smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(C#N)c(=O)n(C)c1=O ZINC000052161205 482958078 /nfs/dbraw/zinc/95/80/78/482958078.db2.gz RKBKXHKMMXGSRQ-UHFFFAOYSA-N 1 1 374.445 -1.054 20 30 FAEDMO C#CCC[NH+]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000064443493 483692942 /nfs/dbraw/zinc/69/29/42/483692942.db2.gz XYUJXIWGZLZJSB-UHFFFAOYSA-N 1 1 358.402 -1.399 20 30 FAEDMO Cn1c(N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)c(C#N)c(=O)n(C)c1=O ZINC000076924477 482673883 /nfs/dbraw/zinc/67/38/83/482673883.db2.gz ZFYWATAVWWKQBK-ZDUSSCGKSA-N 1 1 374.445 -1.054 20 30 FAEDMO Cn1c(N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)c(C#N)c(=O)n(C)c1=O ZINC000076924480 482673404 /nfs/dbraw/zinc/67/34/04/482673404.db2.gz ZFYWATAVWWKQBK-CYBMUJFWSA-N 1 1 374.445 -1.054 20 30 FAEDMO Cn1c(=O)c(C#N)c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n(C)c1=O ZINC000151615010 483132015 /nfs/dbraw/zinc/13/20/15/483132015.db2.gz PARWXBNISQDECD-ZDUSSCGKSA-N 1 1 360.418 -1.302 20 30 FAEDMO Cn1c(=O)c(C#N)c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n(C)c1=O ZINC000151615094 483132322 /nfs/dbraw/zinc/13/23/22/483132322.db2.gz PARWXBNISQDECD-CYBMUJFWSA-N 1 1 360.418 -1.302 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)C1=O ZINC000261655808 483308378 /nfs/dbraw/zinc/30/83/78/483308378.db2.gz DQZHPGABOYBMIE-LLVKDONJSA-N 1 1 360.374 -1.130 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH2+]C[C@H]2c2nccn2C)C1=O ZINC000261655812 483308004 /nfs/dbraw/zinc/30/80/04/483308004.db2.gz DQZHPGABOYBMIE-NSHDSACASA-N 1 1 360.374 -1.130 20 30 FAEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261671920 657843567 /nfs/dbraw/zinc/84/35/67/657843567.db2.gz GUOXFWJVHFGEMJ-AWEZNQCLSA-N 1 1 351.499 -1.557 20 30 FAEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261671924 657843637 /nfs/dbraw/zinc/84/36/37/657843637.db2.gz GUOXFWJVHFGEMJ-CQSZACIVSA-N 1 1 351.499 -1.557 20 30 FAEDMO C[NH+]=C(NC[C@H]1CN(C)CCN1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261723717 482965499 /nfs/dbraw/zinc/96/54/99/482965499.db2.gz KYRBLEMQQOMEFS-AWEZNQCLSA-N 1 1 362.482 -1.110 20 30 FAEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261723724 482965142 /nfs/dbraw/zinc/96/51/42/482965142.db2.gz KYRBLEMQQOMEFS-CQSZACIVSA-N 1 1 362.482 -1.110 20 30 FAEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261844768 482965588 /nfs/dbraw/zinc/96/55/88/482965588.db2.gz WTKJUESJJJIMHM-AWEZNQCLSA-N 1 1 360.466 -1.356 20 30 FAEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261844771 482964505 /nfs/dbraw/zinc/96/45/05/482964505.db2.gz WTKJUESJJJIMHM-CQSZACIVSA-N 1 1 360.466 -1.356 20 30 FAEDMO CN(C)C(=O)CNC(NC[C@H]1CN2CCN1CC2)=[NH+]C1CCOCC1 ZINC000261879136 657854579 /nfs/dbraw/zinc/85/45/79/657854579.db2.gz TZFXCSPMXOMFAF-HNNXBMFYSA-N 1 1 352.483 -1.211 20 30 FAEDMO CN(C)C(=O)CNC(NC[C@@H]1CN2CCN1CC2)=[NH+]C1CCOCC1 ZINC000261879137 657854288 /nfs/dbraw/zinc/85/42/88/657854288.db2.gz TZFXCSPMXOMFAF-OAHLLOKOSA-N 1 1 352.483 -1.211 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)C1=O ZINC000264292682 483312275 /nfs/dbraw/zinc/31/22/75/483312275.db2.gz QASJAUIRLAAYSY-UHFFFAOYSA-N 1 1 351.407 -1.283 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1=O ZINC000264437348 483312745 /nfs/dbraw/zinc/31/27/45/483312745.db2.gz NGXLGIDRMNEFSF-GFCCVEGCSA-N 1 1 351.407 -1.285 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1=O ZINC000264437351 483312376 /nfs/dbraw/zinc/31/23/76/483312376.db2.gz NGXLGIDRMNEFSF-LBPRGKRZSA-N 1 1 351.407 -1.285 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1=O ZINC000264574217 483311836 /nfs/dbraw/zinc/31/18/36/483311836.db2.gz SRPROFXMFMBBFV-LLVKDONJSA-N 1 1 365.390 -1.581 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1=O ZINC000264574218 483312195 /nfs/dbraw/zinc/31/21/95/483312195.db2.gz SRPROFXMFMBBFV-NSHDSACASA-N 1 1 365.390 -1.581 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000264947999 483312664 /nfs/dbraw/zinc/31/26/64/483312664.db2.gz APLITNLKNIZIJX-UHFFFAOYSA-N 1 1 365.390 -1.757 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000264995075 483312161 /nfs/dbraw/zinc/31/21/61/483312161.db2.gz NSTKOMXJSJDQCX-CYBMUJFWSA-N 1 1 365.434 -1.037 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000264995077 483311945 /nfs/dbraw/zinc/31/19/45/483311945.db2.gz NSTKOMXJSJDQCX-ZDUSSCGKSA-N 1 1 365.434 -1.037 20 30 FAEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000265505202 483311925 /nfs/dbraw/zinc/31/19/25/483311925.db2.gz YQQWNTCUQBULNK-AVGNSLFASA-N 1 1 374.463 -1.526 20 30 FAEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000265505205 483312069 /nfs/dbraw/zinc/31/20/69/483312069.db2.gz YQQWNTCUQBULNK-RWMBFGLXSA-N 1 1 374.463 -1.526 20 30 FAEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000265505208 483312460 /nfs/dbraw/zinc/31/24/60/483312460.db2.gz YQQWNTCUQBULNK-XQQFMLRXSA-N 1 1 374.463 -1.526 20 30 FAEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000265505212 483312511 /nfs/dbraw/zinc/31/25/11/483312511.db2.gz YQQWNTCUQBULNK-YNEHKIRRSA-N 1 1 374.463 -1.526 20 30 FAEDMO C#CCC[NH+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000266791888 483312329 /nfs/dbraw/zinc/31/23/29/483312329.db2.gz CJNLGAKWTPIGMW-UHFFFAOYSA-N 1 1 367.431 -1.441 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)C1=O ZINC000275288145 483314325 /nfs/dbraw/zinc/31/43/25/483314325.db2.gz WRIQBTRHLBPMSH-NEPJUHHUSA-N 1 1 352.391 -1.123 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)C1=O ZINC000275288149 483314394 /nfs/dbraw/zinc/31/43/94/483314394.db2.gz WRIQBTRHLBPMSH-NWDGAFQWSA-N 1 1 352.391 -1.123 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)C1=O ZINC000275288152 483315188 /nfs/dbraw/zinc/31/51/88/483315188.db2.gz WRIQBTRHLBPMSH-RYUDHWBXSA-N 1 1 352.391 -1.123 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)C1=O ZINC000275288155 483314851 /nfs/dbraw/zinc/31/48/51/483314851.db2.gz WRIQBTRHLBPMSH-VXGBXAGGSA-N 1 1 352.391 -1.123 20 30 FAEDMO C=CCn1c(=O)n(CC=C)c(=O)n(CCC(=O)N2CC[NH+](C)CC2)c1=O ZINC000286760250 483127504 /nfs/dbraw/zinc/12/75/04/483127504.db2.gz XLZLUWTUESAWNI-UHFFFAOYSA-N 1 1 363.418 -1.292 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCCCN(C)CC[NH+](C)C)C1=O ZINC000288779898 483126929 /nfs/dbraw/zinc/12/69/29/483126929.db2.gz WEDBJZFMFKGDHG-UHFFFAOYSA-N 1 1 353.423 -1.037 20 30 FAEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCCC[N@H+](C)CCN(C)C)C1=O ZINC000288779898 483126922 /nfs/dbraw/zinc/12/69/22/483126922.db2.gz WEDBJZFMFKGDHG-UHFFFAOYSA-N 1 1 353.423 -1.037 20 30 FAEDMO C#CC[N@@H+](C)CCCNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000293932292 483083269 /nfs/dbraw/zinc/08/32/69/483083269.db2.gz HZHUIOORSQONHZ-UHFFFAOYSA-N 1 1 355.420 -1.537 20 30 FAEDMO C#CC[N@H+](C)CCCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000294053158 483128803 /nfs/dbraw/zinc/12/88/03/483128803.db2.gz ULLPWNDPTUJLMQ-UHFFFAOYSA-N 1 1 360.418 -1.105 20 30 FAEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)C1 ZINC000295071468 483287426 /nfs/dbraw/zinc/28/74/26/483287426.db2.gz ZVZIWMHTTLCZKC-AWEZNQCLSA-N 1 1 363.418 -1.108 20 30 FAEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)C1 ZINC000295071472 483288043 /nfs/dbraw/zinc/28/80/43/483288043.db2.gz ZVZIWMHTTLCZKC-CQSZACIVSA-N 1 1 363.418 -1.108 20 30 FAEDMO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000299206748 483698472 /nfs/dbraw/zinc/69/84/72/483698472.db2.gz AJCNDOMMZUQGQI-UHFFFAOYSA-N 1 1 352.416 -1.027 20 30 FAEDMO C#CCC[NH+]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000299292707 482567274 /nfs/dbraw/zinc/56/72/74/482567274.db2.gz BDNMWGZEUBWUFG-UHFFFAOYSA-N 1 1 358.402 -1.399 20 30 FAEDMO C#CCC[NH+]1CCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000299359081 482567670 /nfs/dbraw/zinc/56/76/70/482567670.db2.gz YBYQCZGLUKFGPV-UHFFFAOYSA-N 1 1 372.429 -1.009 20 30 FAEDMO Cn1c(=O)c(C#N)c(N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)n(C)c1=O ZINC000301232861 483698749 /nfs/dbraw/zinc/69/87/49/483698749.db2.gz BOKNUHSXWPDMTK-CYBMUJFWSA-N 1 1 360.418 -1.302 20 30 FAEDMO Cn1c(=O)c(C#N)c(N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)n(C)c1=O ZINC000301232864 483698521 /nfs/dbraw/zinc/69/85/21/483698521.db2.gz BOKNUHSXWPDMTK-ZDUSSCGKSA-N 1 1 360.418 -1.302 20 30 FAEDMO COCC(=O)N1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000328783528 657255705 /nfs/dbraw/zinc/25/57/05/657255705.db2.gz JZEXEWNZFTVJBF-UHFFFAOYSA-N 1 1 355.439 -1.145 20 30 FAEDMO CN1C(=O)N[C@]2(CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC000329233828 483146827 /nfs/dbraw/zinc/14/68/27/483146827.db2.gz HEXQCGBZXZLNCE-INIZCTEOSA-N 1 1 366.422 -1.105 20 30 FAEDMO CN1C(=O)N[C@@]2(CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC000329233829 483147892 /nfs/dbraw/zinc/14/78/92/483147892.db2.gz HEXQCGBZXZLNCE-MRXNPFEDSA-N 1 1 366.422 -1.105 20 30 FAEDMO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c(=O)n2C ZINC000329480317 483151693 /nfs/dbraw/zinc/15/16/93/483151693.db2.gz PFQSIFNZFTXIOG-LLVKDONJSA-N 1 1 363.422 -1.364 20 30 FAEDMO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c(=O)n2C ZINC000329480319 483151104 /nfs/dbraw/zinc/15/11/04/483151104.db2.gz PFQSIFNZFTXIOG-NSHDSACASA-N 1 1 363.422 -1.364 20 30 FAEDMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@H]1CCC[N@H+]1C)C2 ZINC000329800848 483157484 /nfs/dbraw/zinc/15/74/84/483157484.db2.gz JBFNMHUPVSOIFT-GFCCVEGCSA-N 1 1 365.438 -1.043 20 30 FAEDMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@@H]1CCC[N@H+]1C)C2 ZINC000329800850 483157897 /nfs/dbraw/zinc/15/78/97/483157897.db2.gz JBFNMHUPVSOIFT-LBPRGKRZSA-N 1 1 365.438 -1.043 20 30 FAEDMO O=C(Cn1cnnn1)N1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330268344 483161815 /nfs/dbraw/zinc/16/18/15/483161815.db2.gz IPEMKNATDCLONB-GFCCVEGCSA-N 1 1 359.394 -1.057 20 30 FAEDMO O=C(Cn1cnnn1)N1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330268347 483161503 /nfs/dbraw/zinc/16/15/03/483161503.db2.gz IPEMKNATDCLONB-LBPRGKRZSA-N 1 1 359.394 -1.057 20 30 FAEDMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)COC)CC2)CC1 ZINC000330391022 483110854 /nfs/dbraw/zinc/11/08/54/483110854.db2.gz ZRNOQKLOIIVCNS-UHFFFAOYSA-N 1 1 355.439 -1.099 20 30 FAEDMO CNC(=O)NCC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000330498323 483113721 /nfs/dbraw/zinc/11/37/21/483113721.db2.gz AKCYDOSWCRWFPI-UHFFFAOYSA-N 1 1 368.482 -1.183 20 30 FAEDMO CN(C)C(=O)NCC[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000330619053 483115074 /nfs/dbraw/zinc/11/50/74/483115074.db2.gz ICQFXJYRIGYYEL-UHFFFAOYSA-N 1 1 351.411 -1.159 20 30 FAEDMO CNC(=O)NC(=O)CC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000330632031 483114945 /nfs/dbraw/zinc/11/49/45/483114945.db2.gz HDKNVFUCOPMJPZ-UHFFFAOYSA-N 1 1 353.379 -1.670 20 30 FAEDMO 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N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001111986605 792664348 /nfs/dbraw/zinc/66/43/48/792664348.db2.gz RMXSMDQVKKYDNH-ZOWXZIJZSA-N 1 1 369.447 -1.711 20 30 FAEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001111986605 792664345 /nfs/dbraw/zinc/66/43/45/792664345.db2.gz RMXSMDQVKKYDNH-ZOWXZIJZSA-N 1 1 369.447 -1.711 20 30 FAEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC)C1 ZINC001111988297 789663925 /nfs/dbraw/zinc/66/39/25/789663925.db2.gz BALCCLSSPKXQOO-WWGRRREGSA-N 1 1 370.475 -1.356 20 30 FAEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC)C1 ZINC001111988297 789663919 /nfs/dbraw/zinc/66/39/19/789663919.db2.gz BALCCLSSPKXQOO-WWGRRREGSA-N 1 1 370.475 -1.356 20 30 FAEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC)C1 ZINC001111988298 789664139 /nfs/dbraw/zinc/66/41/39/789664139.db2.gz BALCCLSSPKXQOO-XEZPLFJOSA-N 1 1 370.475 -1.356 20 30 FAEDMO 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BPFBWIKWEGWOCN-GMTAPVOTSA-N 1 1 360.336 -1.007 20 30 FAEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C(F)(F)F ZINC001112066875 789668054 /nfs/dbraw/zinc/66/80/54/789668054.db2.gz KDQWEVQFFIMUPM-OPRDCNLKSA-N 1 1 361.324 -1.116 20 30 FAEDMO C#CCNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001112085521 792665498 /nfs/dbraw/zinc/66/54/98/792665498.db2.gz AEEOEMHWMPOCCU-GMTAPVOTSA-N 1 1 360.336 -1.007 20 30 FAEDMO C#CCNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001112085522 792665535 /nfs/dbraw/zinc/66/55/35/792665535.db2.gz AEEOEMHWMPOCCU-OUAUKWLOSA-N 1 1 360.336 -1.007 20 30 FAEDMO C[C@H](NC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112087569 792665405 /nfs/dbraw/zinc/66/54/05/792665405.db2.gz KEFBDDLFJHSURU-DJLDLDEBSA-N 1 1 364.328 -1.338 20 30 FAEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C(F)(F)F ZINC001112089666 792665251 /nfs/dbraw/zinc/66/52/51/792665251.db2.gz RZIXKAGDCNBRNJ-IVZWLZJFSA-N 1 1 363.340 -1.229 20 30 FAEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C(F)(F)F ZINC001112092694 792665450 /nfs/dbraw/zinc/66/54/50/792665450.db2.gz KNEHUQCTIRZTEG-BBBLOLIVSA-N 1 1 362.308 -1.177 20 30 FAEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C(F)(F)F ZINC001112092695 792665600 /nfs/dbraw/zinc/66/56/00/792665600.db2.gz KNEHUQCTIRZTEG-OPRDCNLKSA-N 1 1 362.308 -1.177 20 30 FAEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(F)(F)F ZINC001112102447 792665441 /nfs/dbraw/zinc/66/54/41/792665441.db2.gz JKNKRMRWQVTXKC-NXEZZACHSA-N 1 1 359.312 -1.599 20 30 FAEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(F)(F)F ZINC001112103645 792665285 /nfs/dbraw/zinc/66/52/85/792665285.db2.gz SBSCTSTVHSTOCT-RKDXNWHRSA-N 1 1 360.300 -1.708 20 30 FAEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(F)(F)F ZINC001112103712 792665626 /nfs/dbraw/zinc/66/56/26/792665626.db2.gz WSWYBYJQHPJYBX-NXEZZACHSA-N 1 1 361.328 -1.046 20 30 FAEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C(F)(F)F ZINC001112107858 792665515 /nfs/dbraw/zinc/66/55/15/792665515.db2.gz QCESSFORNDTHGN-NXEZZACHSA-N 1 1 359.312 -1.103 20 30 FAEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C(F)(F)F ZINC001112111239 792666860 /nfs/dbraw/zinc/66/68/60/792666860.db2.gz MYKBALIFBQLQQK-NXEZZACHSA-N 1 1 363.340 -1.356 20 30 FAEDMO CNC(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112111415 792666411 /nfs/dbraw/zinc/66/64/11/792666411.db2.gz VREAGFYMHCXUKC-RKDXNWHRSA-N 1 1 364.328 -1.466 20 30 FAEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C(F)(F)F ZINC001112141958 792666480 /nfs/dbraw/zinc/66/64/80/792666480.db2.gz GSGUFMGWCZBCAX-GMTAPVOTSA-N 1 1 360.336 -1.149 20 30 FAEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C(F)(F)F ZINC001112141959 792666351 /nfs/dbraw/zinc/66/63/51/792666351.db2.gz GSGUFMGWCZBCAX-HBNTYKKESA-N 1 1 360.336 -1.149 20 30 FAEDMO 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N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C(F)(F)F ZINC001112191952 792667565 /nfs/dbraw/zinc/66/75/65/792667565.db2.gz BSYOJXWOOPGFJF-RKDXNWHRSA-N 1 1 359.312 -1.034 20 30 FAEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C(F)(F)F ZINC001112194983 792667862 /nfs/dbraw/zinc/66/78/62/792667862.db2.gz BPFBWIKWEGWOCN-OUAUKWLOSA-N 1 1 360.336 -1.007 20 30 FAEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C(F)(F)F ZINC001112195139 790374392 /nfs/dbraw/zinc/37/43/92/790374392.db2.gz KDQWEVQFFIMUPM-KXUCPTDWSA-N 1 1 361.324 -1.116 20 30 FAEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C(F)(F)F ZINC001112203665 790376453 /nfs/dbraw/zinc/37/64/53/790376453.db2.gz CZZUFIWZMYUVQO-NXEZZACHSA-N 1 1 359.312 -1.103 20 30 FAEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C(F)(F)F ZINC001112204791 792667891 /nfs/dbraw/zinc/66/78/91/792667891.db2.gz LHQRVBFYPMQNKM-RKDXNWHRSA-N 1 1 364.328 -1.337 20 30 FAEDMO 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