz SFPLVCURXQZVGP-ZETCQYMHSA-N 1 0 304.192 0.622 10 30 DCEERO CO[C@@H]1COC[C@H]1n1cc(CNC(=[NH2+])NC2CCCC2)nn1 ZINC000262378931 533524347 /nfs/dbraw/zinc/52/43/47/533524347.db2.gz NXSIOUPVFVAAFF-CHWSQXEVSA-N 1 0 308.386 0.211 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000282341053 396281912 /nfs/dbraw/zinc/28/19/12/396281912.db2.gz ZPVGDVMMSAZPSJ-CYBMUJFWSA-N 1 0 308.426 0.899 10 30 DCEERO C=CC[C@H](CO)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000185739428 396334074 /nfs/dbraw/zinc/33/40/74/396334074.db2.gz CRKOZNAZDZARIM-CQSZACIVSA-N 1 0 304.394 0.500 10 30 DCEERO C=CCOCCCNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000611955102 396958653 /nfs/dbraw/zinc/95/86/53/396958653.db2.gz GHSKOOMBAVIQLR-CQSZACIVSA-N 1 0 311.426 0.543 10 30 DCEERO C=CCOCCCNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000611988645 396973873 /nfs/dbraw/zinc/97/38/73/396973873.db2.gz JDNMVPGSXSTAMI-UHFFFAOYSA-N 1 0 311.426 0.684 10 30 DCEERO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000591678956 396975450 /nfs/dbraw/zinc/97/54/50/396975450.db2.gz LDDXAADTZZZFRJ-MCIONIFRSA-N 1 0 302.378 0.614 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000613602306 397286504 /nfs/dbraw/zinc/28/65/04/397286504.db2.gz IBWWNLIOADMZRV-HOCLYGCPSA-N 1 0 324.469 0.600 10 30 DCEERO C=C(C)C[C@@H](NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C(=O)OC ZINC000602600549 397446435 /nfs/dbraw/zinc/44/64/35/397446435.db2.gz OMWGMRYIJHOVOP-VXGBXAGGSA-N 1 0 321.381 0.268 10 30 DCEERO C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000514891237 412279547 /nfs/dbraw/zinc/27/95/47/412279547.db2.gz QTPNJJPEAROLKL-NSHDSACASA-N 1 0 315.333 0.259 10 30 DCEERO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000131524330 415930023 /nfs/dbraw/zinc/93/00/23/415930023.db2.gz JQAMWRCMOFXAMR-AWEZNQCLSA-N 1 0 305.382 0.346 10 30 DCEERO C=CCSCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000355295311 415860492 /nfs/dbraw/zinc/86/04/92/415860492.db2.gz YJVRUZMUDPYQGS-CYBMUJFWSA-N 1 0 311.451 0.717 10 30 DCEERO COCC[N@H+](C)CCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000176440222 416125165 /nfs/dbraw/zinc/12/51/65/416125165.db2.gz OTZNFXFBEFYJDX-UHFFFAOYSA-N 1 0 320.393 0.814 10 30 DCEERO COc1cnc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)nc1 ZINC000328881856 416136725 /nfs/dbraw/zinc/13/67/25/416136725.db2.gz LKKPKCAPAFNXIQ-LBPRGKRZSA-N 1 0 321.381 0.685 10 30 DCEERO CCc1nc(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cs1 ZINC000329421476 416169868 /nfs/dbraw/zinc/16/98/68/416169868.db2.gz FKKUAHIXXBMWRN-GFCCVEGCSA-N 1 0 311.455 0.955 10 30 DCEERO C=CCNC(=O)c1ccc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)nc1 ZINC000418996517 416395590 /nfs/dbraw/zinc/39/55/90/416395590.db2.gz FIAFARQTFZNOEI-KGLIPLIRSA-N 1 0 318.421 0.889 10 30 DCEERO C=C(C)C[NH+]1CCC(Nc2ccc(C(=O)NCCO)nn2)CC1 ZINC000488362899 416557694 /nfs/dbraw/zinc/55/76/94/416557694.db2.gz DHIHGTYIMAQUGG-UHFFFAOYSA-N 1 0 319.409 0.651 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000424541006 416661905 /nfs/dbraw/zinc/66/19/05/416661905.db2.gz GTEBNUSYTSVUID-RQJABVFESA-N 1 0 309.410 0.422 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000425907493 416735358 /nfs/dbraw/zinc/73/53/58/416735358.db2.gz CGTHDOZPQNYXIJ-GJZGRUSLSA-N 1 0 323.437 0.636 10 30 DCEERO C=CCN(CC=C)C(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000570577040 417369996 /nfs/dbraw/zinc/36/99/96/417369996.db2.gz VEQRMUZLVJOOKP-UHFFFAOYSA-N 1 0 309.410 0.414 10 30 DCEERO C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627490206 417440316 /nfs/dbraw/zinc/44/03/16/417440316.db2.gz WZXBDIPBSXWIFP-UONOGXRCSA-N 1 0 311.426 0.719 10 30 DCEERO Cn1c(C#N)ccc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000450238870 268112708 /nfs/dbraw/zinc/11/27/08/268112708.db2.gz COJIQJJGYVFUGF-CQSZACIVSA-N 1 0 304.394 0.863 10 30 DCEERO C[NH+]=C(NCC(=O)NC(C)(C)C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261859485 277749184 /nfs/dbraw/zinc/74/91/84/277749184.db2.gz ZBZODBVRCRUQEE-MRXNPFEDSA-N 1 0 323.441 0.079 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCCC[C@H]1C(=O)OC ZINC000451585421 277868246 /nfs/dbraw/zinc/86/82/46/277868246.db2.gz BIKMRBUCTSSWAR-UTUOFQBUSA-N 1 0 311.382 0.708 10 30 DCEERO CO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)[C@H](C[NH3+])C1 ZINC000262415525 293758326 /nfs/dbraw/zinc/75/83/26/293758326.db2.gz DMXZURRQSFWTPH-UONOGXRCSA-N 1 0 323.418 0.994 10 30 DCEERO C=CC[C@H](CO)C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000519539330 335875076 /nfs/dbraw/zinc/87/50/76/335875076.db2.gz DOVMCQGHLNWNRC-QWHCGFSZSA-N 1 0 309.362 0.929 10 30 DCEERO CC(C)[C@@H](CNC(=O)N[C@@H]1CCO[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000330124419 336115701 /nfs/dbraw/zinc/11/57/01/336115701.db2.gz BDFTZFZAZDQFLW-RBSFLKMASA-N 1 0 312.458 0.939 10 30 DCEERO CO[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1OC ZINC000330175628 336120663 /nfs/dbraw/zinc/12/06/63/336120663.db2.gz JHMBDGHVLIGFHY-HUUCEWRRSA-N 1 0 311.426 0.915 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC[NH+](CC)CC ZINC000425910083 338018822 /nfs/dbraw/zinc/01/88/22/338018822.db2.gz STTGYEDSUNTHAT-KBPBESRZSA-N 1 0 311.426 0.542 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000425909995 338018893 /nfs/dbraw/zinc/01/88/93/338018893.db2.gz SDTRVMHPPPHOCF-ILXRZTDVSA-N 1 0 323.437 0.494 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N(CC)Cc2cn(C)nn2)CC1 ZINC000540994994 340954979 /nfs/dbraw/zinc/95/49/79/340954979.db2.gz FFRCZHVXICMOSH-UHFFFAOYSA-N 1 0 306.414 0.997 10 30 DCEERO NC(=O)c1cnn2c1C[C@H](CNC(=[NH2+])NC1CCCCC1)CC2 ZINC000261935091 534513463 /nfs/dbraw/zinc/51/34/63/534513463.db2.gz LVQMPEBQBQQINZ-LLVKDONJSA-N 1 0 318.425 0.781 10 30 DCEERO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000160846894 525076174 /nfs/dbraw/zinc/07/61/74/525076174.db2.gz INIUJLWEWYEKOZ-OCCSQVGLSA-N 1 0 314.393 0.480 10 30 DCEERO [NH2+]=C(NCCc1cccs1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000262678662 534833692 /nfs/dbraw/zinc/83/36/92/534833692.db2.gz UZAHTOWDTZHTJY-SNVBAGLBSA-N 1 0 317.436 0.009 10 30 DCEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262589438 526395094 /nfs/dbraw/zinc/39/50/94/526395094.db2.gz UJWIJFQGUDGCSV-QWHCGFSZSA-N 1 0 308.426 0.684 10 30 DCEERO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)[NH2+]C)cc2C1=O ZINC000261798965 526409284 /nfs/dbraw/zinc/40/92/84/526409284.db2.gz RPNSTSZXLLMWST-SNVBAGLBSA-N 1 0 301.346 0.806 10 30 DCEERO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O ZINC000369206781 526479295 /nfs/dbraw/zinc/47/92/95/526479295.db2.gz WNECTEVYAVAZCZ-LSDHHAIUSA-N 1 0 321.421 0.344 10 30 DCEERO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000280913942 526519781 /nfs/dbraw/zinc/51/97/81/526519781.db2.gz FVIRLKPGJLOUOT-UHFFFAOYSA-N 1 0 307.398 0.702 10 30 DCEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245421594 526631707 /nfs/dbraw/zinc/63/17/07/526631707.db2.gz IARADPIFXHUMRB-JKSUJKDBSA-N 1 0 308.470 0.779 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)CC1 ZINC000173972648 526922160 /nfs/dbraw/zinc/92/21/60/526922160.db2.gz JBKJYPKTBKNMBR-NVXWUHKLSA-N 1 0 319.449 0.511 10 30 DCEERO C#CCNC(=O)CC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000268852569 526987105 /nfs/dbraw/zinc/98/71/05/526987105.db2.gz YEFJBEPTBLAQEE-GFCCVEGCSA-N 1 0 308.403 0.880 10 30 DCEERO C=CC[C@@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364945225 527092659 /nfs/dbraw/zinc/09/26/59/527092659.db2.gz PVYCGXBXIOWETM-KGLIPLIRSA-N 1 0 310.442 0.391 10 30 DCEERO C=CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000261886385 527544918 /nfs/dbraw/zinc/54/49/18/527544918.db2.gz ZUVIRZWBNMKRBF-JHJVBQTASA-N 1 0 300.424 0.563 10 30 DCEERO C=CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000261886384 527545046 /nfs/dbraw/zinc/54/50/46/527545046.db2.gz ZUVIRZWBNMKRBF-FRRDWIJNSA-N 1 0 300.424 0.563 10 30 DCEERO C=CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000408221348 527547019 /nfs/dbraw/zinc/54/70/19/527547019.db2.gz GOCDIOMQRKCLNB-IHRRRGAJSA-N 1 0 314.451 0.918 10 30 DCEERO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000363624832 528709028 /nfs/dbraw/zinc/70/90/28/528709028.db2.gz NAUFAXPZKXGKMG-OLZOCXBDSA-N 1 0 300.428 0.493 10 30 DCEERO CC[NH+]=C(NC1CCC1)N[C@H]1CCc2nc(COC)nn2C1 ZINC000261975348 528801526 /nfs/dbraw/zinc/80/15/26/528801526.db2.gz NOLNINWLCWQGSI-LBPRGKRZSA-N 1 0 306.414 0.847 10 30 DCEERO CC[NH+]=C(NCCn1ccnc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262449134 528807803 /nfs/dbraw/zinc/80/78/03/528807803.db2.gz JLKTWZDTSZZOKY-OAHLLOKOSA-N 1 0 320.441 0.255 10 30 DCEERO CC[NH+]=C(NC[C@H](O)C(F)(F)F)N1CC[C@]2(CCOC2)C1 ZINC000262015360 528814303 /nfs/dbraw/zinc/81/43/03/528814303.db2.gz XPJINXSYQKHYHP-JQWIXIFHSA-N 1 0 309.332 0.988 10 30 DCEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261761091 528820458 /nfs/dbraw/zinc/82/04/58/528820458.db2.gz MXNWEALZOZXXCU-KANYHAFZSA-N 1 0 321.425 0.670 10 30 DCEERO CC[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1CN(C)CCO1 ZINC000156045294 528828560 /nfs/dbraw/zinc/82/85/60/528828560.db2.gz JSPQFAVSIDWZLE-CYBMUJFWSA-N 1 0 309.414 0.677 10 30 DCEERO CN(CC(=O)N1CC[NH2+]CC1)c1c(C#N)cnc2ccccc21 ZINC000261793170 661687207 /nfs/dbraw/zinc/68/72/07/661687207.db2.gz TZRIUYWFVSMYEP-UHFFFAOYSA-N 1 0 309.373 0.974 10 30 DCEERO C[NH+]=C(NCCN(C)C(C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262002672 661953291 /nfs/dbraw/zinc/95/32/91/661953291.db2.gz UUIDGCQPULAKMX-UHFFFAOYSA-N 1 0 318.487 0.411 10 30 DCEERO C[NH+]=C(NCC(=O)N(C)C)NCc1ccn(C2CCCC2)n1 ZINC000262354039 662345376 /nfs/dbraw/zinc/34/53/76/662345376.db2.gz ZJKIKBAXSVZSLN-UHFFFAOYSA-N 1 0 306.414 0.751 10 30 DCEERO CC(C)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 ZINC000731904570 664889914 /nfs/dbraw/zinc/88/99/14/664889914.db2.gz LGRBEWUAIKCJBG-UHFFFAOYSA-N 1 0 308.407 0.736 10 30 DCEERO N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1C1CC1 ZINC000732677128 664951857 /nfs/dbraw/zinc/95/18/57/664951857.db2.gz JCIDONJLQTWTQV-PMPSAXMXSA-N 1 0 317.437 0.995 10 30 DCEERO COc1ccccc1CNC(=[NH2+])NC[C@@]1(CCO)CCOC1 ZINC000126133201 668500722 /nfs/dbraw/zinc/50/07/22/668500722.db2.gz VRNUOPQFSRZMBC-MRXNPFEDSA-N 1 0 307.394 0.889 10 30 DCEERO C[NH+]=C(NCCn1cc(C)cn1)N[C@H]1CCc2nc(C)nn2C1 ZINC000131646516 669676545 /nfs/dbraw/zinc/67/65/45/669676545.db2.gz KVGKOEZZIZHZEF-ZDUSSCGKSA-N 1 0 316.413 0.271 10 30 DCEERO C[C@@H]1CN(C(=O)c2ccccc2OCC#N)CCN1CCO ZINC000188701870 670038310 /nfs/dbraw/zinc/03/83/10/670038310.db2.gz ALJYNOVTSDJSRD-CYBMUJFWSA-N 1 0 303.362 0.728 10 30 DCEERO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=[NH2+])NCCc2cccs2)O1 ZINC000305765963 685217768 /nfs/dbraw/zinc/21/77/68/685217768.db2.gz HHQBXAAEAPUAHB-YPMHNXCESA-N 1 0 324.450 0.831 10 30 DCEERO O=C(C[N+]12CCN(CC1)CC2)NCc1ccc2c(c1)OCO2 ZINC000021958053 717113089 /nfs/dbraw/zinc/11/30/89/717113089.db2.gz IBZKWZVVCMSTSA-UHFFFAOYSA-O 1 0 304.370 0.178 10 30 DCEERO COc1cccc(CNC(=O)[C@@H](C)[N+]23CCN(CC2)CC3)c1 ZINC000029226869 717117698 /nfs/dbraw/zinc/11/76/98/717117698.db2.gz QAJQGKOWNIJJLL-CQSZACIVSA-O 1 0 304.414 0.846 10 30 DCEERO [NH2+]=C(NCCc1cccs1)NC[C@H]1CCS(=O)(=O)C1 ZINC000261981506 238169813 /nfs/dbraw/zinc/16/98/13/238169813.db2.gz ICWQJKRTVLTJLL-SNVBAGLBSA-N 1 0 301.437 0.630 10 30 DCEERO [NH2+]=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)NC1CC1 ZINC000262582357 238177792 /nfs/dbraw/zinc/17/77/92/238177792.db2.gz RFPKJQUUVLWKEJ-UHFFFAOYSA-N 1 0 321.469 0.778 10 30 DCEERO C[C@H](C(=O)N(C)CCC#N)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000249692647 238163393 /nfs/dbraw/zinc/16/33/93/238163393.db2.gz WHDXHFMEQDSPOI-LSDHHAIUSA-N 1 0 322.453 0.932 10 30 DCEERO C[C@H](CC#N)N(C)S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000407976206 239257621 /nfs/dbraw/zinc/25/76/21/239257621.db2.gz JXXQOACKDIYQAO-JHJVBQTASA-N 1 0 302.444 0.880 10 30 DCEERO COCCCNC(=O)c1oc2c(c1C)C(=NNC(N)=[NH2+])CCC2 ZINC000040824726 183137219 /nfs/dbraw/zinc/13/72/19/183137219.db2.gz MWYWTERMNWZKKH-VXLYETTFSA-N 1 0 321.381 0.878 10 30 DCEERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccccc1C#N ZINC000105932806 194173515 /nfs/dbraw/zinc/17/35/15/194173515.db2.gz HFKZAHYYUVNFHH-OCCSQVGLSA-N 1 0 302.378 0.805 10 30 DCEERO CN1CC[C@H]2OCCN(S(=O)(=O)c3cccnc3C#N)[C@H]2C1 ZINC000284887469 131119059 /nfs/dbraw/zinc/11/90/59/131119059.db2.gz FILLTEPAKGFOBS-QWHCGFSZSA-N 1 0 322.390 0.047 10 30 DCEERO C[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3sccc3C#N)[C@@H]2C1 ZINC000285004349 131129880 /nfs/dbraw/zinc/12/98/80/131129880.db2.gz YRTWVKQBNKHYEW-CHWSQXEVSA-N 1 0 320.418 0.963 10 30 DCEERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1cccc(C#N)c1 ZINC000112548849 395818915 /nfs/dbraw/zinc/81/89/15/395818915.db2.gz FLBMBOBMCCCQGU-WFASDCNBSA-N 1 0 302.378 0.805 10 30 DCEERO N#Cc1cccc(S(=O)(=O)CCN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000131255779 395924804 /nfs/dbraw/zinc/92/48/04/395924804.db2.gz FOZNEAAOCMLOQI-OKILXGFUSA-N 1 0 305.403 0.483 10 30 DCEERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000253357394 396026379 /nfs/dbraw/zinc/02/63/79/396026379.db2.gz ABCVLBMFJJRQFC-VHDGCEQUSA-N 1 0 317.389 0.884 10 30 DCEERO COC[C@](C)(CCO)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000079921015 396272573 /nfs/dbraw/zinc/27/25/73/396272573.db2.gz FSNFENAMYYXQPU-ZBFHGGJFSA-N 1 0 308.378 0.675 10 30 DCEERO N#Cc1ccc(C(=O)NCC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188844320 396387208 /nfs/dbraw/zinc/38/72/08/396387208.db2.gz DOHATFAXDAKRGW-UHFFFAOYSA-N 1 0 312.373 0.595 10 30 DCEERO C[C@@H](CNC(=O)c1ccnc(C#N)c1)C[NH+]1CCN(C)CC1 ZINC000193251597 396446986 /nfs/dbraw/zinc/44/69/86/396446986.db2.gz HREBPQVGRCNLAV-ZDUSSCGKSA-N 1 0 301.394 0.567 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595603934 396637597 /nfs/dbraw/zinc/63/75/97/396637597.db2.gz ACYLZHRXQFDYLJ-NWDGAFQWSA-N 1 0 306.370 0.000 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000611761349 396924662 /nfs/dbraw/zinc/92/46/62/396924662.db2.gz ZKBAVMWCRQBCSR-CYBMUJFWSA-N 1 0 309.410 0.462 10 30 DCEERO C=CC[C@@H]1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000625703516 396982044 /nfs/dbraw/zinc/98/20/44/396982044.db2.gz LMWIGTXGANNHFI-GFCCVEGCSA-N 1 0 317.393 0.332 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000612003481 396978934 /nfs/dbraw/zinc/97/89/34/396978934.db2.gz JBHSQQAPKBOWLT-IHRRRGAJSA-N 1 0 309.410 0.246 10 30 DCEERO C=C(C)C[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)OC ZINC000601501729 397155150 /nfs/dbraw/zinc/15/51/50/397155150.db2.gz PPURVXZEPZVVII-ZDUSSCGKSA-N 1 0 318.439 0.900 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478439 397187259 /nfs/dbraw/zinc/18/72/59/397187259.db2.gz CMTXLEJLTMYGHT-IHRRRGAJSA-N 1 0 308.426 0.851 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CC[C@H](C(=O)OC)[C@H]2CCC[C@H]21 ZINC000599649921 397495755 /nfs/dbraw/zinc/49/57/55/397495755.db2.gz FPRACQFOBJHXQC-FRRDWIJNSA-N 1 0 323.393 0.662 10 30 DCEERO C=CCCSCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599955158 397551956 /nfs/dbraw/zinc/55/19/56/397551956.db2.gz GZGJKNUWVYUAAQ-GFCCVEGCSA-N 1 0 311.451 0.813 10 30 DCEERO C=C(Br)CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248638426 685176148 /nfs/dbraw/zinc/17/61/48/685176148.db2.gz QVEASLCLLPANAD-QWRGUYRKSA-N 1 0 320.231 0.992 10 30 DCEERO C#CCNC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000117467863 415733504 /nfs/dbraw/zinc/73/35/04/415733504.db2.gz SIKGQRCQARSUMN-OAHLLOKOSA-N 1 0 308.426 0.056 10 30 DCEERO C=CCN1CC[C@@H](N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000337197430 415927503 /nfs/dbraw/zinc/92/75/03/415927503.db2.gz XEHKGVUMXQYDBV-DLBZAZTESA-N 1 0 320.481 0.875 10 30 DCEERO [O-]C(NC1CC[NH+](C2CC2)CC1)=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329010474 416145282 /nfs/dbraw/zinc/14/52/82/416145282.db2.gz DKLQNUYBZHLVCL-UONOGXRCSA-N 1 0 320.397 0.348 10 30 DCEERO CN1CCO[C@H]2CCN(C(=O)Nc3ccn(CCC#N)n3)C[C@H]21 ZINC000329040524 416146079 /nfs/dbraw/zinc/14/60/79/416146079.db2.gz SOZZYZDXIHYJLN-OLZOCXBDSA-N 1 0 318.381 0.734 10 30 DCEERO CN(C[C@@H]1CCC[N@H+](C)C1)C([O-])=[NH+][C@H]1COC[C@H]1n1ccnn1 ZINC000329404836 416169000 /nfs/dbraw/zinc/16/90/00/416169000.db2.gz ZBBRNPXSBCFJPY-HZSPNIEDSA-N 1 0 322.413 0.406 10 30 DCEERO C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)C[C@@H]1N1CCOCC1 ZINC000179359688 416186563 /nfs/dbraw/zinc/18/65/63/416186563.db2.gz DFUFHJOGEYFIQL-GJZGRUSLSA-N 1 0 308.426 0.401 10 30 DCEERO C=CCOC[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C(=O)OC ZINC000435949644 416543508 /nfs/dbraw/zinc/54/35/08/416543508.db2.gz MYSRTMBWDBSVLB-LBPRGKRZSA-N 1 0 307.350 0.622 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000612659469 416672015 /nfs/dbraw/zinc/67/20/15/416672015.db2.gz PCBPFLSBPGHUBP-LSDHHAIUSA-N 1 0 311.426 0.420 10 30 DCEERO C=CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000635402204 417650781 /nfs/dbraw/zinc/65/07/81/417650781.db2.gz OARYCSKHVKITGR-CHWSQXEVSA-N 1 0 300.424 0.530 10 30 DCEERO Cn1c(C#N)ccc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000448869528 268112785 /nfs/dbraw/zinc/11/27/85/268112785.db2.gz APTWFTDUIGYOTK-GFCCVEGCSA-N 1 0 317.393 0.214 10 30 DCEERO C[NH+]=C(NC[C@H]1CCCO1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158582527 277752563 /nfs/dbraw/zinc/75/25/63/277752563.db2.gz SZFPFMBPDMKKIH-LLVKDONJSA-N 1 0 303.428 0.250 10 30 DCEERO CC[NH+]=C(NCC(C)(C)OC)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261836171 280836831 /nfs/dbraw/zinc/83/68/31/280836831.db2.gz WBKDTBFSLTVUOE-INIZCTEOSA-N 1 0 310.442 0.979 10 30 DCEERO C[C@H]1CN(C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)CCO1 ZINC000179192724 300236709 /nfs/dbraw/zinc/23/67/09/300236709.db2.gz PXFLQZOUSFETRX-HNNXBMFYSA-N 1 0 322.453 0.934 10 30 DCEERO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000105797788 335788222 /nfs/dbraw/zinc/78/82/22/335788222.db2.gz YLSRDNOLDHFREJ-STQMWFEESA-N 1 0 316.409 0.215 10 30 DCEERO C=CCn1cc(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC000571993492 337585713 /nfs/dbraw/zinc/58/57/13/337585713.db2.gz GNSIGIOBACJLAO-HNNXBMFYSA-N 1 0 304.398 0.749 10 30 DCEERO C=CCNC(=O)CN1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000153085742 341524258 /nfs/dbraw/zinc/52/42/58/341524258.db2.gz GIDQULYJDMPAOI-UHFFFAOYSA-N 1 0 308.470 0.638 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCCN2c3ccccc3CC2=O)CCO1 ZINC000262474049 534271073 /nfs/dbraw/zinc/27/10/73/534271073.db2.gz POZHFFAOFSGOHS-GFCCVEGCSA-N 1 0 302.378 0.611 10 30 DCEERO C[NH+]=C(NCC(=O)N1CCCC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000175578547 526345246 /nfs/dbraw/zinc/34/52/46/526345246.db2.gz VXAPACOOAIISKB-CYBMUJFWSA-N 1 0 318.425 0.407 10 30 DCEERO C[NH+]=C(NCC1CCC1)N1CCN(CCC(=O)N(C)C)CC1 ZINC000262009064 526351385 /nfs/dbraw/zinc/35/13/85/526351385.db2.gz WEBKVBNVVKHWIT-UHFFFAOYSA-N 1 0 309.458 0.458 10 30 DCEERO C[NH+]=C(NCCNC(C)=O)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000262022617 526360821 /nfs/dbraw/zinc/36/08/21/526360821.db2.gz ZCVHACVEEIYGLV-AWEZNQCLSA-N 1 0 320.441 0.622 10 30 DCEERO C[NH+]=C(NCCn1cc(C)cn1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261848164 526366012 /nfs/dbraw/zinc/36/60/12/526366012.db2.gz XPIDRLWUAPLLGI-INIZCTEOSA-N 1 0 318.425 0.369 10 30 DCEERO C[NH+]=C(NCc1cccc(OC)n1)N1CCO[C@H](COC)C1 ZINC000261646175 526414695 /nfs/dbraw/zinc/41/46/95/526414695.db2.gz APHXDXKCKSUHMP-ZDUSSCGKSA-N 1 0 308.382 0.513 10 30 DCEERO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O ZINC000369206779 526478607 /nfs/dbraw/zinc/47/86/07/526478607.db2.gz WNECTEVYAVAZCZ-HUUCEWRRSA-N 1 0 321.421 0.344 10 30 DCEERO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374211116 526606647 /nfs/dbraw/zinc/60/66/47/526606647.db2.gz JATZWZLODLKOOK-NSHDSACASA-N 1 0 305.382 0.989 10 30 DCEERO C=CC[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCC2(C1)OCCO2 ZINC000262288620 526957166 /nfs/dbraw/zinc/95/71/66/526957166.db2.gz KSQXFOUUMRWEJM-LBPRGKRZSA-N 1 0 310.398 0.091 10 30 DCEERO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174885228 527016903 /nfs/dbraw/zinc/01/69/03/527016903.db2.gz HRQJXRZJMACGSS-CVEARBPZSA-N 1 0 306.454 0.226 10 30 DCEERO CC[NH+]=C(NCCc1ccco1)N[C@H]1CCc2ncnn2C1 ZINC000154191254 528807512 /nfs/dbraw/zinc/80/75/12/528807512.db2.gz YRDQLDPRCVUMJJ-LBPRGKRZSA-N 1 0 302.382 0.984 10 30 DCEERO CC[NH+]=C(N[C@H]1CC1(C)C)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261672894 528821173 /nfs/dbraw/zinc/82/11/73/528821173.db2.gz GWQAHADRNQJPEV-LBPRGKRZSA-N 1 0 309.458 0.632 10 30 DCEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000262388110 528821491 /nfs/dbraw/zinc/82/14/91/528821491.db2.gz LQMXNNOQFTZITF-AYRXBEOTSA-N 1 0 322.453 0.976 10 30 DCEERO C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262809490 658206826 /nfs/dbraw/zinc/20/68/26/658206826.db2.gz URAIOWXXQONKGP-QEYWKRMJSA-N 1 0 309.332 0.888 10 30 DCEERO CC[NH+]=C(NCCc1nc(C)no1)N1CC[C@@]2(CCOC2)C1 ZINC000262004610 661954638 /nfs/dbraw/zinc/95/46/38/661954638.db2.gz VHKSFKMGNKOSDC-OAHLLOKOSA-N 1 0 307.398 0.998 10 30 DCEERO CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000262381713 662359856 /nfs/dbraw/zinc/35/98/56/662359856.db2.gz KMUHNGQIFAWVHG-AAEUAGOBSA-N 1 0 316.471 0.941 10 30 DCEERO CS(=O)(=O)N[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000172022467 664614860 /nfs/dbraw/zinc/61/48/60/664614860.db2.gz WDHWQFLYNXRVNM-CQSZACIVSA-N 1 0 323.418 0.951 10 30 DCEERO C[NH+]=C(NCCc1c(C)nn(C)c1C)NCCN1CCOCC1 ZINC000303894749 685208406 /nfs/dbraw/zinc/20/84/06/685208406.db2.gz SUBJGHRCRVZBAW-UHFFFAOYSA-N 1 0 322.457 0.077 10 30 DCEERO CCS(=O)(=O)NCCNC(=[NH2+])NCCc1cccs1 ZINC000303908284 685208680 /nfs/dbraw/zinc/20/86/80/685208680.db2.gz XKPANHHMRQGDLD-UHFFFAOYSA-N 1 0 304.441 0.134 10 30 DCEERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N+]12CCN(CC1)CC2 ZINC000007612910 717104551 /nfs/dbraw/zinc/10/45/51/717104551.db2.gz RWBBUWWCQKEIIE-UHFFFAOYSA-O 1 0 305.358 0.988 10 30 DCEERO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N+]12CCN(CC1)CC2 ZINC000007613048 717105312 /nfs/dbraw/zinc/10/53/12/717105312.db2.gz DJXQGQQRFSKBMG-GFCCVEGCSA-O 1 0 304.370 0.888 10 30 DCEERO CC[C@]1(C)CCN(C(NCCNC(=O)c2cnccn2)=[NH+]C)C1 ZINC000261655196 529396100 /nfs/dbraw/zinc/39/61/00/529396100.db2.gz ALDAGZBGHNXLLU-MRXNPFEDSA-N 1 0 318.425 0.904 10 30 DCEERO C=CCNC(=O)c1ccc(N2CC[NH+](C[C@H](O)CC)CC2)nc1 ZINC000172819603 198154052 /nfs/dbraw/zinc/15/40/52/198154052.db2.gz VSBKWVICCZVPBV-OAHLLOKOSA-N 1 0 318.421 0.890 10 30 DCEERO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000262289129 238171739 /nfs/dbraw/zinc/17/17/39/238171739.db2.gz NDDBZTVKJNFBLG-GFCCVEGCSA-N 1 0 317.459 0.056 10 30 DCEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2COCCO2)c1 ZINC000163073011 291245792 /nfs/dbraw/zinc/24/57/92/291245792.db2.gz HQUFJFCNLYRGGK-CYBMUJFWSA-N 1 0 310.375 0.337 10 30 DCEERO CS(=O)(=O)c1cccnc1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262748803 533465577 /nfs/dbraw/zinc/46/55/77/533465577.db2.gz BEIXQERUGFWJHY-JTQLQIEISA-N 1 0 312.395 0.068 10 30 DCEERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000027567369 395695067 /nfs/dbraw/zinc/69/50/67/395695067.db2.gz WSVTYJVSQSVTAI-GDBMZVCRSA-N 1 0 317.389 0.851 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CCN(C[C@@H](O)CC)CC2)CC1 ZINC000181722002 396241530 /nfs/dbraw/zinc/24/15/30/396241530.db2.gz RKOIGZNCCGJRMQ-INIZCTEOSA-N 1 0 324.469 0.735 10 30 DCEERO CC[N@@H+]1CC[C@H](N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000078333030 396242736 /nfs/dbraw/zinc/24/27/36/396242736.db2.gz DCUABCBMJPWLSG-YPMHNXCESA-N 1 0 319.409 0.122 10 30 DCEERO C[C@@H]1C[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[N@@H+]1C1CC1 ZINC000371886311 396479295 /nfs/dbraw/zinc/47/92/95/396479295.db2.gz RUYJXPGWYVANSU-WWGRRREGSA-N 1 0 317.437 0.993 10 30 DCEERO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000612053165 396990487 /nfs/dbraw/zinc/99/04/87/396990487.db2.gz PXWGFNXERZCVRI-OAHLLOKOSA-N 1 0 311.426 0.684 10 30 DCEERO N#Cc1ccc(S(=O)(=O)NCC2([NH3+])CCOCC2)s1 ZINC000599100354 397335974 /nfs/dbraw/zinc/33/59/74/397335974.db2.gz CFODGQFAMDCICH-UHFFFAOYSA-N 1 0 301.393 0.406 10 30 DCEERO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)C1=O ZINC000599396878 397428993 /nfs/dbraw/zinc/42/89/93/397428993.db2.gz LAGMJTIALFXMFP-GJZGRUSLSA-N 1 0 321.421 0.776 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CCN(CCO)C[C@H]2C)CC1 ZINC000458319350 397429233 /nfs/dbraw/zinc/42/92/33/397429233.db2.gz GASYMEHUNNVQMK-CQSZACIVSA-N 1 0 310.442 0.345 10 30 DCEERO Cc1cc(C#N)nc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC000367327731 159331814 /nfs/dbraw/zinc/33/18/14/159331814.db2.gz TVFGVWJYEQLZKE-AWEZNQCLSA-N 1 0 314.393 0.575 10 30 DCEERO CCOCCN1CCN(CC(=O)N(CC)CCC#N)C[C@H]1C ZINC000105835481 415636864 /nfs/dbraw/zinc/63/68/64/415636864.db2.gz CPRONVGMJQGPDB-OAHLLOKOSA-N 1 0 310.442 0.791 10 30 DCEERO C=CCNC(=O)[C@@H](C)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109755852 415683795 /nfs/dbraw/zinc/68/37/95/415683795.db2.gz NAKDMQPABVFHOQ-HZPDHXFCSA-N 1 0 308.470 0.779 10 30 DCEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000113305747 415715871 /nfs/dbraw/zinc/71/58/71/415715871.db2.gz OHGFTZYKJYSYJA-WCQYABFASA-N 1 0 306.391 0.810 10 30 DCEERO C=CCn1c([C@H]2COCCO2)nnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000328778448 416133301 /nfs/dbraw/zinc/13/33/01/416133301.db2.gz GFCMCGZTJHSFFD-ZIAGYGMSSA-N 1 0 319.409 0.836 10 30 DCEERO CC[C@@H]1CN([C@@H](C)C(=O)N(C)CCC#N)CC[N@@H+]1C[C@H](C)O ZINC000247248840 416332735 /nfs/dbraw/zinc/33/27/35/416332735.db2.gz TUNQHENOMZXICW-SOUVJXGZSA-N 1 0 310.442 0.524 10 30 DCEERO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627290396 417333167 /nfs/dbraw/zinc/33/31/67/417333167.db2.gz OTPDDJQHRWALNG-FQUUOJAGSA-N 1 0 309.410 0.341 10 30 DCEERO C=CC(C)(C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000627434799 417408999 /nfs/dbraw/zinc/40/89/99/417408999.db2.gz TYXSJOGDNHFCNG-CHWSQXEVSA-N 1 0 311.426 0.527 10 30 DCEERO C=CCN1CC[C@H](N2CCC(C)([NH+]3CCOCC3)CC2)C1=O ZINC000528726192 417383229 /nfs/dbraw/zinc/38/32/29/417383229.db2.gz AMTAQXQCPSQYGO-HNNXBMFYSA-N 1 0 307.438 0.960 10 30 DCEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627490205 417439577 /nfs/dbraw/zinc/43/95/77/417439577.db2.gz WZXBDIPBSXWIFP-KGLIPLIRSA-N 1 0 311.426 0.719 10 30 DCEERO C=CCC[C@H](CO)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000456778379 417662806 /nfs/dbraw/zinc/66/28/06/417662806.db2.gz OBWOTLKYRMMHNG-OAHLLOKOSA-N 1 0 318.421 0.890 10 30 DCEERO Cn1c(C#N)ccc1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000451457614 268112938 /nfs/dbraw/zinc/11/29/38/268112938.db2.gz UWZPSQBXVNSYDN-UHFFFAOYSA-N 1 0 303.410 0.653 10 30 DCEERO C[NH+]=C(NCC1(O)CCCC1)N1CCN(Cc2ccon2)CC1 ZINC000261863290 275405186 /nfs/dbraw/zinc/40/51/86/275405186.db2.gz ZQACENSSIPLYGM-UHFFFAOYSA-N 1 0 321.425 0.673 10 30 DCEERO C[NH+]=C(NCc1ncccc1C)N1CCN(C2CC2)C(=O)C1 ZINC000262793225 275408944 /nfs/dbraw/zinc/40/89/44/275408944.db2.gz OVMUUXJXSDDLBV-UHFFFAOYSA-N 1 0 301.394 0.772 10 30 DCEERO CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000173457946 276444800 /nfs/dbraw/zinc/44/48/00/276444800.db2.gz KDEFRRGJSALBEU-MRXNPFEDSA-N 1 0 316.405 0.885 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128927761 276900517 /nfs/dbraw/zinc/90/05/17/276900517.db2.gz BKUXHGSJEVHYQZ-QWHCGFSZSA-N 1 0 305.382 0.968 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@H]1O)N1CCN(C2CC2)C(=O)C1 ZINC000262805349 278167863 /nfs/dbraw/zinc/16/78/63/278167863.db2.gz SLVKPFHSSNPQKC-GXTWGEPZSA-N 1 0 308.426 0.420 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261727774 278168000 /nfs/dbraw/zinc/16/80/00/278168000.db2.gz JDOJLOHUDRCIFU-GRDNDAEWSA-N 1 0 322.453 0.715 10 30 DCEERO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246471887 279224634 /nfs/dbraw/zinc/22/46/34/279224634.db2.gz ODONNOHPMVRBEP-OAGGEKHMSA-N 1 0 322.453 0.647 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000425881358 334228082 /nfs/dbraw/zinc/22/80/82/334228082.db2.gz SWMWBQBTOIOVRJ-KKUMJFAQSA-N 1 0 311.426 0.724 10 30 DCEERO CC[NH+]1CCC(NC(=O)CN2CCO[C@@]3(CCOC3)C2)CC1 ZINC000329887054 336092365 /nfs/dbraw/zinc/09/23/65/336092365.db2.gz WYKHDWSIUUCNHF-INIZCTEOSA-N 1 0 311.426 0.919 10 30 DCEERO Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NC[C@@H]2CCC[N@H+]2C)n1 ZINC000329960327 336100312 /nfs/dbraw/zinc/10/03/12/336100312.db2.gz ROENWZXPQFOATG-QJPTWQEYSA-N 1 0 309.370 0.494 10 30 DCEERO C=CCC1(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)CCOCC1 ZINC000577868264 341945139 /nfs/dbraw/zinc/94/51/39/341945139.db2.gz FLQZTJGBFDTFSB-UHFFFAOYSA-N 1 0 320.397 0.526 10 30 DCEERO C[NH+]=C(NCC1(CCOC)CC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261654191 526350175 /nfs/dbraw/zinc/35/01/75/526350175.db2.gz AHYGUMKSLSGPCA-QGZVFWFLSA-N 1 0 322.453 0.981 10 30 DCEERO C[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1CCC(=O)NC1 ZINC000262816214 526365926 /nfs/dbraw/zinc/36/59/26/526365926.db2.gz VWTBQVMZQRIVFZ-LLVKDONJSA-N 1 0 309.439 0.746 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@@H](COC)C1 ZINC000262754601 526372870 /nfs/dbraw/zinc/37/28/70/526372870.db2.gz CWGOXTSTCPNMBW-UONOGXRCSA-N 1 0 320.441 0.693 10 30 DCEERO C[NH+]=C(NCc1ccnn1C)NC[C@@]1(N(C)C)CCSC1 ZINC000262791357 526387658 /nfs/dbraw/zinc/38/76/58/526387658.db2.gz OEKJHDFAWCCLGQ-AWEZNQCLSA-N 1 0 310.471 0.522 10 30 DCEERO C[NH+]=C(NCc1cnn(C)c1)N1CCN(Cc2ccon2)CC1 ZINC000261699633 526389299 /nfs/dbraw/zinc/38/92/99/526389299.db2.gz GAHRVXOMTOYXTP-UHFFFAOYSA-N 1 0 317.397 0.301 10 30 DCEERO C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000261962310 526390962 /nfs/dbraw/zinc/39/09/62/526390962.db2.gz KOBTWEMUGLGWAA-GFCCVEGCSA-N 1 0 316.413 0.422 10 30 DCEERO C[NH+]=C(NCc1noc(C)n1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261803980 526393871 /nfs/dbraw/zinc/39/38/71/526393871.db2.gz RTAHQRXMFITHON-AWEZNQCLSA-N 1 0 306.370 0.056 10 30 DCEERO C[NH+]=C(NCc1cccn1C)NC1CCN(C(=O)COC)CC1 ZINC000262763419 526414880 /nfs/dbraw/zinc/41/48/80/526414880.db2.gz FAGSJQMPNFYTEK-UHFFFAOYSA-N 1 0 321.425 0.328 10 30 DCEERO C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000262433862 526416699 /nfs/dbraw/zinc/41/66/99/526416699.db2.gz SUSNWIQIRSWAKE-HSMVNMDESA-N 1 0 310.442 0.976 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC000357626504 526427973 /nfs/dbraw/zinc/42/79/73/526427973.db2.gz YGZLPRRIOZXTJM-ZDUSSCGKSA-N 1 0 308.426 0.899 10 30 DCEERO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000247046021 527020864 /nfs/dbraw/zinc/02/08/64/527020864.db2.gz FAJJNIOBGYTVRD-DOMZBBRYSA-N 1 0 303.410 0.745 10 30 DCEERO C=CCn1c(C)nnc1N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000282704277 527299592 /nfs/dbraw/zinc/29/95/92/527299592.db2.gz VFAAKEXLHXIABE-UHFFFAOYSA-N 1 0 306.414 0.373 10 30 DCEERO C=CCN(CC=C)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000283850145 527600429 /nfs/dbraw/zinc/60/04/29/527600429.db2.gz BCMPNMNVPAFZPP-UHFFFAOYSA-N 1 0 309.410 0.416 10 30 DCEERO CC[NH+]=C(NCCO)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000261958139 528806797 /nfs/dbraw/zinc/80/67/97/528806797.db2.gz JIMWYCMQTBQPSE-NSHDSACASA-N 1 0 311.817 0.861 10 30 DCEERO CC[NH+]=C(NCCc1ccncc1)N1CCN(C2CC2)C(=O)C1 ZINC000262806111 528807751 /nfs/dbraw/zinc/80/77/51/528807751.db2.gz SDGWXZBKNZYCHA-UHFFFAOYSA-N 1 0 315.421 0.896 10 30 DCEERO CC[NH+]=C(NC[C@H]1CCOC1)N1CCN(Cc2ccon2)CC1 ZINC000152855933 528813854 /nfs/dbraw/zinc/81/38/54/528813854.db2.gz OVTHCOALTIUTSC-CQSZACIVSA-N 1 0 321.425 0.794 10 30 DCEERO CC[NH+]=C(NCCN1CCC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261710326 661524033 /nfs/dbraw/zinc/52/40/33/661524033.db2.gz HDCBXRNGNFGILT-HNNXBMFYSA-N 1 0 320.441 0.465 10 30 DCEERO C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CCCn2nc(C)nc21 ZINC000262354634 662345265 /nfs/dbraw/zinc/34/52/65/662345265.db2.gz FRCJNQLJZQTSDV-BXUZGUMPSA-N 1 0 324.454 0.454 10 30 DCEERO CCC1CCC(NC(NCCNS(C)(=O)=O)=[NH+]C)CC1 ZINC000085503467 662976117 /nfs/dbraw/zinc/97/61/17/662976117.db2.gz ABMGHBRUGCHCES-UHFFFAOYSA-N 1 0 304.460 0.669 10 30 DCEERO C[S@](=O)CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000158078738 664523401 /nfs/dbraw/zinc/52/34/01/664523401.db2.gz KOWUJQFHZRPZQT-GOSISDBHSA-N 1 0 300.405 0.300 10 30 DCEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCN1C(=O)CCC1=O ZINC000121690746 667471465 /nfs/dbraw/zinc/47/14/65/667471465.db2.gz WRPOQUBVVZOHSK-CYBMUJFWSA-N 1 0 308.378 0.802 10 30 DCEERO C#CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000741211759 667761479 /nfs/dbraw/zinc/76/14/79/667761479.db2.gz FRQYGFNBAOSKDI-CYBMUJFWSA-N 1 0 300.424 0.367 10 30 DCEERO CC[C@@H]1CN(C(NC[C@@H]2CN(C)CCO2)=[NH+]C)CCS1 ZINC000124046258 667891330 /nfs/dbraw/zinc/89/13/30/667891330.db2.gz IJNVAVKZDANBSB-CHWSQXEVSA-N 1 0 300.472 0.720 10 30 DCEERO C[NH+](C)[C@@H]1CN(C(=O)c2cccc(C#N)n2)C[C@@H]1n1ccnn1 ZINC000826791866 668138395 /nfs/dbraw/zinc/13/83/95/668138395.db2.gz ATFOBDIHYDWCOU-KGLIPLIRSA-N 1 0 311.349 0.172 10 30 DCEERO COc1ccccc1CNC(=[NH2+])NC[C@]1(CCO)CCOC1 ZINC000126132952 668501103 /nfs/dbraw/zinc/50/11/03/668501103.db2.gz VRNUOPQFSRZMBC-INIZCTEOSA-N 1 0 307.394 0.889 10 30 DCEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)CN1CCCS1(=O)=O ZINC000121526465 672058827 /nfs/dbraw/zinc/05/88/27/672058827.db2.gz CCRJSBSXLJVPQH-ZDUSSCGKSA-N 1 0 316.423 0.299 10 30 DCEERO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCn2ccnn2)c1 ZINC000126797796 1177267044 /nfs/dbraw/zinc/26/70/44/1177267044.db2.gz BTMLGMRHXJSRAO-UHFFFAOYSA-N 1 0 305.363 0.213 10 30 DCEERO CN(C(=[NH2+])NCCN1CCN(C(=O)C2CCC2)CC1)C1CC1 ZINC000262298260 238171891 /nfs/dbraw/zinc/17/18/91/238171891.db2.gz ZAVQYANNHGDXRE-UHFFFAOYSA-N 1 0 307.442 0.340 10 30 DCEERO COc1cc(C#N)ccc1OCCN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187650473 533503581 /nfs/dbraw/zinc/50/35/81/533503581.db2.gz XIOAHXCYWNAZDQ-AWEZNQCLSA-N 1 0 319.405 0.944 10 30 DCEERO CN(CC(N)=O)C[C@H]1CN(c2cccc(F)c2C#N)CCO1 ZINC000275529313 130330449 /nfs/dbraw/zinc/33/04/49/130330449.db2.gz DOAPSIYRQXBFPY-NSHDSACASA-N 1 0 306.341 0.320 10 30 DCEERO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000092798254 395733318 /nfs/dbraw/zinc/73/33/18/395733318.db2.gz SAKREAWPMPCHLN-MRXNPFEDSA-N 1 0 322.453 0.935 10 30 DCEERO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccnc(C#N)c1 ZINC000194061311 395787220 /nfs/dbraw/zinc/78/72/20/395787220.db2.gz RUARTLACUPILFH-GFCCVEGCSA-N 1 0 302.378 0.870 10 30 DCEERO Cc1ccc(C#N)cc1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116900458 395849808 /nfs/dbraw/zinc/84/98/08/395849808.db2.gz WLDDIBRTWZKTAZ-CQSZACIVSA-N 1 0 323.418 0.818 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000279564275 396184255 /nfs/dbraw/zinc/18/42/55/396184255.db2.gz SLIOVJUKTLFZCD-INIZCTEOSA-N 1 0 306.410 0.558 10 30 DCEERO C=C(C)COCCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584711873 396616336 /nfs/dbraw/zinc/61/63/36/396616336.db2.gz AONBSFPLJPQUDX-INIZCTEOSA-N 1 0 309.410 0.297 10 30 DCEERO C=CC[C@@]1(C(=O)N2CCN(CCC(=O)OC)[C@@H](C)C2)CCC[NH2+]1 ZINC000595956052 396695635 /nfs/dbraw/zinc/69/56/35/396695635.db2.gz JBRQQKJORCPYTG-YOEHRIQHSA-N 1 0 323.437 0.781 10 30 DCEERO C=CCn1cc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)nn1 ZINC000566146142 396917165 /nfs/dbraw/zinc/91/71/65/396917165.db2.gz XGNNHUZPJDLTTJ-AWEZNQCLSA-N 1 0 304.398 0.842 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000612045152 396989131 /nfs/dbraw/zinc/98/91/31/396989131.db2.gz QKGXWHVXXUYAEU-HUUCEWRRSA-N 1 0 323.437 0.828 10 30 DCEERO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)n1cnc(C#N)n1 ZINC000619614464 397159432 /nfs/dbraw/zinc/15/94/32/397159432.db2.gz DBOVHMSNYGKCTH-AGIUHOORSA-N 1 0 302.382 0.653 10 30 DCEERO CC[C@H](O)C[NH+]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000118856986 158179345 /nfs/dbraw/zinc/17/93/45/158179345.db2.gz PCKSNCPWKRWQTD-INIZCTEOSA-N 1 0 316.405 0.885 10 30 DCEERO C=CCNC(=O)CN1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000352623614 415251697 /nfs/dbraw/zinc/25/16/97/415251697.db2.gz PBYCVUBUMHQTRS-INIZCTEOSA-N 1 0 309.454 0.847 10 30 DCEERO C=C(C)C[N@H+](CC)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000072950118 415418043 /nfs/dbraw/zinc/41/80/43/415418043.db2.gz UYIJAJLOFQVUNH-UHFFFAOYSA-N 1 0 319.409 0.722 10 30 DCEERO COCCN1CCN(S(=O)(=O)CCCCC#N)C[C@@H]1C ZINC000117369372 415731589 /nfs/dbraw/zinc/73/15/89/415731589.db2.gz YROIINSRUFYASB-ZDUSSCGKSA-N 1 0 303.428 0.663 10 30 DCEERO C=CCNC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119525355 415745216 /nfs/dbraw/zinc/74/52/16/415745216.db2.gz LYUHGVHDZRZMSP-XYPWUTKMSA-N 1 0 306.454 0.531 10 30 DCEERO C=CCN1CC[C@H]([N@H+]2C[C@@H](OC)C[C@@H]2CC(=O)OCC)C1=O ZINC000337214423 415929245 /nfs/dbraw/zinc/92/92/45/415929245.db2.gz XLUKEUJYRRIPAT-RDBSUJKOSA-N 1 0 310.394 0.816 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)cn2)CC1 ZINC000344716469 415975037 /nfs/dbraw/zinc/97/50/37/415975037.db2.gz RXQLIIGQWUYQAS-UHFFFAOYSA-N 1 0 324.406 0.109 10 30 DCEERO C#CCOCCC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000132351347 415932314 /nfs/dbraw/zinc/93/23/14/415932314.db2.gz JEQSLEVDUBXOLK-MRXNPFEDSA-N 1 0 307.438 0.655 10 30 DCEERO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C#N)n2)[C@@H](C)C1 ZINC000302812082 416099489 /nfs/dbraw/zinc/09/94/89/416099489.db2.gz HGOAXJGZDSRLRQ-QWRGUYRKSA-N 1 0 305.338 0.753 10 30 DCEERO Cc1ncc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1C#N ZINC000314563371 416111900 /nfs/dbraw/zinc/11/19/00/416111900.db2.gz TXEMQROHUCAKHS-CYBMUJFWSA-N 1 0 308.407 0.976 10 30 DCEERO Cc1ncc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C#N ZINC000314688590 416112338 /nfs/dbraw/zinc/11/23/38/416112338.db2.gz CBWVFBHLTDBGRZ-CYBMUJFWSA-N 1 0 306.391 0.730 10 30 DCEERO CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCn4ncnc43)C[C@@H]21 ZINC000328888538 416137757 /nfs/dbraw/zinc/13/77/57/416137757.db2.gz QEFJKWHWPQUVEG-FRRDWIJNSA-N 1 0 320.397 0.432 10 30 DCEERO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000329231855 416158299 /nfs/dbraw/zinc/15/82/99/416158299.db2.gz KXLRRHMPHWOUMK-SNVBAGLBSA-N 1 0 322.331 0.701 10 30 DCEERO C=CCN(C)C(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000420207758 416417420 /nfs/dbraw/zinc/41/74/20/416417420.db2.gz XNRAUOMSMNAJJZ-UHFFFAOYSA-N 1 0 305.422 0.901 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000424546761 416663589 /nfs/dbraw/zinc/66/35/89/416663589.db2.gz NQJGHEAWKPISSV-FQUUOJAGSA-N 1 0 309.410 0.137 10 30 DCEERO C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000407958780 417127427 /nfs/dbraw/zinc/12/74/27/417127427.db2.gz STUUZOOXNZBFPQ-JHJVBQTASA-N 1 0 302.444 0.737 10 30 DCEERO C=CCCOCCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627306727 417341538 /nfs/dbraw/zinc/34/15/38/417341538.db2.gz KBDCHKBJTWEROV-IYBDPMFKSA-N 1 0 309.410 0.153 10 30 DCEERO C=CCNc1ncc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)s1 ZINC000452388701 417481836 /nfs/dbraw/zinc/48/18/36/417481836.db2.gz KDUKZWGZOKCUJE-LBPRGKRZSA-N 1 0 324.450 1.318 10 30 DCEERO C[NH2+]CCCc1[nH]nc(NC(=O)Cn2nc(C)cc2C)c1C#N ZINC000535505886 287834258 /nfs/dbraw/zinc/83/42/58/287834258.db2.gz UPNWMGGQPRYPJR-UHFFFAOYSA-N 1 0 315.381 0.885 10 30 DCEERO C=CC[C@H](CO)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000185779062 335149164 /nfs/dbraw/zinc/14/91/64/335149164.db2.gz NQAHNQZYDWLZGQ-HZPDHXFCSA-N 1 0 304.390 0.941 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](C(=O)OC)C2)CC1 ZINC000330664509 334796913 /nfs/dbraw/zinc/79/69/13/334796913.db2.gz YPZGSGUSOQSRNN-CYBMUJFWSA-N 1 0 311.382 0.425 10 30 DCEERO C#CCC[NH+]1CCN(c2cc(COC)nc3ncnn32)CC1 ZINC000301077035 336288618 /nfs/dbraw/zinc/28/86/18/336288618.db2.gz GZHFSKYYZXEZAP-UHFFFAOYSA-N 1 0 300.366 0.416 10 30 DCEERO C=CCN1CCC(NS(=O)(=O)C[C@@H](OC)C2CC2)CC1 ZINC000582903184 337213417 /nfs/dbraw/zinc/21/34/17/337213417.db2.gz SZFGQGQAVJCQFL-CQSZACIVSA-N 1 0 302.440 0.981 10 30 DCEERO C=CCn1cc(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)nn1 ZINC000571993497 337585732 /nfs/dbraw/zinc/58/57/32/337585732.db2.gz GNSIGIOBACJLAO-OAHLLOKOSA-N 1 0 304.398 0.749 10 30 DCEERO CCCNC(=[NH2+])NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000262760029 337620974 /nfs/dbraw/zinc/62/09/74/337620974.db2.gz FSXCOCICBYDTSN-SMDDNHRTSA-N 1 0 306.414 0.562 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000424549117 337858729 /nfs/dbraw/zinc/85/87/29/337858729.db2.gz QYEUIMZYYAGBID-STQMWFEESA-N 1 0 309.410 0.200 10 30 DCEERO Cc1cnn(C[C@@H]2C[N@H+](CCC(=O)N(C)CCC#N)CCO2)c1 ZINC000131525414 341093808 /nfs/dbraw/zinc/09/38/08/341093808.db2.gz ILXWAZOTIUVOCX-HNNXBMFYSA-N 1 0 319.409 0.655 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCO[C@H]2c2ccnn2C)CCO1 ZINC000262665790 534271374 /nfs/dbraw/zinc/27/13/74/534271374.db2.gz OPHAIWGVRVXGAE-MBNYWOFBSA-N 1 0 307.398 0.533 10 30 DCEERO Cc1noc([C@@H]2CC[C@H](CNC(=[NH2+])NC[C@@H]3CCCO3)O2)n1 ZINC000262786411 534462310 /nfs/dbraw/zinc/46/23/10/534462310.db2.gz MSQCIMPIVPLNQB-TUAOUCFPSA-N 1 0 309.370 0.681 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000425857325 534586468 /nfs/dbraw/zinc/58/64/68/534586468.db2.gz ATBUYNQCUHGEAN-KBPBESRZSA-N 1 0 323.437 0.684 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000425874960 534587867 /nfs/dbraw/zinc/58/78/67/534587867.db2.gz SGPFUFJRDQICQE-YJNKXOJESA-N 1 0 321.421 0.437 10 30 DCEERO C[NH+]=C(NCC1CCSCC1)N[C@@H]1CCc2ncnn2C1 ZINC000262792794 526353138 /nfs/dbraw/zinc/35/31/38/526353138.db2.gz OKYCZNZXTBMOSP-GFCCVEGCSA-N 1 0 308.455 0.901 10 30 DCEERO C[NH+]=C(NCCN1CCC1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261661134 526356963 /nfs/dbraw/zinc/35/69/63/526356963.db2.gz ARORIBSIHQBOHG-CQSZACIVSA-N 1 0 303.410 0.816 10 30 DCEERO C[NH+]=C(NCCc1ccccc1O)N1CCN(C2CC2)C(=O)C1 ZINC000262808793 526364797 /nfs/dbraw/zinc/36/47/97/526364797.db2.gz UPJVIYSOWOIGHD-UHFFFAOYSA-N 1 0 316.405 0.817 10 30 DCEERO C[NH+]=C(NCCc1ccccn1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261959734 526365131 /nfs/dbraw/zinc/36/51/31/526365131.db2.gz JUVGBRQOMRJYCJ-UHFFFAOYSA-N 1 0 324.450 0.709 10 30 DCEERO C[NH+]=C(NC[C@@H]1CN(C)CCO1)NC[C@]1(C)CCCS1 ZINC000159275282 526373242 /nfs/dbraw/zinc/37/32/42/526373242.db2.gz FYKJGNQAKKJHPG-OCCSQVGLSA-N 1 0 300.472 0.768 10 30 DCEERO C[NH+]=C(NC[C@@H]1CN(C)CCO1)N(C)Cc1csc(C)n1 ZINC000155646113 526373910 /nfs/dbraw/zinc/37/39/10/526373910.db2.gz DWOMGETWWYAARO-CYBMUJFWSA-N 1 0 311.455 0.789 10 30 DCEERO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000262400330 526394624 /nfs/dbraw/zinc/39/46/24/526394624.db2.gz NOBOVUIORRXCFA-OSRDXIQISA-N 1 0 322.453 0.976 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000363408980 526595989 /nfs/dbraw/zinc/59/59/89/526595989.db2.gz XBVROAMJQPEWPS-UHFFFAOYSA-N 1 0 303.362 0.118 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H](CC(=O)NC)c1ccccc1 ZINC000361647502 526596755 /nfs/dbraw/zinc/59/67/55/526596755.db2.gz YQCZXASQTNQUFL-CYBMUJFWSA-N 1 0 318.377 0.465 10 30 DCEERO C#CCOCCC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372305226 527065347 /nfs/dbraw/zinc/06/53/47/527065347.db2.gz NPIUBJNQSYGHGK-INIZCTEOSA-N 1 0 307.438 0.653 10 30 DCEERO C=CC[C@@H](CO)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000183520609 527087956 /nfs/dbraw/zinc/08/79/56/527087956.db2.gz RKPSJZKQTYUJPA-HIFRSBDPSA-N 1 0 311.426 0.724 10 30 DCEERO C=CC[C@@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364945224 527094293 /nfs/dbraw/zinc/09/42/93/527094293.db2.gz PVYCGXBXIOWETM-KBPBESRZSA-N 1 0 310.442 0.391 10 30 DCEERO C=CCc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc(OC)c1OC ZINC000262296843 527233934 /nfs/dbraw/zinc/23/39/34/527233934.db2.gz PEWWNGLBJIZXLO-UONOGXRCSA-N 1 0 320.389 0.742 10 30 DCEERO C#Cc1cccc(NC(=O)CNC(=[NH2+])N2CCO[C@H](C)C2)c1 ZINC000262488080 527448267 /nfs/dbraw/zinc/44/82/67/527448267.db2.gz TWXZDWZLFATIJE-GFCCVEGCSA-N 1 0 300.362 0.642 10 30 DCEERO CCCNC(=[NH2+])NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000263273385 528161058 /nfs/dbraw/zinc/16/10/58/528161058.db2.gz PRORSKGINSWEQY-LBPRGKRZSA-N 1 0 316.413 0.655 10 30 DCEERO CC[NH+]=C(NCC1(O)CCCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261785209 528804016 /nfs/dbraw/zinc/80/40/16/528804016.db2.gz PSROJEWIWWCWNO-INIZCTEOSA-N 1 0 322.453 0.859 10 30 DCEERO CC[NH+]=C(NCC1(O)CCC1)N1CCN(Cc2ccon2)CC1 ZINC000261856389 528804330 /nfs/dbraw/zinc/80/43/30/528804330.db2.gz YTIIBDLHCOXPCN-UHFFFAOYSA-N 1 0 321.425 0.673 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1CN(C)CCO1 ZINC000157350290 528809613 /nfs/dbraw/zinc/80/96/13/528809613.db2.gz JPNQERCFSDKPCU-OLZOCXBDSA-N 1 0 300.472 0.768 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCOC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261801758 528812193 /nfs/dbraw/zinc/81/21/93/528812193.db2.gz RNQOXPLFYKCIFB-BBRMVZONSA-N 1 0 308.426 0.591 10 30 DCEERO CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000262326500 529349956 /nfs/dbraw/zinc/34/99/56/529349956.db2.gz XDXIAXOHFCVVFH-VXGBXAGGSA-N 1 0 319.475 0.350 10 30 DCEERO C=CCn1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)nn1 ZINC000615274828 546317661 /nfs/dbraw/zinc/31/76/61/546317661.db2.gz KLHPXAJLRDITNO-KBPBESRZSA-N 1 0 305.382 0.399 10 30 DCEERO CS(=O)(=O)c1ccc(CNC(=[NH2+])NC[C@@H]2CCCO2)cc1 ZINC000261759889 661629414 /nfs/dbraw/zinc/62/94/14/661629414.db2.gz LGPRMOBHICEABP-LBPRGKRZSA-N 1 0 311.407 0.673 10 30 DCEERO C=CCCC(=O)OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000726651496 661662807 /nfs/dbraw/zinc/66/28/07/661662807.db2.gz SQJSOBWQQDUOMT-AWEZNQCLSA-N 1 0 312.410 0.969 10 30 DCEERO C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1CCC[C@H]1C#N ZINC000262817328 662586338 /nfs/dbraw/zinc/58/63/38/662586338.db2.gz WDIGPMRWKAVZQY-WCQYABFASA-N 1 0 303.414 0.843 10 30 DCEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CN(C)S(C)(=O)=O ZINC000121692038 667471451 /nfs/dbraw/zinc/47/14/51/667471451.db2.gz QPGCARYCJBSDDT-GFCCVEGCSA-N 1 0 304.412 0.155 10 30 DCEERO CO[C@@]1(C[NH2+]Cc2ccc(C#N)s2)CCS(=O)(=O)C1 ZINC000721207394 685317921 /nfs/dbraw/zinc/31/79/21/685317921.db2.gz SIUZYIGNBHZSJH-GFCCVEGCSA-N 1 0 300.405 0.913 10 30 DCEERO COC(=O)c1ccc(NC(=O)[C@H](C)[N+]23CCN(CC2)CC3)cc1 ZINC000029228778 717117884 /nfs/dbraw/zinc/11/78/84/717117884.db2.gz IHYBQBKFOKNFRA-ZDUSSCGKSA-O 1 0 318.397 0.946 10 30 DCEERO CCc1nc(CNC(N[C@@H]2CCc3ncnn3C2)=[NH+]C)cs1 ZINC000152027082 529735644 /nfs/dbraw/zinc/73/56/44/529735644.db2.gz FRTQLKGLGGOCDZ-SNVBAGLBSA-N 1 0 319.438 0.977 10 30 DCEERO C[NH+]=C(NCCN1CCOCC1)N[C@@H]1COc2ccc(F)cc21 ZINC000262415612 530039286 /nfs/dbraw/zinc/03/92/86/530039286.db2.gz QCGFPIXVUMMPBE-CQSZACIVSA-N 1 0 322.384 0.756 10 30 DCEERO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000155516925 530053274 /nfs/dbraw/zinc/05/32/74/530053274.db2.gz BXRZWCBJHXFLPR-UHFFFAOYSA-N 1 0 300.362 0.855 10 30 DCEERO C[C@]1(C(N)=O)CCCCN1CC(=O)N(CCC#N)CCC#N ZINC000185958402 237304598 /nfs/dbraw/zinc/30/45/98/237304598.db2.gz DEBCARTYKHLIRE-OAHLLOKOSA-N 1 0 305.382 0.372 10 30 DCEERO C[C@@H]1CN(C(C)(C)CNC(=[NH2+])NC[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000261898209 238168283 /nfs/dbraw/zinc/16/82/83/238168283.db2.gz VJIQHZZFBSLYBI-MCIONIFRSA-N 1 0 312.458 0.958 10 30 DCEERO [NH2+]=C(NCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccccn1 ZINC000262472739 238174418 /nfs/dbraw/zinc/17/44/18/238174418.db2.gz HBKTWPDBLJBMFN-UHFFFAOYSA-N 1 0 316.365 0.673 10 30 DCEERO CN(C)C(=[NH2+])NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000263272062 238187192 /nfs/dbraw/zinc/18/71/92/238187192.db2.gz PHCZWFDZSGDXJW-LLVKDONJSA-N 1 0 302.386 0.217 10 30 DCEERO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000375956673 533144687 /nfs/dbraw/zinc/14/46/87/533144687.db2.gz YHCKZBIDKDJYJV-QWHCGFSZSA-N 1 0 314.455 0.929 10 30 DCEERO C=CC[NH+](CC=C)[C@H](CNC(=O)CN1CC(=O)NC1=O)C(C)C ZINC000134931337 395935726 /nfs/dbraw/zinc/93/57/26/395935726.db2.gz LHNCLARHUWEKDZ-CYBMUJFWSA-N 1 0 322.409 0.353 10 30 DCEERO CN1CCO[C@@H](C[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246418905 395950035 /nfs/dbraw/zinc/95/00/35/395950035.db2.gz KLIMUCYGNVPTJA-STQMWFEESA-N 1 0 320.418 0.645 10 30 DCEERO C#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000177675238 396181308 /nfs/dbraw/zinc/18/13/08/396181308.db2.gz PPDFEJUKXMVMHL-HNNXBMFYSA-N 1 0 315.373 0.395 10 30 DCEERO CN(C)CC[NH+]1CCC(CNC(=O)c2ccnc(C#N)c2)CC1 ZINC000193252259 396446721 /nfs/dbraw/zinc/44/67/21/396446721.db2.gz IXWPNVWSCNDELF-UHFFFAOYSA-N 1 0 315.421 0.957 10 30 DCEERO C[C@H](CNC(=O)c1ccnc(C#N)c1)C[NH+]1CCN(C)CC1 ZINC000193251613 396446941 /nfs/dbraw/zinc/44/69/41/396446941.db2.gz HREBPQVGRCNLAV-CYBMUJFWSA-N 1 0 301.394 0.567 10 30 DCEERO N#Cc1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccn1 ZINC000193455401 396451543 /nfs/dbraw/zinc/45/15/43/396451543.db2.gz ORYLMUKHRQAKBV-ZDUSSCGKSA-N 1 0 300.362 0.748 10 30 DCEERO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000520620853 396529779 /nfs/dbraw/zinc/52/97/79/396529779.db2.gz OOVHLUZVRLYFIU-UHFFFAOYSA-N 1 0 302.378 0.585 10 30 DCEERO CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586862455 396669873 /nfs/dbraw/zinc/66/98/73/396669873.db2.gz WYAKSXFQJPGKCF-UHFFFAOYSA-N 1 0 306.341 0.334 10 30 DCEERO C=CCOCCCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000611640390 396901266 /nfs/dbraw/zinc/90/12/66/396901266.db2.gz HEOTYQZWPCQYOU-STQMWFEESA-N 1 0 309.410 0.437 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612598348 397101934 /nfs/dbraw/zinc/10/19/34/397101934.db2.gz CZGWEZAQBUZGEV-HNNXBMFYSA-N 1 0 323.437 0.781 10 30 DCEERO C[C@@H](C(=O)NCC1CC[NH+](C2CC2)CC1)n1cnc(C#N)n1 ZINC000619617333 397160655 /nfs/dbraw/zinc/16/06/55/397160655.db2.gz CXUJIFPVTSQRCH-NSHDSACASA-N 1 0 302.382 0.701 10 30 DCEERO N#CCN1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000609340249 397771341 /nfs/dbraw/zinc/77/13/41/397771341.db2.gz MHUDAGCWIUTBNH-UHFFFAOYSA-N 1 0 302.382 0.203 10 30 DCEERO CN1CCO[C@@H]2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)C[C@H]21 ZINC000332755462 415464669 /nfs/dbraw/zinc/46/46/69/415464669.db2.gz JFYPJLMQFYYWIT-FMKPAKJESA-N 1 0 306.410 0.200 10 30 DCEERO CN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891378 415653279 /nfs/dbraw/zinc/65/32/79/415653279.db2.gz WTVXKFCINWUKDU-GFCCVEGCSA-N 1 0 300.428 0.683 10 30 DCEERO CCOCCN1CCN(S(=O)(=O)CCCC#N)C[C@@H]1C ZINC000117368959 415733407 /nfs/dbraw/zinc/73/34/07/415733407.db2.gz NIHVUJSDTWULDM-ZDUSSCGKSA-N 1 0 303.428 0.663 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C)CC1 ZINC000343760739 415713229 /nfs/dbraw/zinc/71/32/29/415713229.db2.gz FIFHEZGIVOXHIS-IHRRRGAJSA-N 1 0 323.437 0.777 10 30 DCEERO C=CCNc1ncc(C(=O)N2CCN(CCO)[C@H](C)C2)s1 ZINC000189617078 416269046 /nfs/dbraw/zinc/26/90/46/416269046.db2.gz ICYZMGAADANOOO-LLVKDONJSA-N 1 0 310.423 0.880 10 30 DCEERO C=CCN(C[C@@H](O)COCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000195188000 416325564 /nfs/dbraw/zinc/32/55/64/416325564.db2.gz QROTZZWGNXUSHB-ZIAGYGMSSA-N 1 0 305.440 0.839 10 30 DCEERO C#CCNC(=O)[C@H](C)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195285979 416325713 /nfs/dbraw/zinc/32/57/13/416325713.db2.gz JHRALWATGUCYNM-DOTOQJQBSA-N 1 0 314.433 0.973 10 30 DCEERO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCC[NH3+] ZINC000419833168 416413982 /nfs/dbraw/zinc/41/39/82/416413982.db2.gz OWHYWKOYVAYWTK-UHFFFAOYSA-N 1 0 300.362 0.538 10 30 DCEERO C#CC[NH+]1CCC(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000363079537 416574247 /nfs/dbraw/zinc/57/42/47/416574247.db2.gz BNQULPZNSMOSLL-MRXNPFEDSA-N 1 0 300.406 0.530 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000424553509 416663257 /nfs/dbraw/zinc/66/32/57/416663257.db2.gz ZPTRDAWHSJLZCR-MJBXVCDLSA-N 1 0 309.410 0.327 10 30 DCEERO CCN(CCC#N)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000615079147 416754400 /nfs/dbraw/zinc/75/44/00/416754400.db2.gz QKHGZZGPHRWNAW-UHFFFAOYSA-N 1 0 306.370 0.145 10 30 DCEERO C=C[C@@H]1OCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000516645551 416731596 /nfs/dbraw/zinc/73/15/96/416731596.db2.gz GJNBOQBCPWBQEP-KBPBESRZSA-N 1 0 321.402 0.908 10 30 DCEERO C=CCOCCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376048761 417016207 /nfs/dbraw/zinc/01/62/07/417016207.db2.gz UIYACQQTAVDLTI-UHFFFAOYSA-N 1 0 307.398 1.474 10 30 DCEERO N#C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C1CC1 ZINC000377677771 417063276 /nfs/dbraw/zinc/06/32/76/417063276.db2.gz RZABFEAWNVBTEN-XJKSGUPXSA-N 1 0 317.437 0.852 10 30 DCEERO C=CCN1CC[C@@H](N2CCC(C)([NH+]3CCOCC3)CC2)C1=O ZINC000528726193 417384385 /nfs/dbraw/zinc/38/43/85/417384385.db2.gz AMTAQXQCPSQYGO-OAHLLOKOSA-N 1 0 307.438 0.960 10 30 DCEERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000377917946 276171716 /nfs/dbraw/zinc/17/17/16/276171716.db2.gz SWKIQKTYQDDSSY-CABCVRRESA-N 1 0 305.426 0.852 10 30 DCEERO CCO[C@@H]1C[C@@H](NC(=[NH2+])N2CCO[C@@H](C)C2)C12CCOCC2 ZINC000262483792 276343155 /nfs/dbraw/zinc/34/31/55/276343155.db2.gz SCVMKRCZUQNPOJ-BFHYXJOUSA-N 1 0 311.426 0.996 10 30 DCEERO CC[NH+]=C(NCC1(O)CCCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000153339003 280837498 /nfs/dbraw/zinc/83/74/98/280837498.db2.gz VWLXQZCVUPTELB-OAHLLOKOSA-N 1 0 324.469 0.664 10 30 DCEERO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000262388112 280843719 /nfs/dbraw/zinc/84/37/19/280843719.db2.gz LQMXNNOQFTZITF-OSRDXIQISA-N 1 0 322.453 0.976 10 30 DCEERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C1 ZINC000330133044 336116634 /nfs/dbraw/zinc/11/66/34/336116634.db2.gz QUBBKDCJMBPPAH-IGQOVBAYSA-N 1 0 308.426 0.984 10 30 DCEERO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105885228 337386813 /nfs/dbraw/zinc/38/68/13/337386813.db2.gz FAJJNIOBGYTVRD-SWLSCSKDSA-N 1 0 303.410 0.745 10 30 DCEERO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418828361 337416535 /nfs/dbraw/zinc/41/65/35/337416535.db2.gz MKSPHSPJRBZOHE-APIJFGDWSA-N 1 0 321.421 0.437 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000425893467 338018498 /nfs/dbraw/zinc/01/84/98/338018498.db2.gz XJYAGYRTUTUNQB-RFGFWPKPSA-N 1 0 309.410 0.293 10 30 DCEERO C[C@H]1CN(C(=[NH2+])NCc2nccn2CC(F)(F)F)CCO1 ZINC000262457126 533788765 /nfs/dbraw/zinc/78/87/65/533788765.db2.gz LKFLQRROIHHQOU-VIFPVBQESA-N 1 0 305.304 0.981 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000425875337 534587939 /nfs/dbraw/zinc/58/79/39/534587939.db2.gz SVWVSUQHTVOKFJ-ILXRZTDVSA-N 1 0 323.437 0.684 10 30 DCEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000113305745 525084898 /nfs/dbraw/zinc/08/48/98/525084898.db2.gz OHGFTZYKJYSYJA-DGCLKSJQSA-N 1 0 306.391 0.810 10 30 DCEERO C[NH+]=C(NCC#Cc1ccccc1)N1CCN(C2CC2)C(=O)C1 ZINC000262767541 526344567 /nfs/dbraw/zinc/34/45/67/526344567.db2.gz GPMJIBZZDKUQKG-UHFFFAOYSA-N 1 0 310.401 0.920 10 30 DCEERO C[NH+]=C(NCCNC(=O)C(C)(C)C)N1CCN(C2CC2)C(=O)C1 ZINC000262801035 526359997 /nfs/dbraw/zinc/35/99/97/526359997.db2.gz RBXNKYPQYDAFJD-UHFFFAOYSA-N 1 0 323.441 0.031 10 30 DCEERO C[NH+]=C(NCCNS(C)(=O)=O)N[C@H]1CCc2ccccc2C1 ZINC000262599553 526362032 /nfs/dbraw/zinc/36/20/32/526362032.db2.gz YBDCTSXSTMKWFI-AWEZNQCLSA-N 1 0 324.450 0.258 10 30 DCEERO C[NH+]=C(NCCn1cccn1)N1CCN(Cc2ccon2)CC1 ZINC000152841882 526367489 /nfs/dbraw/zinc/36/74/89/526367489.db2.gz GWSIKRHOPWTRFO-UHFFFAOYSA-N 1 0 317.397 0.264 10 30 DCEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261736213 526394374 /nfs/dbraw/zinc/39/43/74/526394374.db2.gz KCUXIQOKQISPBZ-BDJLRTHQSA-N 1 0 321.425 0.670 10 30 DCEERO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2cscn2)CC1 ZINC000357883415 526578110 /nfs/dbraw/zinc/57/81/10/526578110.db2.gz RGFFYSKTOQHHCG-UHFFFAOYSA-N 1 0 322.434 0.916 10 30 DCEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000253374568 526632384 /nfs/dbraw/zinc/63/23/84/526632384.db2.gz MUAFPQIWWWIVRK-UONOGXRCSA-N 1 0 309.410 0.248 10 30 DCEERO C=CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000248534225 527205361 /nfs/dbraw/zinc/20/53/61/527205361.db2.gz ZPEPUPDSVMXQAX-ZNMIVQPWSA-N 1 0 323.437 0.372 10 30 DCEERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)[C@H](C)CC#N)C1 ZINC000246074067 528011636 /nfs/dbraw/zinc/01/16/36/528011636.db2.gz JBAWQJIUMZLKFO-CABCVRRESA-N 1 0 310.442 0.693 10 30 DCEERO CCN(C[C@H](C)C#N)C(=O)CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247212984 528691766 /nfs/dbraw/zinc/69/17/66/528691766.db2.gz PYTMOEJSFHEKRK-ILXRZTDVSA-N 1 0 310.442 0.381 10 30 DCEERO CC[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@H]1CCC(=O)NC1 ZINC000262768479 528816406 /nfs/dbraw/zinc/81/64/06/528816406.db2.gz HXAHPTUSLJHJRT-NHYWBVRUSA-N 1 0 308.382 0.321 10 30 DCEERO CC(C)NC(=[NH2+])NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000263249041 528967714 /nfs/dbraw/zinc/96/77/14/528967714.db2.gz IRDKNBCABAFBMO-LBPRGKRZSA-N 1 0 316.413 0.653 10 30 DCEERO C=CCN1C(=O)c2ccc(C(=O)N(C)CCC[NH3+])cc2C1=O ZINC000158732116 545857517 /nfs/dbraw/zinc/85/75/17/545857517.db2.gz JDXPPBONMUYJLW-UHFFFAOYSA-N 1 0 301.346 0.889 10 30 DCEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119708471 658214598 /nfs/dbraw/zinc/21/45/98/658214598.db2.gz GLTKFZZMPWTXTH-VXGBXAGGSA-N 1 0 308.403 0.879 10 30 DCEERO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000261633548 661337424 /nfs/dbraw/zinc/33/74/24/661337424.db2.gz JUQSFGLDUMJBIS-MELADBBJSA-N 1 0 311.426 0.637 10 30 DCEERO C[NH+]=C(NCCc1c(C)noc1C)N1CCN(C2CC2)C(=O)C1 ZINC000262759792 662570338 /nfs/dbraw/zinc/57/03/38/662570338.db2.gz FNSXHQGVFMGYMH-UHFFFAOYSA-N 1 0 319.409 0.716 10 30 DCEERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(C#CCO)c3)[C@@H]2C1 ZINC000908097176 663733258 /nfs/dbraw/zinc/73/32/58/663733258.db2.gz OVWUEVDTRNRZBU-SJORKVTESA-N 1 0 314.385 0.576 10 30 DCEERO C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000731128131 664838592 /nfs/dbraw/zinc/83/85/92/664838592.db2.gz WETZPQJLBXNCPB-CQSZACIVSA-N 1 0 315.373 0.848 10 30 DCEERO O=C(NCC[NH2+]Cc1cnn2ccccc12)C1N=CC=CC1=O ZINC000733334873 666491100 /nfs/dbraw/zinc/49/11/00/666491100.db2.gz SPHKMMADWNTJIC-FOCLMDBBSA-N 1 0 311.345 0.950 10 30 DCEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192579545 670183869 /nfs/dbraw/zinc/18/38/69/670183869.db2.gz XBTIWBJXCCKOBN-GHMZBOCLSA-N 1 0 309.391 0.123 10 30 DCEERO O=[N+]([O-])c1ccccc1/C=N/CC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000005897750 181294249 /nfs/dbraw/zinc/29/42/49/181294249.db2.gz HYZMRGOJRBZMRA-ZMTLZGASSA-N 1 0 311.363 0.790 10 30 DCEERO Cc1nnc(CNC(=[NH+]C[C@@H]2CCCO2)N2CCCC2)n1C ZINC000261995949 238169596 /nfs/dbraw/zinc/16/95/96/238169596.db2.gz SIPBHRYAPMPGPT-ZDUSSCGKSA-N 1 0 306.414 0.844 10 30 DCEERO [NH2+]=C(NC[C@@H]1CS(=O)(=O)CCO1)NC1CCCCCC1 ZINC000261980025 238169843 /nfs/dbraw/zinc/16/98/43/238169843.db2.gz HRMAAAQRCFEGJB-GFCCVEGCSA-N 1 0 303.428 0.427 10 30 DCEERO C[C@H](C(=O)N1CCN(C(=O)CC#N)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000408063537 239260947 /nfs/dbraw/zinc/26/09/47/239260947.db2.gz JEKHGENQLVDOMV-HZSPNIEDSA-N 1 0 306.410 0.832 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000425858366 240348488 /nfs/dbraw/zinc/34/84/88/240348488.db2.gz QJYDEGJEGCPNMC-HOTGVXAUSA-N 1 0 324.469 0.856 10 30 DCEERO CC[N@@H+]1CCCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329378812 285206158 /nfs/dbraw/zinc/20/61/58/285206158.db2.gz MQYZJDYWYBTFDZ-QWHCGFSZSA-N 1 0 308.386 0.160 10 30 DCEERO N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCCS3(=O)=O)n2c1 ZINC000131786267 395925551 /nfs/dbraw/zinc/92/55/51/395925551.db2.gz LUDIYAODBGOIBM-ZDUSSCGKSA-N 1 0 304.375 0.873 10 30 DCEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000246791065 395957899 /nfs/dbraw/zinc/95/78/99/395957899.db2.gz ALJGEECQSXHHDV-BXUZGUMPSA-N 1 0 308.407 0.960 10 30 DCEERO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000261614131 396049565 /nfs/dbraw/zinc/04/95/65/396049565.db2.gz ARYQDJALIZPBLM-CMPLNLGQSA-N 1 0 309.391 0.843 10 30 DCEERO CN(CC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000262088771 396098060 /nfs/dbraw/zinc/09/80/60/396098060.db2.gz HUTUNEPVROKUDH-UHFFFAOYSA-N 1 0 303.322 0.334 10 30 DCEERO C=CC[NH+]1CCC(NC(=O)N2CCN(CCOC)[C@H](C)C2)CC1 ZINC000172336185 396130434 /nfs/dbraw/zinc/13/04/34/396130434.db2.gz JNXTTZQQVURMEM-OAHLLOKOSA-N 1 0 324.469 0.999 10 30 DCEERO N#Cc1ccc(N2CC[NH+](CC3(O)CCOCC3)CC2)nc1 ZINC000269372698 396410669 /nfs/dbraw/zinc/41/06/69/396410669.db2.gz MRLMILLJYKGJRH-UHFFFAOYSA-N 1 0 302.378 0.617 10 30 DCEERO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COC[C@@H]2CCCO2)C1=O ZINC000532205740 396599478 /nfs/dbraw/zinc/59/94/78/396599478.db2.gz HTCUAKYDBFKUCA-ILXRZTDVSA-N 1 0 312.410 0.262 10 30 DCEERO C=CCNC(=O)NC(=O)C[NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000595633961 396641208 /nfs/dbraw/zinc/64/12/08/396641208.db2.gz RIYAEFZUNACRCY-YNEHKIRRSA-N 1 0 313.398 0.154 10 30 DCEERO C=CCNC(=O)NC(=O)CN1c2ccccc2CC[C@H]1C[NH3+] ZINC000595903222 396679405 /nfs/dbraw/zinc/67/94/05/396679405.db2.gz MEHOYCLMXWVMKN-ZDUSSCGKSA-N 1 0 302.378 0.778 10 30 DCEERO C=CCCCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612598492 397101447 /nfs/dbraw/zinc/10/14/47/397101447.db2.gz CZGWEZAQBUZGEV-OAHLLOKOSA-N 1 0 323.437 0.781 10 30 DCEERO C=CCCSCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602532198 397432244 /nfs/dbraw/zinc/43/22/44/397432244.db2.gz VVLSGFNJQKZBQH-IBGZPJMESA-N 1 0 304.481 0.913 10 30 DCEERO C=C(C)C[C@H](NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C(=O)OC ZINC000602600545 397446501 /nfs/dbraw/zinc/44/65/01/397446501.db2.gz OMWGMRYIJHOVOP-NEPJUHHUSA-N 1 0 321.381 0.268 10 30 DCEERO C=C(C)C[C@@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)C(=O)OC ZINC000602601220 397446693 /nfs/dbraw/zinc/44/66/93/397446693.db2.gz QYXULQRZNGFDBZ-GFCCVEGCSA-N 1 0 321.381 0.440 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000425887751 397407696 /nfs/dbraw/zinc/40/76/96/397407696.db2.gz RXPHMXMOFUHYAC-SCRDCRAPSA-N 1 0 307.394 0.047 10 30 DCEERO C=CCNC(=O)NC(=O)CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599617947 397487966 /nfs/dbraw/zinc/48/79/66/397487966.db2.gz OFXAJAVUWKSBSE-UHFFFAOYSA-N 1 0 324.425 0.185 10 30 DCEERO C=CCC[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000342719361 415268360 /nfs/dbraw/zinc/26/83/60/415268360.db2.gz ILUBDTUJVDKXTG-UHFFFAOYSA-N 1 0 305.382 0.332 10 30 DCEERO C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892126 415733148 /nfs/dbraw/zinc/73/31/48/415733148.db2.gz IPIROYHHTKRQRY-STQMWFEESA-N 1 0 315.439 0.199 10 30 DCEERO C=CCCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000289376706 415705703 /nfs/dbraw/zinc/70/57/03/415705703.db2.gz KCPOJYVZIPLIBD-ZIAGYGMSSA-N 1 0 311.426 0.636 10 30 DCEERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000155345095 415996506 /nfs/dbraw/zinc/99/65/06/415996506.db2.gz YIIFEFDBZBVABX-OAHLLOKOSA-N 1 0 302.378 0.759 10 30 DCEERO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C#N)n2)[C@H](C)C1 ZINC000302812081 416099711 /nfs/dbraw/zinc/09/97/11/416099711.db2.gz HGOAXJGZDSRLRQ-MNOVXSKESA-N 1 0 305.338 0.753 10 30 DCEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329062724 416146544 /nfs/dbraw/zinc/14/65/44/416146544.db2.gz NZKIUSUXXUEVEP-ZOBORPQBSA-N 1 0 322.413 0.450 10 30 DCEERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1cnc(C#N)n1 ZINC000179719395 416192733 /nfs/dbraw/zinc/19/27/33/416192733.db2.gz OWYGAXSLBCAAMV-ZDUSSCGKSA-N 1 0 312.377 0.786 10 30 DCEERO C=CC[C@@]1(C(=O)Nc2ccn(C(C)(C)C(=O)OC)n2)CCC[NH2+]1 ZINC000595974034 416574854 /nfs/dbraw/zinc/57/48/54/416574854.db2.gz UGDPYPCCXYHUIE-INIZCTEOSA-N 1 0 320.393 1.428 10 30 DCEERO CC[C@@H](CC#N)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000615214065 416786406 /nfs/dbraw/zinc/78/64/06/416786406.db2.gz DOJXMFWPMZSING-NSHDSACASA-N 1 0 306.370 0.192 10 30 DCEERO CC#CCNC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000623822519 416900485 /nfs/dbraw/zinc/90/04/85/416900485.db2.gz NDMVIZCJUKJOFD-HNNXBMFYSA-N 1 0 302.378 0.605 10 30 DCEERO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000616493426 417062129 /nfs/dbraw/zinc/06/21/29/417062129.db2.gz LENUWRZBHZKXOQ-HNNXBMFYSA-N 1 0 323.437 0.781 10 30 DCEERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)n2C)C1 ZINC000448606794 417088091 /nfs/dbraw/zinc/08/80/91/417088091.db2.gz VWZRUORCPRBJNB-AWEZNQCLSA-N 1 0 304.394 0.983 10 30 DCEERO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC([NH2+]CCOC)CC1 ZINC000569700443 417288080 /nfs/dbraw/zinc/28/80/80/417288080.db2.gz RIUYHWHUVYMYEZ-GFCCVEGCSA-N 1 0 312.414 0.087 10 30 DCEERO C=CCN(CCc1ccco1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633097427 417357940 /nfs/dbraw/zinc/35/79/40/417357940.db2.gz GHIQKEKPRNGFCT-ZIAGYGMSSA-N 1 0 319.405 0.890 10 30 DCEERO C=C1CC(C)(C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)C1 ZINC000633106665 417365164 /nfs/dbraw/zinc/36/51/64/417365164.db2.gz OZCSSMWBBUBWOJ-AWEZNQCLSA-N 1 0 323.437 0.638 10 30 DCEERO C=C(C)CNC(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000635108098 417576595 /nfs/dbraw/zinc/57/65/95/417576595.db2.gz KBRFYPSJFMBZTB-UHFFFAOYSA-N 1 0 305.382 0.781 10 30 DCEERO C=CCC[C@H](NC(=O)CN1CC[NH+](CC)CC1)C(=O)OCC ZINC000456627839 417658772 /nfs/dbraw/zinc/65/87/72/417658772.db2.gz NHIPUBLTHUXRLR-AWEZNQCLSA-N 1 0 311.426 0.638 10 30 DCEERO C[C@H](C(=O)Nc1ccnn1CC[NH+](C)C)n1cnc(C#N)n1 ZINC000359501195 267142937 /nfs/dbraw/zinc/14/29/37/267142937.db2.gz QVBXATRNYCHARE-SNVBAGLBSA-N 1 0 302.342 0.108 10 30 DCEERO CS(=O)(=O)C1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCCC1 ZINC000262089453 278103655 /nfs/dbraw/zinc/10/36/55/278103655.db2.gz GSCXNVFQYXUNOV-NSHDSACASA-N 1 0 303.428 0.427 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCCCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262479419 280840192 /nfs/dbraw/zinc/84/01/92/280840192.db2.gz RBNFHMFIMXEBQP-CVEARBPZSA-N 1 0 324.469 0.928 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261727782 280840776 /nfs/dbraw/zinc/84/07/76/280840776.db2.gz JDOJLOHUDRCIFU-ZQIUZPCESA-N 1 0 322.453 0.715 10 30 DCEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N(C)CCC#N ZINC000408233851 288311784 /nfs/dbraw/zinc/31/17/84/288311784.db2.gz YCAWQSXBMFJYOH-QWHCGFSZSA-N 1 0 300.428 0.635 10 30 DCEERO C=CCOC[C@@H]1NC(=O)N(Cc2ccc3c[nH+]cn3c2)C1=O ZINC000557303756 331782046 /nfs/dbraw/zinc/78/20/46/331782046.db2.gz XIPWEYGWAKSNRR-ZDUSSCGKSA-N 1 0 300.318 0.957 10 30 DCEERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C[C@@H]1C ZINC000329783177 336081341 /nfs/dbraw/zinc/08/13/41/336081341.db2.gz OHYZJIBRAZBOTH-DDHJSBNISA-N 1 0 311.426 0.855 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000424541009 337855945 /nfs/dbraw/zinc/85/59/45/337855945.db2.gz GTEBNUSYTSVUID-XUXIUFHCSA-N 1 0 309.410 0.422 10 30 DCEERO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000425910362 338018830 /nfs/dbraw/zinc/01/88/30/338018830.db2.gz VKDLVVUNKJPRAD-ILXRZTDVSA-N 1 0 323.437 0.542 10 30 DCEERO C[C@@H]1CN(C(=[NH2+])NCc2cn(C)nc2C(F)(F)F)CCO1 ZINC000262429463 534272059 /nfs/dbraw/zinc/27/20/59/534272059.db2.gz DNQBQFHSKKHBPJ-MRVPVSSYSA-N 1 0 305.304 0.974 10 30 DCEERO C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1CCO ZINC000187691573 534460674 /nfs/dbraw/zinc/46/06/74/534460674.db2.gz AWUQXAFSSJIVHN-CQSZACIVSA-N 1 0 316.405 0.885 10 30 DCEERO C[NH+]=C(NCC1(O)CCC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261929577 526351895 /nfs/dbraw/zinc/35/18/95/526351895.db2.gz LJOIJZPKVPHFEL-UHFFFAOYSA-N 1 0 310.442 0.808 10 30 DCEERO C[NH+]=C(NCCN1CCC1)N1CCN(Cc2ccon2)CC1 ZINC000261802934 526356563 /nfs/dbraw/zinc/35/65/63/526356563.db2.gz RPOKIEXQMKUOMG-UHFFFAOYSA-N 1 0 306.414 0.073 10 30 DCEERO C[NH+]=C(NCCNC(=O)c1cnccn1)NC1CCCCC1 ZINC000263250555 526360296 /nfs/dbraw/zinc/36/02/96/526360296.db2.gz OPCJUUMEEUFYQE-UHFFFAOYSA-N 1 0 304.398 0.704 10 30 DCEERO C[NH+]=C(NCCn1ccnc1C)N1CC[C@H](N2CCOCC2)C1 ZINC000262493598 526367819 /nfs/dbraw/zinc/36/78/19/526367819.db2.gz VQIKRIHZEVNHDB-HNNXBMFYSA-N 1 0 320.441 0.173 10 30 DCEERO C[NH+]=C(NC[C@@H]1CCC[C@H]1O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261945836 526370023 /nfs/dbraw/zinc/37/00/23/526370023.db2.gz FURCEJOGULEYHJ-NWDGAFQWSA-N 1 0 317.455 0.232 10 30 DCEERO C[NH+]=C(NCc1c(C)nn(C)c1C)N(C)CC(=O)NC(C)(C)C ZINC000119966257 526379246 /nfs/dbraw/zinc/37/92/46/526379246.db2.gz CMQLHADCCQWKLV-UHFFFAOYSA-N 1 0 322.457 0.959 10 30 DCEERO C[NH+]=C(NCc1cccn1C)N1CCN(C(=O)C(C)C)CC1 ZINC000262774557 526384983 /nfs/dbraw/zinc/38/49/83/526384983.db2.gz ITBOILDNBZKXAT-UHFFFAOYSA-N 1 0 305.426 0.901 10 30 DCEERO C[NH+]=C(NCc1nc(C)no1)N1CCN(Cc2ccon2)CC1 ZINC000261654021 526390402 /nfs/dbraw/zinc/39/04/02/526390402.db2.gz AGXXYKKTUDPEDM-UHFFFAOYSA-N 1 0 319.369 0.259 10 30 DCEERO C=CCOCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364283443 526774721 /nfs/dbraw/zinc/77/47/21/526774721.db2.gz ZKANLLDFFGUHHC-INIZCTEOSA-N 1 0 324.469 0.999 10 30 DCEERO C=CCOc1ccc(C[NH2+]CCNS(=O)(=O)N(C)C)cc1 ZINC000362325688 526885779 /nfs/dbraw/zinc/88/57/79/526885779.db2.gz UCMWTMKWYXJKTC-UHFFFAOYSA-N 1 0 313.423 0.737 10 30 DCEERO CC(C)[NH+]=C(NCC(=O)N(C)C)NCc1ccnc2ccnn21 ZINC000262339262 527383357 /nfs/dbraw/zinc/38/33/57/527383357.db2.gz WRFRQGWZRVHOIF-UHFFFAOYSA-N 1 0 317.397 0.261 10 30 DCEERO C#Cc1cccc(NC(=O)CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)c1 ZINC000189214909 527453931 /nfs/dbraw/zinc/45/39/31/527453931.db2.gz BOUGSIFEBNKMNL-UONOGXRCSA-N 1 0 301.346 0.100 10 30 DCEERO CCC(=O)N1CC[C@@H](NC(NCc2cccc(OC)n2)=[NH+]C)C1 ZINC000261949367 528343137 /nfs/dbraw/zinc/34/31/37/528343137.db2.gz GWMAJSRYBBAYIU-CYBMUJFWSA-N 1 0 319.409 0.766 10 30 DCEERO CC[NH+]=C(NC1CCC1)N1CCN(c2nccn(C)c2=O)CC1 ZINC000262802216 528801866 /nfs/dbraw/zinc/80/18/66/528801866.db2.gz RJLATKQTFAYAAU-UHFFFAOYSA-N 1 0 318.425 0.420 10 30 DCEERO CC[NH+]=C(NCC1(O)CCCCC1)N[C@H]1CCc2ncnn2C1 ZINC000153400345 528803430 /nfs/dbraw/zinc/80/34/30/528803430.db2.gz GGRJBFKFTJPLBX-ZDUSSCGKSA-N 1 0 320.441 0.843 10 30 DCEERO CC[NH+]=C(NCCc1ccco1)N[C@@H]1CCc2ncnn2C1 ZINC000154191162 528807820 /nfs/dbraw/zinc/80/78/20/528807820.db2.gz YRDQLDPRCVUMJJ-GFCCVEGCSA-N 1 0 302.382 0.984 10 30 DCEERO CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CC[C@@]2(CCOC2)C1 ZINC000261995936 661949421 /nfs/dbraw/zinc/94/94/21/661949421.db2.gz SIKIMWHJHDRSAU-GDBMZVCRSA-N 1 0 310.442 0.395 10 30 DCEERO CCn1cnnc1CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)=[NH+]C ZINC000158262655 664532534 /nfs/dbraw/zinc/53/25/34/664532534.db2.gz WKDXQGOHNFYHPH-QWHCGFSZSA-N 1 0 307.446 0.692 10 30 DCEERO CS(=O)(=O)N1CC[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000133862587 667487889 /nfs/dbraw/zinc/48/78/89/667487889.db2.gz JZMXWVFHAOUMBE-NSHDSACASA-N 1 0 302.444 0.505 10 30 DCEERO Cn1cnnc1C[C@@]1(O)CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000886089075 667730861 /nfs/dbraw/zinc/73/08/61/667730861.db2.gz VJSWYFLJKRULOW-HNNXBMFYSA-N 1 0 301.350 0.849 10 30 DCEERO C#CCC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)CC)CC1 ZINC000740736074 667750752 /nfs/dbraw/zinc/75/07/52/667750752.db2.gz CFIFZXNXJCPOJU-CQSZACIVSA-N 1 0 323.462 0.902 10 30 DCEERO CC(=O)N1CCN(CCNC(=[NH2+])Nc2cccc(C)c2)CC1 ZINC000303897266 685208443 /nfs/dbraw/zinc/20/84/43/685208443.db2.gz QKIZDHADBQZQTI-UHFFFAOYSA-N 1 0 303.410 0.886 10 30 DCEERO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC000329572862 1158124728 /nfs/dbraw/zinc/12/47/28/1158124728.db2.gz NDIWFWHBGCXKEH-OBJOEFQTSA-N 1 0 308.426 0.984 10 30 DCEERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N+]12CCN(CC1)CC2 ZINC000006160496 717104807 /nfs/dbraw/zinc/10/48/07/717104807.db2.gz UPENMFCWTMZYAQ-UHFFFAOYSA-O 1 0 321.357 0.688 10 30 DCEERO CNC(=O)c1cccc(NC(=O)[C@H](C)[N+]23CCN(CC2)CC3)c1 ZINC000029226246 717117277 /nfs/dbraw/zinc/11/72/77/717117277.db2.gz PZEJMONCNOKONZ-ZDUSSCGKSA-O 1 0 317.413 0.519 10 30 DCEERO COc1cccc(CNC(=O)[C@H](C)[N+]23CCN(CC2)CC3)c1 ZINC000029226874 717117878 /nfs/dbraw/zinc/11/78/78/717117878.db2.gz QAJQGKOWNIJJLL-AWEZNQCLSA-O 1 0 304.414 0.846 10 30 DCEERO