smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189138282 201046428 /nfs/dbraw/zinc/04/64/28/201046428.db2.gz DJDAZCLHHADARD-BEFAXECRSA-N 1 2 327.428 3.278 10 30 EGEELO CCOc1ccc(C#N)cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267431490 251050698 /nfs/dbraw/zinc/05/06/98/251050698.db2.gz GYLUBHHINIOWTO-UHFFFAOYSA-N 1 2 339.399 3.092 10 30 EGEELO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029907742 140796769 /nfs/dbraw/zinc/79/67/69/140796769.db2.gz KGWHTBFLGBNROT-AWEZNQCLSA-N 1 2 332.363 3.150 10 30 EGEELO N#Cc1ccccc1-c1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000193748006 153303251 /nfs/dbraw/zinc/30/32/51/153303251.db2.gz OSAYKYYMYWWUQE-UHFFFAOYSA-N 1 2 330.391 3.197 10 30 EGEELO N#Cc1ccccc1-c1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000193748006 153303255 /nfs/dbraw/zinc/30/32/55/153303255.db2.gz OSAYKYYMYWWUQE-UHFFFAOYSA-N 1 2 330.391 3.197 10 30 EGEELO C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@H](c2ccsc2)O1 ZINC000093768878 162025487 /nfs/dbraw/zinc/02/54/87/162025487.db2.gz BQYUHZXLUXYKEG-SUMWQHHRSA-N 1 2 338.436 3.229 10 30 EGEELO C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000337030267 163109879 /nfs/dbraw/zinc/10/98/79/163109879.db2.gz XWRLQQCXTMJRLG-BXUZGUMPSA-N 1 2 335.333 3.256 10 30 EGEELO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ncc(Br)cn1 ZINC000340426820 287071340 /nfs/dbraw/zinc/07/13/40/287071340.db2.gz QMPJMQHRWGBDLO-BMIGLBTASA-N 1 2 343.228 3.449 10 30 EGEELO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000350174976 165015747 /nfs/dbraw/zinc/01/57/47/165015747.db2.gz FDAMHIOBZVEILS-SFHVURJKSA-N 1 2 334.379 3.248 10 30 EGEELO N#Cc1csc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)n1 ZINC000356405941 166422713 /nfs/dbraw/zinc/42/27/13/166422713.db2.gz DLRFCUOOYFNMFN-UHFFFAOYSA-N 1 2 349.463 3.012 10 30 EGEELO Cc1cn2cc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)ccc2[nH+]1 ZINC000360395267 167319999 /nfs/dbraw/zinc/31/99/99/167319999.db2.gz IHWNEIDLIDXQDX-UHFFFAOYSA-N 1 2 334.379 3.311 10 30 EGEELO CCOC(=O)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C(C)(C)C ZINC000431378369 267118057 /nfs/dbraw/zinc/11/80/57/267118057.db2.gz SFDMYVGPIJJADA-UHFFFAOYSA-N 1 2 340.370 3.323 10 30 EGEELO CCOC(=O)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C(C)(C)C ZINC000431378369 267118058 /nfs/dbraw/zinc/11/80/58/267118058.db2.gz SFDMYVGPIJJADA-UHFFFAOYSA-N 1 2 340.370 3.323 10 30 EGEELO Cc1[nH+]c2cc(NC(=O)[C@@H](C)Oc3ccccc3C#N)ccc2n1C ZINC000525217466 268079275 /nfs/dbraw/zinc/07/92/75/268079275.db2.gz QTLYKBMDMFXJFM-GFCCVEGCSA-N 1 2 334.379 3.159 10 30 EGEELO N#Cc1cnc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000450233725 268312341 /nfs/dbraw/zinc/31/23/41/268312341.db2.gz PPRUHNITOPGCOZ-UHFFFAOYSA-N 1 2 348.366 3.122 10 30 EGEELO CCc1ccc(C[NH+]2CCN(C(=O)c3sccc3C#N)CC2)s1 ZINC000128637876 307603707 /nfs/dbraw/zinc/60/37/07/307603707.db2.gz WIXDLFIAPDSHSR-UHFFFAOYSA-N 1 2 345.493 3.202 10 30 EGEELO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1F ZINC000248881931 308014236 /nfs/dbraw/zinc/01/42/36/308014236.db2.gz PRWSTHZPZWKLRS-KSSFIOAISA-N 1 2 332.325 3.283 10 30 EGEELO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1F ZINC000248881931 308014238 /nfs/dbraw/zinc/01/42/38/308014238.db2.gz PRWSTHZPZWKLRS-KSSFIOAISA-N 1 2 332.325 3.283 10 30 EGEELO N#Cc1c(NCc2ccc[nH+]c2N2CCOCC2)cccc1C(F)F ZINC000570764471 317103285 /nfs/dbraw/zinc/10/32/85/317103285.db2.gz OARQKWWBAVLDHE-UHFFFAOYSA-N 1 2 344.365 3.340 10 30 EGEELO CC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1nccs1 ZINC000185112959 323688686 /nfs/dbraw/zinc/68/86/86/323688686.db2.gz QPNOJHJVSWKLML-LBPRGKRZSA-N 1 2 334.470 3.373 10 30 EGEELO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000579255086 325085798 /nfs/dbraw/zinc/08/57/98/325085798.db2.gz MHIXONAHPMLDDI-PZJWPPBQSA-N 1 2 349.409 3.234 10 30 EGEELO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000579255086 325085800 /nfs/dbraw/zinc/08/58/00/325085800.db2.gz MHIXONAHPMLDDI-PZJWPPBQSA-N 1 2 349.409 3.234 10 30 EGEELO C=C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000339081244 456931344 /nfs/dbraw/zinc/93/13/44/456931344.db2.gz QKOJFHMSWXWTEU-VQISRLSMSA-N 1 2 325.815 3.098 10 30 EGEELO Cc1ccnn1-c1ccccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000183223807 455254303 /nfs/dbraw/zinc/25/43/03/455254303.db2.gz ILPRARYVMBHMOO-UHFFFAOYSA-N 1 2 328.379 3.312 10 30 EGEELO Cc1nc(CC(N)=[NH+]OCC(=O)Nc2ccc(C(C)C)cc2)cs1 ZINC000067953724 453983963 /nfs/dbraw/zinc/98/39/63/453983963.db2.gz JSKIKRAZQYWYHH-UHFFFAOYSA-N 1 2 346.456 3.045 10 30 EGEELO Cn1cc[nH+]c1-c1cccc(NC(=O)NCc2ccc(C#N)cc2F)c1 ZINC000077447060 454106767 /nfs/dbraw/zinc/10/67/67/454106767.db2.gz SDKPQBSVSDCPID-UHFFFAOYSA-N 1 2 349.369 3.420 10 30 EGEELO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000057753067 454145297 /nfs/dbraw/zinc/14/52/97/454145297.db2.gz YCAGQKFBTNHJEY-CYBMUJFWSA-N 1 2 328.366 3.115 10 30 EGEELO CNC(=O)c1ccc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000071916324 454256292 /nfs/dbraw/zinc/25/62/92/454256292.db2.gz YKSAILVFRZBHNQ-NYYWCZLTSA-N 1 2 331.375 3.128 10 30 EGEELO CC(C)COC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000097504780 454439551 /nfs/dbraw/zinc/43/95/51/454439551.db2.gz WWFVWKDVCUUPTJ-UHFFFAOYSA-N 1 2 349.862 3.287 10 30 EGEELO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1Cl ZINC000122157729 454511699 /nfs/dbraw/zinc/51/16/99/454511699.db2.gz SSCWDMJOVXUZGG-MRXNPFEDSA-N 1 2 347.846 3.002 10 30 EGEELO C=CCOc1ccc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1Cl ZINC000122157729 454511702 /nfs/dbraw/zinc/51/17/02/454511702.db2.gz SSCWDMJOVXUZGG-MRXNPFEDSA-N 1 2 347.846 3.002 10 30 EGEELO C[C@@H]1CN(c2ccc(CNc3cccc(F)c3C#N)c[nH+]2)C[C@@H](C)O1 ZINC000052218864 454662878 /nfs/dbraw/zinc/66/28/78/454662878.db2.gz XGGOPKPYWISLLR-ZIAGYGMSSA-N 1 2 340.402 3.318 10 30 EGEELO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000093273747 454698169 /nfs/dbraw/zinc/69/81/69/454698169.db2.gz NROAULDOLWGPGS-LJQANCHMSA-N 1 2 338.407 3.290 10 30 EGEELO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000093273747 454698170 /nfs/dbraw/zinc/69/81/70/454698170.db2.gz NROAULDOLWGPGS-LJQANCHMSA-N 1 2 338.407 3.290 10 30 EGEELO C=CCN(CC=C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000111882476 454877611 /nfs/dbraw/zinc/87/76/11/454877611.db2.gz JPHXZGFLUGGHPN-OAHLLOKOSA-N 1 2 349.425 3.313 10 30 EGEELO C=CCN(CC=C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000111882476 454877615 /nfs/dbraw/zinc/87/76/15/454877615.db2.gz JPHXZGFLUGGHPN-OAHLLOKOSA-N 1 2 349.425 3.313 10 30 EGEELO COc1cccc([C@H]2C[N@H+](CCOc3ccccc3C#N)CCO2)c1 ZINC000167615071 454921742 /nfs/dbraw/zinc/92/17/42/454921742.db2.gz USPNIUTZLMPGEM-HXUWFJFHSA-N 1 2 338.407 3.019 10 30 EGEELO COc1cccc([C@H]2C[N@@H+](CCOc3ccccc3C#N)CCO2)c1 ZINC000167615071 454921746 /nfs/dbraw/zinc/92/17/46/454921746.db2.gz USPNIUTZLMPGEM-HXUWFJFHSA-N 1 2 338.407 3.019 10 30 EGEELO CC(C)(C#N)CCCS(=O)(=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000178159492 454939497 /nfs/dbraw/zinc/93/94/97/454939497.db2.gz CRIDOXXLZABELO-UHFFFAOYSA-N 1 2 345.468 3.176 10 30 EGEELO N#CCCCCS(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000127374278 454959165 /nfs/dbraw/zinc/95/91/65/454959165.db2.gz IAUOOYITQBCIGD-UHFFFAOYSA-N 1 2 329.425 3.112 10 30 EGEELO CC(C)c1nc([C@@H]2CCCN2Cc2c[nH+]c3ccc(C#N)cn23)no1 ZINC000127797373 454998499 /nfs/dbraw/zinc/99/84/99/454998499.db2.gz SJPLVIMQWOIGOC-HNNXBMFYSA-N 1 2 336.399 3.049 10 30 EGEELO Cc1csc([C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)CCO2)n1 ZINC000155939665 455064759 /nfs/dbraw/zinc/06/47/59/455064759.db2.gz SAXKMUUMRZYVGA-KRWDZBQOSA-N 1 2 343.452 3.166 10 30 EGEELO Cc1csc([C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CCO2)n1 ZINC000155939665 455064762 /nfs/dbraw/zinc/06/47/62/455064762.db2.gz SAXKMUUMRZYVGA-KRWDZBQOSA-N 1 2 343.452 3.166 10 30 EGEELO C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1[nH+]ccc(OC)c1OC ZINC000190458002 455322089 /nfs/dbraw/zinc/32/20/89/455322089.db2.gz KFHFBECJWZNTHC-UHFFFAOYSA-N 1 2 343.383 3.195 10 30 EGEELO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc2c(c1)OCO2 ZINC000182268912 455476596 /nfs/dbraw/zinc/47/65/96/455476596.db2.gz MMEUQUIGZBTBAM-GFCCVEGCSA-N 1 2 348.362 3.188 10 30 EGEELO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000246545917 455506463 /nfs/dbraw/zinc/50/64/63/455506463.db2.gz CWPWMHNCVWKJMP-CRAIPNDOSA-N 1 2 334.435 3.012 10 30 EGEELO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000246545917 455506465 /nfs/dbraw/zinc/50/64/65/455506465.db2.gz CWPWMHNCVWKJMP-CRAIPNDOSA-N 1 2 334.435 3.012 10 30 EGEELO C=CCCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000279556018 455868212 /nfs/dbraw/zinc/86/82/12/455868212.db2.gz NBVUXCNKTCXKTK-UHFFFAOYSA-N 1 2 330.476 3.296 10 30 EGEELO C=CC[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000187867226 455962643 /nfs/dbraw/zinc/96/26/43/455962643.db2.gz HVYJEIAZVHUSAU-SFHVURJKSA-N 1 2 332.407 3.243 10 30 EGEELO CC1(C#N)CC[NH+](CC(=O)N(Cc2ccco2)c2ccccc2)CC1 ZINC000272621992 456017508 /nfs/dbraw/zinc/01/75/08/456017508.db2.gz UXVJQGBYZCGWIJ-UHFFFAOYSA-N 1 2 337.423 3.438 10 30 EGEELO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272621910 456017831 /nfs/dbraw/zinc/01/78/31/456017831.db2.gz UWEHAIXZFUEXMJ-QGZVFWFLSA-N 1 2 343.471 3.278 10 30 EGEELO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000288075824 456085776 /nfs/dbraw/zinc/08/57/76/456085776.db2.gz GSTXZUGJDDZMCV-QZTJIDSGSA-N 1 2 336.439 3.281 10 30 EGEELO COc1cc(Nc2cc(C)[nH+]c(C)c2C#N)ccc1N1CCCC1=O ZINC000301787763 456213446 /nfs/dbraw/zinc/21/34/46/456213446.db2.gz PLRJOBQBRDZJOZ-UHFFFAOYSA-N 1 2 336.395 3.449 10 30 EGEELO C=CC[C@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000189097640 456226057 /nfs/dbraw/zinc/22/60/57/456226057.db2.gz UQNDYQRKQINPFI-IBGZPJMESA-N 1 2 335.451 3.480 10 30 EGEELO N#C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000340561316 456532330 /nfs/dbraw/zinc/53/23/30/456532330.db2.gz LIUXKNOFPAVIAK-GOSISDBHSA-N 1 2 334.354 3.065 10 30 EGEELO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000348287698 456599020 /nfs/dbraw/zinc/59/90/20/456599020.db2.gz VJWJDDTWNXFMBT-ZWNOBZJWSA-N 1 2 336.317 3.381 10 30 EGEELO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000348287698 456599027 /nfs/dbraw/zinc/59/90/27/456599027.db2.gz VJWJDDTWNXFMBT-ZWNOBZJWSA-N 1 2 336.317 3.381 10 30 EGEELO CC[N@H+](CC(=O)OC)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000353328592 456642407 /nfs/dbraw/zinc/64/24/07/456642407.db2.gz MPHWQWFXHWKDRH-UHFFFAOYSA-N 1 2 338.407 3.132 10 30 EGEELO CC[N@@H+](CC(=O)OC)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000353328592 456642414 /nfs/dbraw/zinc/64/24/14/456642414.db2.gz MPHWQWFXHWKDRH-UHFFFAOYSA-N 1 2 338.407 3.132 10 30 EGEELO CC(=O)N[C@@]1(c2noc(C)n2)CC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000328621559 456721606 /nfs/dbraw/zinc/72/16/06/456721606.db2.gz HUSOMANFCJIHFB-INIZCTEOSA-N 1 2 349.460 3.036 10 30 EGEELO CC(=O)N[C@@]1(c2noc(C)n2)CC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000328621559 456721610 /nfs/dbraw/zinc/72/16/10/456721610.db2.gz HUSOMANFCJIHFB-INIZCTEOSA-N 1 2 349.460 3.036 10 30 EGEELO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000328631824 456724450 /nfs/dbraw/zinc/72/44/50/456724450.db2.gz RJTLCCHVSIDEJA-KONPQCLYSA-N 1 2 325.412 3.400 10 30 EGEELO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338381213 456787524 /nfs/dbraw/zinc/78/75/24/456787524.db2.gz HXBQXSLYFIGFJH-LRDDRELGSA-N 1 2 344.352 3.267 10 30 EGEELO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338381213 456787530 /nfs/dbraw/zinc/78/75/30/456787530.db2.gz HXBQXSLYFIGFJH-LRDDRELGSA-N 1 2 344.352 3.267 10 30 EGEELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@](C)(O)C1CCCCC1 ZINC000329114798 456837546 /nfs/dbraw/zinc/83/75/46/456837546.db2.gz HXQBMBUGJMKWBO-MDYRTPRTSA-N 1 2 345.487 3.442 10 30 EGEELO C=C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000339081244 456931341 /nfs/dbraw/zinc/93/13/41/456931341.db2.gz QKOJFHMSWXWTEU-VQISRLSMSA-N 1 2 325.815 3.098 10 30 EGEELO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000329789798 456941220 /nfs/dbraw/zinc/94/12/20/456941220.db2.gz CIZZYBIGRZDJQJ-GYSYKLTISA-N 1 2 344.381 3.234 10 30 EGEELO CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000329789798 456941224 /nfs/dbraw/zinc/94/12/24/456941224.db2.gz CIZZYBIGRZDJQJ-GYSYKLTISA-N 1 2 344.381 3.234 10 30 EGEELO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000358979500 457044906 /nfs/dbraw/zinc/04/49/06/457044906.db2.gz KIGSALUSIZBUAY-UHFFFAOYSA-N 1 2 345.874 3.377 10 30 EGEELO CC1(C)CCC(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000330941088 457107796 /nfs/dbraw/zinc/10/77/96/457107796.db2.gz YGDFJRUCKYJSMV-UHFFFAOYSA-N 1 2 332.370 3.418 10 30 EGEELO C[C@@H](c1c(F)cccc1F)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355108980 457343356 /nfs/dbraw/zinc/34/33/56/457343356.db2.gz ULJNJAKXXCSHHJ-ZDUSSCGKSA-N 1 2 328.366 3.115 10 30 EGEELO Cn1cc(C#N)cc1C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000364335020 457565608 /nfs/dbraw/zinc/56/56/08/457565608.db2.gz CYKNAQSPNRUQAH-UHFFFAOYSA-N 1 2 345.406 3.349 10 30 EGEELO N#Cc1ccc(NCCc2[nH]c3ccc(F)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000357498754 457566753 /nfs/dbraw/zinc/56/67/53/457566753.db2.gz COVIIJFZCUBFMP-UHFFFAOYSA-N 1 2 325.303 3.136 10 30 EGEELO N#Cc1csc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000356418031 457615875 /nfs/dbraw/zinc/61/58/75/457615875.db2.gz AZNBNEXUOHZIKP-LLVKDONJSA-N 1 2 341.362 3.067 10 30 EGEELO N#Cc1csc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000356418031 457615883 /nfs/dbraw/zinc/61/58/83/457615883.db2.gz AZNBNEXUOHZIKP-LLVKDONJSA-N 1 2 341.362 3.067 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)Cc1cccc(C#N)c1)C2 ZINC000364533236 457635462 /nfs/dbraw/zinc/63/54/62/457635462.db2.gz UPIXEUSPBNNALM-INIZCTEOSA-N 1 2 336.439 3.168 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)CC2 ZINC000364533236 457635466 /nfs/dbraw/zinc/63/54/66/457635466.db2.gz UPIXEUSPBNNALM-INIZCTEOSA-N 1 2 336.439 3.168 10 30 EGEELO C=CCCCN(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443553735 457778639 /nfs/dbraw/zinc/77/86/39/457778639.db2.gz ZZIANSGSVFTOII-UHFFFAOYSA-N 1 2 335.879 3.306 10 30 EGEELO C=CCCCN(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443553735 457778644 /nfs/dbraw/zinc/77/86/44/457778644.db2.gz ZZIANSGSVFTOII-UHFFFAOYSA-N 1 2 335.879 3.306 10 30 EGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N[C@@H](C)CCC ZINC000411197130 457826409 /nfs/dbraw/zinc/82/64/09/457826409.db2.gz VNOBIDUORXLSNK-LSDHHAIUSA-N 1 2 333.432 3.276 10 30 EGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N[C@@H](C)CCC ZINC000411197130 457826415 /nfs/dbraw/zinc/82/64/15/457826415.db2.gz VNOBIDUORXLSNK-LSDHHAIUSA-N 1 2 333.432 3.276 10 30 EGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC(C)(C)CC ZINC000411198531 457828580 /nfs/dbraw/zinc/82/85/80/457828580.db2.gz YFIIJTBCQKVRIP-AWEZNQCLSA-N 1 2 333.432 3.276 10 30 EGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC(C)(C)CC ZINC000411198531 457828586 /nfs/dbraw/zinc/82/85/86/457828586.db2.gz YFIIJTBCQKVRIP-AWEZNQCLSA-N 1 2 333.432 3.276 10 30 EGEELO CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(=O)OC ZINC000444621572 457919664 /nfs/dbraw/zinc/91/96/64/457919664.db2.gz SOTVGRNIDMIKGN-UHFFFAOYSA-N 1 2 336.435 3.381 10 30 EGEELO CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(=O)OC ZINC000444621572 457919672 /nfs/dbraw/zinc/91/96/72/457919672.db2.gz SOTVGRNIDMIKGN-UHFFFAOYSA-N 1 2 336.435 3.381 10 30 EGEELO C=C(C)[C@@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(F)c1 ZINC000368206760 458018082 /nfs/dbraw/zinc/01/80/82/458018082.db2.gz CAWDQDFVQNSRCG-YVEFUNNKSA-N 1 2 346.381 3.162 10 30 EGEELO C=C(C)[C@@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c(F)c1 ZINC000368206760 458018090 /nfs/dbraw/zinc/01/80/90/458018090.db2.gz CAWDQDFVQNSRCG-YVEFUNNKSA-N 1 2 346.381 3.162 10 30 EGEELO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1nnc2n1CCCCC2 ZINC000358558523 458076021 /nfs/dbraw/zinc/07/60/21/458076021.db2.gz COZIVNIDNUPVFT-QWHCGFSZSA-N 1 2 327.407 3.427 10 30 EGEELO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccnn3-c3ccccc3)CCO2)c1 ZINC000369128439 458092117 /nfs/dbraw/zinc/09/21/17/458092117.db2.gz UNDKUBOTCXRJEW-NRFANRHFSA-N 1 2 344.418 3.317 10 30 EGEELO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccnn3-c3ccccc3)CCO2)c1 ZINC000369128439 458092123 /nfs/dbraw/zinc/09/21/23/458092123.db2.gz UNDKUBOTCXRJEW-NRFANRHFSA-N 1 2 344.418 3.317 10 30 EGEELO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)s1 ZINC000414144217 458315139 /nfs/dbraw/zinc/31/51/39/458315139.db2.gz SYEPNAYKCFLJAQ-ZJUUUORDSA-N 1 2 333.388 3.352 10 30 EGEELO C=CCCCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000448388882 458401114 /nfs/dbraw/zinc/40/11/14/458401114.db2.gz NGIPHNVVNYOXJR-INIZCTEOSA-N 1 2 331.460 3.050 10 30 EGEELO C=CCC[C@H]([NH2+]Cc1ccccc1-c1ccnn1C)C(=O)OCC ZINC000449659547 458428766 /nfs/dbraw/zinc/42/87/66/458428766.db2.gz VZGRGJKKONWENP-KRWDZBQOSA-N 1 2 327.428 3.075 10 30 EGEELO OC[C@]1(F)C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1c1ccccc1 ZINC000451285618 458472148 /nfs/dbraw/zinc/47/21/48/458472148.db2.gz QZSIYKNYTYBXRL-WOJBJXKFSA-N 1 2 343.829 3.492 10 30 EGEELO OC[C@]1(F)C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1c1ccccc1 ZINC000451285618 458472153 /nfs/dbraw/zinc/47/21/53/458472153.db2.gz QZSIYKNYTYBXRL-WOJBJXKFSA-N 1 2 343.829 3.492 10 30 EGEELO Cc1ccccc1[C@]1(F)CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000502878464 458675598 /nfs/dbraw/zinc/67/55/98/458675598.db2.gz SBSBKADEISJCTL-FQEVSTJZSA-N 1 2 337.398 3.376 10 30 EGEELO Cc1ccccc1[C@]1(F)CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000502878464 458675606 /nfs/dbraw/zinc/67/56/06/458675606.db2.gz SBSBKADEISJCTL-FQEVSTJZSA-N 1 2 337.398 3.376 10 30 EGEELO Cc1ccccc1[C@@]1(F)CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000502945648 458683317 /nfs/dbraw/zinc/68/33/17/458683317.db2.gz ZEZFDTHKSIMHAC-HXUWFJFHSA-N 1 2 337.398 3.376 10 30 EGEELO Cc1ccccc1[C@@]1(F)CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000502945648 458683322 /nfs/dbraw/zinc/68/33/22/458683322.db2.gz ZEZFDTHKSIMHAC-HXUWFJFHSA-N 1 2 337.398 3.376 10 30 EGEELO COC(=O)c1cc(NCc2c[nH+]c3ccc(C#N)cn23)c(C)cc1C ZINC000471816514 458736099 /nfs/dbraw/zinc/73/60/99/458736099.db2.gz OWGOGSVXKGFTJO-UHFFFAOYSA-N 1 2 334.379 3.222 10 30 EGEELO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ncc(Br)cn1 ZINC000432993622 458823795 /nfs/dbraw/zinc/82/37/95/458823795.db2.gz DGIAXBLVNYJCFG-SECBINFHSA-N 1 2 335.180 3.101 10 30 EGEELO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ncc(Br)cn1 ZINC000433001554 458825643 /nfs/dbraw/zinc/82/56/43/458825643.db2.gz ZYGPOCSNNDEBPS-LLVKDONJSA-N 1 2 334.192 3.081 10 30 EGEELO C=CCOc1ccc(C[NH2+][C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)cc1 ZINC000517036077 458825679 /nfs/dbraw/zinc/82/56/79/458825679.db2.gz VULIHNRBMXXTKQ-WDSOQIARSA-N 1 2 347.455 3.088 10 30 EGEELO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000551988042 458890451 /nfs/dbraw/zinc/89/04/51/458890451.db2.gz IHRIIMSTOFVMES-AWEZNQCLSA-N 1 2 337.427 3.029 10 30 EGEELO C[N@H+](CC#Cc1ccccc1Cl)[C@@H]1CCN(c2ccccc2)C1=O ZINC000441241343 458905562 /nfs/dbraw/zinc/90/55/62/458905562.db2.gz SLDSVUKJBPESGJ-LJQANCHMSA-N 1 2 338.838 3.429 10 30 EGEELO C[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCN(c2ccccc2)C1=O ZINC000441241343 458905563 /nfs/dbraw/zinc/90/55/63/458905563.db2.gz SLDSVUKJBPESGJ-LJQANCHMSA-N 1 2 338.838 3.429 10 30 EGEELO COC(=O)c1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000519745993 458997142 /nfs/dbraw/zinc/99/71/42/458997142.db2.gz SLKKVFKWANRNLO-YGRLFVJLSA-N 1 2 326.318 3.118 10 30 EGEELO COC(=O)c1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000519745993 458997151 /nfs/dbraw/zinc/99/71/51/458997151.db2.gz SLKKVFKWANRNLO-YGRLFVJLSA-N 1 2 326.318 3.118 10 30 EGEELO N#CC1(c2ccc(CNc3cc(CSCCO)cc[nH+]3)cc2)CC1 ZINC000594735210 459145399 /nfs/dbraw/zinc/14/53/99/459145399.db2.gz ODZQJFIKGLKBPN-UHFFFAOYSA-N 1 2 339.464 3.474 10 30 EGEELO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000567995459 459205516 /nfs/dbraw/zinc/20/55/16/459205516.db2.gz LKQIMHBNLCULQK-SFHVURJKSA-N 1 2 346.862 3.035 10 30 EGEELO N#Cc1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000568601285 459314299 /nfs/dbraw/zinc/31/42/99/459314299.db2.gz JAGFNLZOIMYLCA-OAHLLOKOSA-N 1 2 335.245 3.200 10 30 EGEELO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000568601285 459314304 /nfs/dbraw/zinc/31/43/04/459314304.db2.gz JAGFNLZOIMYLCA-OAHLLOKOSA-N 1 2 335.245 3.200 10 30 EGEELO N#Cc1ccc(CNC(=O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC000595677150 459393697 /nfs/dbraw/zinc/39/36/97/459393697.db2.gz SOVSSXMUARAGHL-HXUWFJFHSA-N 1 2 349.434 3.385 10 30 EGEELO N#Cc1ccc(CNC(=O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC000595677150 459393701 /nfs/dbraw/zinc/39/37/01/459393701.db2.gz SOVSSXMUARAGHL-HXUWFJFHSA-N 1 2 349.434 3.385 10 30 EGEELO CC(C)c1ncc(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000582669600 459407333 /nfs/dbraw/zinc/40/73/33/459407333.db2.gz ABPVKMWUJSIZPO-UHFFFAOYSA-N 1 2 325.372 3.012 10 30 EGEELO CC(C)c1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000582669600 459407337 /nfs/dbraw/zinc/40/73/37/459407337.db2.gz ABPVKMWUJSIZPO-UHFFFAOYSA-N 1 2 325.372 3.012 10 30 EGEELO C=CC[N@@H+](Cc1c(C)c(C)c(C)c(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000485676542 459465378 /nfs/dbraw/zinc/46/53/78/459465378.db2.gz VELAHGQRWZIZOK-GOSISDBHSA-N 1 2 335.513 3.404 10 30 EGEELO C=CC[N@H+](Cc1c(C)c(C)c(C)c(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000485676542 459465382 /nfs/dbraw/zinc/46/53/82/459465382.db2.gz VELAHGQRWZIZOK-GOSISDBHSA-N 1 2 335.513 3.404 10 30 EGEELO N#Cc1cnccc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000592102284 459524666 /nfs/dbraw/zinc/52/46/66/459524666.db2.gz XARWBSBTSRBEHT-CQSZACIVSA-N 1 2 335.333 3.006 10 30 EGEELO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000592102284 459524669 /nfs/dbraw/zinc/52/46/69/459524669.db2.gz XARWBSBTSRBEHT-CQSZACIVSA-N 1 2 335.333 3.006 10 30 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N#Cc1cc([N+](=O)[O-])ccc1NCc1[nH+]ccn1Cc1ccccc1 ZINC000078498886 454264602 /nfs/dbraw/zinc/26/46/02/454264602.db2.gz BYARVNOOQFACRP-UHFFFAOYSA-N 1 2 333.351 3.323 10 30 EGEELO C#CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCSc2ccc(C)cc21 ZINC000072270369 454279445 /nfs/dbraw/zinc/27/94/45/454279445.db2.gz RJEHKAOAKJWPDO-DLBZAZTESA-N 1 2 328.481 3.136 10 30 EGEELO C#CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCSc2ccc(C)cc21 ZINC000072270369 454279449 /nfs/dbraw/zinc/27/94/49/454279449.db2.gz RJEHKAOAKJWPDO-DLBZAZTESA-N 1 2 328.481 3.136 10 30 EGEELO C=CCN(Cc1[nH+]ccn1Cc1cccc(OC)c1)C(=O)NC(C)C ZINC000096207063 454304629 /nfs/dbraw/zinc/30/46/29/454304629.db2.gz RHUWHFIWBZUKRD-UHFFFAOYSA-N 1 2 342.443 3.046 10 30 EGEELO C=CCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000091008575 454360701 /nfs/dbraw/zinc/36/07/01/454360701.db2.gz IFBBJGCIRAWMPX-CABCVRRESA-N 1 2 325.815 3.100 10 30 EGEELO C=CCNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000091008575 454360707 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CC1(C)C[NH+](CC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)C1 ZINC000578080997 459142729 /nfs/dbraw/zinc/14/27/29/459142729.db2.gz IMQPIIOZPLFNRS-LBPRGKRZSA-N 1 2 326.227 3.016 10 30 EGEELO C[C@H]1CCN(c2cccc(-n3cccn3)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000567752202 459160802 /nfs/dbraw/zinc/16/08/02/459160802.db2.gz AURMMFHVHKEODE-KXBFYZLASA-N 1 2 332.411 3.028 10 30 EGEELO COc1ccnc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1F ZINC000594978618 459203567 /nfs/dbraw/zinc/20/35/67/459203567.db2.gz SXBGEELRQUPVKY-UHFFFAOYSA-N 1 2 339.292 3.410 10 30 EGEELO N#CC1(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CCCCC1 ZINC000595090131 459241859 /nfs/dbraw/zinc/24/18/59/459241859.db2.gz CXEQESXJHLUABK-OAHLLOKOSA-N 1 2 336.432 3.108 10 30 EGEELO C[C@H](C#N)CN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CC1 ZINC000533582598 459257592 /nfs/dbraw/zinc/25/75/92/459257592.db2.gz OLDZXJQVPIDXLZ-CYBMUJFWSA-N 1 2 347.488 3.285 10 30 EGEELO CC[N@@H+]1CC[C@@H](Nc2cc(C#N)ncn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000559501591 459262788 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349.434 3.385 10 30 EGEELO N#Cc1ccc(CNC(=O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1 ZINC000595677142 459393399 /nfs/dbraw/zinc/39/33/99/459393399.db2.gz SOVSSXMUARAGHL-FQEVSTJZSA-N 1 2 349.434 3.385 10 30 EGEELO C[C@@]1(C#N)CCN(Cc2cc(C[N@@H+]3CC[C@@](C)(C#N)C3)ccc2F)C1 ZINC000595840844 459461238 /nfs/dbraw/zinc/46/12/38/459461238.db2.gz GLUUZWQYSXDXKD-PMACEKPBSA-N 1 2 340.446 3.297 10 30 EGEELO C[C@@]1(C#N)CCN(Cc2cc(C[N@H+]3CC[C@@](C)(C#N)C3)ccc2F)C1 ZINC000595840844 459461243 /nfs/dbraw/zinc/46/12/43/459461243.db2.gz GLUUZWQYSXDXKD-PMACEKPBSA-N 1 2 340.446 3.297 10 30 EGEELO C=CC[C@H](CC)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000541552804 459465749 /nfs/dbraw/zinc/46/57/49/459465749.db2.gz BJFHOJATTZQQJK-XKQJLSEDSA-N 1 2 337.414 3.364 10 30 EGEELO C=CC[C@H](CC)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000541552804 459465753 /nfs/dbraw/zinc/46/57/53/459465753.db2.gz BJFHOJATTZQQJK-XKQJLSEDSA-N 1 2 337.414 3.364 10 30 EGEELO Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)cc(C#N)c1[N+](=O)[O-] ZINC000596066985 459507687 /nfs/dbraw/zinc/50/76/87/459507687.db2.gz IOIHTVNPPQZGHF-UHFFFAOYSA-N 1 2 337.383 3.382 10 30 EGEELO N#CC1(CC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCCCC1 ZINC000596704830 459734715 /nfs/dbraw/zinc/73/47/15/459734715.db2.gz FBJVKLGTDZXGRF-UHFFFAOYSA-N 1 2 330.819 3.468 10 30 EGEELO C[C@H](CC#N)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000596796546 459764357 /nfs/dbraw/zinc/76/43/57/459764357.db2.gz KLBUBTJTMULQKO-IUODEOHRSA-N 1 2 337.826 3.282 10 30 EGEELO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)c1C ZINC000593121495 459779731 /nfs/dbraw/zinc/77/97/31/459779731.db2.gz BRLRHSBHHWEHQP-IBGZPJMESA-N 1 2 336.435 3.239 10 30 EGEELO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)c1C ZINC000593121495 459779737 /nfs/dbraw/zinc/77/97/37/459779737.db2.gz BRLRHSBHHWEHQP-IBGZPJMESA-N 1 2 336.435 3.239 10 30 EGEELO N#CCC1C[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000597203939 459876368 /nfs/dbraw/zinc/87/63/68/459876368.db2.gz REZNEDQEMJRIOI-UHFFFAOYSA-N 1 2 334.345 3.296 10 30 EGEELO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593498021 459907363 /nfs/dbraw/zinc/90/73/63/459907363.db2.gz SRNRROHHKBMNNX-MOPGFXCFSA-N 1 2 348.450 3.060 10 30 EGEELO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598648817 459978099 /nfs/dbraw/zinc/97/80/99/459978099.db2.gz IBSPYXVGXUCWQJ-DXCKQFNASA-N 1 2 329.435 3.233 10 30 EGEELO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000598836355 460058959 /nfs/dbraw/zinc/05/89/59/460058959.db2.gz HAYSFFLOMCBPIY-HXUWFJFHSA-N 1 2 327.472 3.237 10 30 EGEELO Cc1cc[nH+]c([C@@H]2CCN(c3ncc(Br)cc3C#N)C2)c1 ZINC000599100274 460161396 /nfs/dbraw/zinc/16/13/96/460161396.db2.gz LNSVJKBKYNGNGC-GFCCVEGCSA-N 1 2 343.228 3.413 10 30 EGEELO N#CCc1cccc2c1CC[N@@H+](CC(=O)NCCC1CCCCC1)C2 ZINC000599678272 460307531 /nfs/dbraw/zinc/30/75/31/460307531.db2.gz HEILNBKGXSAJJR-UHFFFAOYSA-N 1 2 339.483 3.197 10 30 EGEELO N#CCc1cccc2c1CC[N@H+](CC(=O)NCCC1CCCCC1)C2 ZINC000599678272 460307536 /nfs/dbraw/zinc/30/75/36/460307536.db2.gz HEILNBKGXSAJJR-UHFFFAOYSA-N 1 2 339.483 3.197 10 30 EGEELO Cc1cccn2cc(CCNC(=O)c3ccc(C4(C#N)CC4)cc3)[nH+]c12 ZINC000611472806 460372217 /nfs/dbraw/zinc/37/22/17/460372217.db2.gz RASADKQUCDTRSR-UHFFFAOYSA-N 1 2 344.418 3.170 10 30 EGEELO COc1cc(F)c(C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1OC ZINC000600212560 460443886 /nfs/dbraw/zinc/44/38/86/460443886.db2.gz GFOAORFLTPXBBW-UHFFFAOYSA-N 1 2 340.398 3.467 10 30 EGEELO COc1cc(F)c(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1OC ZINC000600212560 460443893 /nfs/dbraw/zinc/44/38/93/460443893.db2.gz GFOAORFLTPXBBW-UHFFFAOYSA-N 1 2 340.398 3.467 10 30 EGEELO C[N@@H+](Cc1cccc(F)c1OCC(F)(F)F)C[C@H](O)C(F)(F)F ZINC000628280021 461070183 /nfs/dbraw/zinc/07/01/83/461070183.db2.gz LZCGNJPJRLCWEV-JTQLQIEISA-N 1 2 349.246 3.122 10 30 EGEELO C[N@H+](Cc1cccc(F)c1OCC(F)(F)F)C[C@H](O)C(F)(F)F ZINC000628280021 461070185 /nfs/dbraw/zinc/07/01/85/461070185.db2.gz LZCGNJPJRLCWEV-JTQLQIEISA-N 1 2 349.246 3.122 10 30 EGEELO C=CC[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)C1 ZINC000636502808 461188144 /nfs/dbraw/zinc/18/81/44/461188144.db2.gz VHKSNWTXFFKJAO-PBHICJAKSA-N 1 2 342.418 3.256 10 30 EGEELO C=CC[C@H]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)C1 ZINC000636505738 461190694 /nfs/dbraw/zinc/19/06/94/461190694.db2.gz UTWDXBDOGJZYKS-WMLDXEAASA-N 1 2 342.418 3.256 10 30 EGEELO C=CC(C)(C)CCNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000637321199 461479094 /nfs/dbraw/zinc/47/90/94/461479094.db2.gz UVOHWKJODXVJLQ-UHFFFAOYSA-N 1 2 332.370 3.189 10 30 EGEELO C=CCOCCNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000669656315 461755501 /nfs/dbraw/zinc/75/55/01/461755501.db2.gz IWOHHYCMJOSXCQ-UHFFFAOYSA-N 1 2 325.181 3.173 10 30 EGEELO C=CCCn1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)nn1 ZINC000653663181 461793804 /nfs/dbraw/zinc/79/38/04/461793804.db2.gz JHKQTJCTLUBEDP-AWEZNQCLSA-N 1 2 328.382 3.409 10 30 EGEELO C=CCCn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)nn1 ZINC000653663181 461793811 /nfs/dbraw/zinc/79/38/11/461793811.db2.gz JHKQTJCTLUBEDP-AWEZNQCLSA-N 1 2 328.382 3.409 10 30 EGEELO C=CC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@H](C)COC ZINC000661243889 462167743 /nfs/dbraw/zinc/16/77/43/462167743.db2.gz PDMUTRHGIWLSLS-GFCCVEGCSA-N 1 2 327.384 3.105 10 30 EGEELO C=CC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@H](C)COC ZINC000661243889 462167749 /nfs/dbraw/zinc/16/77/49/462167749.db2.gz PDMUTRHGIWLSLS-GFCCVEGCSA-N 1 2 327.384 3.105 10 30 EGEELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)Cc1ccc(F)cc1F)CCC2 ZINC000328731878 547483734 /nfs/dbraw/zinc/48/37/34/547483734.db2.gz XDGGHLSCYSKYNL-CYBMUJFWSA-N 1 2 348.397 3.393 10 30 EGEELO C=C(C)[C@H](CO)Sc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000671164474 548255166 /nfs/dbraw/zinc/25/51/66/548255166.db2.gz JSDBVPNQVKHZHG-AWEZNQCLSA-N 1 2 346.843 3.498 10 30 EGEELO Brc1ccc(N=NC2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000727263153 574657123 /nfs/dbraw/zinc/65/71/23/574657123.db2.gz PBTLLVCZCIHASW-UHFFFAOYSA-N 1 2 346.232 3.307 10 30 EGEELO COc1ccc(C=NNc2[nH]c3cc(F)c(F)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000730144738 574924761 /nfs/dbraw/zinc/92/47/61/574924761.db2.gz FMGHUUYONHEODQ-UHFFFAOYSA-N 1 2 347.281 3.204 10 30 EGEELO CC(C)C[N@H+](CCC#N)CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000741796731 576722776 /nfs/dbraw/zinc/72/27/76/576722776.db2.gz XLGHCLPHDYCFOH-UHFFFAOYSA-N 1 2 345.491 3.274 10 30 EGEELO CC(C)C[N@@H+](CCC#N)CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000741796731 576722778 /nfs/dbraw/zinc/72/27/78/576722778.db2.gz XLGHCLPHDYCFOH-UHFFFAOYSA-N 1 2 345.491 3.274 10 30 EGEELO C[C@@H]1CCc2nc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)sc2C1 ZINC000328738152 1297257997 /nfs/dbraw/zinc/25/79/97/1297257997.db2.gz LZTSFNRABLHRNE-LLVKDONJSA-N 1 2 345.472 3.416 10 30 EGEELO C#C[C@H]1CC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000873291672 1297414477 /nfs/dbraw/zinc/41/44/77/1297414477.db2.gz HFKVQBHRGURWFB-UAPYVXQJSA-N 1 2 342.487 3.277 10 30 EGEELO C#C[C@H]1CC[C@H](NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000874862908 1298136220 /nfs/dbraw/zinc/13/62/20/1298136220.db2.gz YQSLPHQCBWPXHP-RUCARUNLSA-N 1 2 348.450 3.319 10 30 EGEELO C=C(Cl)C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)C(=O)OCC ZINC000877671856 1299468893 /nfs/dbraw/zinc/46/88/93/1299468893.db2.gz QFCREBYJBDTKTI-WBVHZDCISA-N 1 2 336.863 3.177 10 30 EGEELO C=CCCn1cc(C[N@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)nn1 ZINC000877783762 1299556214 /nfs/dbraw/zinc/55/62/14/1299556214.db2.gz FZOOONSYAICTLR-HNNXBMFYSA-N 1 2 328.464 3.080 10 30 EGEELO C=CCCn1cc(C[N@@H+]2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)nn1 ZINC000877783762 1299556219 /nfs/dbraw/zinc/55/62/19/1299556219.db2.gz FZOOONSYAICTLR-HNNXBMFYSA-N 1 2 328.464 3.080 10 30 EGEELO C#CCC1(O)CC[NH+](Cc2ccc(Cl)nc2C(F)(F)F)CC1 ZINC000880483627 1301139815 /nfs/dbraw/zinc/13/98/15/1301139815.db2.gz HIIOWKCNDIAKMM-UHFFFAOYSA-N 1 2 332.753 3.104 10 30 EGEELO C=CC[N@@H+](Cc1cn(C)nc1C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000891840443 1305184841 /nfs/dbraw/zinc/18/48/41/1305184841.db2.gz TYIORSDODAGJPH-UHFFFAOYSA-N 1 2 326.400 3.394 10 30 EGEELO C=CC[N@H+](Cc1cn(C)nc1C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000891840443 1305184846 /nfs/dbraw/zinc/18/48/46/1305184846.db2.gz TYIORSDODAGJPH-UHFFFAOYSA-N 1 2 326.400 3.394 10 30 EGEELO CCCCCCCC[C@H](C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896533520 1309906762 /nfs/dbraw/zinc/90/67/62/1309906762.db2.gz ZQGOLNYPYJTGAA-OKZBNKHCSA-N 1 2 325.541 3.124 10 30 EGEELO CCCCCCCC[C@H](C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896533520 1309906769 /nfs/dbraw/zinc/90/67/69/1309906769.db2.gz ZQGOLNYPYJTGAA-OKZBNKHCSA-N 1 2 325.541 3.124 10 30 EGEELO N#CC1(c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CC2(CC2)C1 ZINC000896822185 1310034612 /nfs/dbraw/zinc/03/46/12/1310034612.db2.gz ZWLJQEYYBQOXRA-UHFFFAOYSA-N 1 2 331.379 3.181 10 30 EGEELO C=C1CC(C)(c2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000896916746 1310084548 /nfs/dbraw/zinc/08/45/48/1310084548.db2.gz QKGZDEWRYOVKRI-MRXNPFEDSA-N 1 2 325.412 3.251 10 30 EGEELO C=C1CC(C)(c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000896916746 1310084556 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C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)[C@@H]2CC)CCC1 ZINC001689186742 1396963094 /nfs/dbraw/zinc/96/30/94/1396963094.db2.gz WRNOXZOVASEUSH-DLBZAZTESA-N 1 2 331.460 3.199 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)[C@@H]2CC)CCC1 ZINC001689186742 1396963097 /nfs/dbraw/zinc/96/30/97/1396963097.db2.gz WRNOXZOVASEUSH-DLBZAZTESA-N 1 2 331.460 3.199 10 30 EGEELO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)OC1CCCCCC1 ZINC001498377748 1396981606 /nfs/dbraw/zinc/98/16/06/1396981606.db2.gz AXMMERKHTLTUBA-GJZGRUSLSA-N 1 2 330.900 3.303 10 30 EGEELO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)OC1CCCCCC1 ZINC001498377748 1396981610 /nfs/dbraw/zinc/98/16/10/1396981610.db2.gz AXMMERKHTLTUBA-GJZGRUSLSA-N 1 2 330.900 3.303 10 30 EGEELO C=C(C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1noc(C(C)C)n1 ZINC001689902670 1404195738 /nfs/dbraw/zinc/19/57/38/1404195738.db2.gz LOYUSWLHTLFPEO-HOTGVXAUSA-N 1 2 348.491 3.409 10 30 EGEELO C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC001690018878 1404259167 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10 30 EGEELO CC1(CC(=O)NC[C@H]2CCCC[N@H+]2Cc2cc(F)ccc2C#N)CC1 ZINC001690450476 1404575851 /nfs/dbraw/zinc/57/58/51/1404575851.db2.gz KBXWKXFXFHSJBZ-GOSISDBHSA-N 1 2 343.446 3.358 10 30 EGEELO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(C)n(CC2CC2)c1C ZINC001725187458 1425722736 /nfs/dbraw/zinc/72/27/36/1425722736.db2.gz GIOMCBHGTCNPGG-CQSZACIVSA-N 1 2 337.895 3.318 10 30 EGEELO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C)n(CC2CC2)c1C ZINC001725187458 1425722741 /nfs/dbraw/zinc/72/27/41/1425722741.db2.gz GIOMCBHGTCNPGG-CQSZACIVSA-N 1 2 337.895 3.318 10 30 EGEELO CC[C@H](C)[C@H](C)C(=O)NCC[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001691046310 1404958592 /nfs/dbraw/zinc/95/85/92/1404958592.db2.gz OGWXLFIVAQGXBL-GJZGRUSLSA-N 1 2 333.451 3.318 10 30 EGEELO CC[C@H](C)[C@H](C)C(=O)NCC[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001691046310 1404958593 /nfs/dbraw/zinc/95/85/93/1404958593.db2.gz OGWXLFIVAQGXBL-GJZGRUSLSA-N 1 2 333.451 3.318 10 30 EGEELO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001691086211 1405020467 /nfs/dbraw/zinc/02/04/67/1405020467.db2.gz OFFHCPHNRHPDLV-STQMWFEESA-N 1 2 331.298 3.158 10 30 EGEELO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001691086211 1405020469 /nfs/dbraw/zinc/02/04/69/1405020469.db2.gz OFFHCPHNRHPDLV-STQMWFEESA-N 1 2 331.298 3.158 10 30 EGEELO C=C(Cl)C[N@H+](CCNC(=O)Cc1cccc2ncccc12)C1CC1 ZINC001691217630 1405158504 /nfs/dbraw/zinc/15/85/04/1405158504.db2.gz RMZQCHYWGQKQDH-UHFFFAOYSA-N 1 2 343.858 3.110 10 30 EGEELO C=C(Cl)C[N@@H+](CCNC(=O)Cc1cccc2ncccc12)C1CC1 ZINC001691217630 1405158505 /nfs/dbraw/zinc/15/85/05/1405158505.db2.gz RMZQCHYWGQKQDH-UHFFFAOYSA-N 1 2 343.858 3.110 10 30 EGEELO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C1CCCC1 ZINC001691411111 1405250014 /nfs/dbraw/zinc/25/00/14/1405250014.db2.gz ZLXKAQYFNAIFCE-GOEBONIOSA-N 1 2 345.512 3.479 10 30 EGEELO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C1CCCC1 ZINC001691411111 1405250015 /nfs/dbraw/zinc/25/00/15/1405250015.db2.gz ZLXKAQYFNAIFCE-GOEBONIOSA-N 1 2 345.512 3.479 10 30 EGEELO C[C@H](CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC001691416698 1405256165 /nfs/dbraw/zinc/25/61/65/1405256165.db2.gz OLTQZAIMZHSHHT-UKRRQHHQSA-N 1 2 331.485 3.089 10 30 EGEELO C[C@H](CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC001691416698 1405256169 /nfs/dbraw/zinc/25/61/69/1405256169.db2.gz OLTQZAIMZHSHHT-UKRRQHHQSA-N 1 2 331.485 3.089 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001691650044 1405383062 /nfs/dbraw/zinc/38/30/62/1405383062.db2.gz VXVJNWMLGCLSLL-QGZVFWFLSA-N 1 2 343.446 3.332 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001691650044 1405383067 /nfs/dbraw/zinc/38/30/67/1405383067.db2.gz VXVJNWMLGCLSLL-QGZVFWFLSA-N 1 2 343.446 3.332 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001691708240 1405436781 /nfs/dbraw/zinc/43/67/81/1405436781.db2.gz HNEULHVSHIKYSR-HIFRSBDPSA-N 1 2 335.879 3.416 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001691708240 1405436782 /nfs/dbraw/zinc/43/67/82/1405436782.db2.gz HNEULHVSHIKYSR-HIFRSBDPSA-N 1 2 335.879 3.416 10 30 EGEELO CC#CCCCC(=O)NC[C@H]([NH2+]Cc1cc(C)no1)c1ccccc1 ZINC001691791954 1405502138 /nfs/dbraw/zinc/50/21/38/1405502138.db2.gz KHTHWMPCBKEWPT-IBGZPJMESA-N 1 2 339.439 3.124 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001692148696 1405801675 /nfs/dbraw/zinc/80/16/75/1405801675.db2.gz GEBNTXHSSSIWLP-KRWDZBQOSA-N 1 2 334.410 3.239 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001692148696 1405801684 /nfs/dbraw/zinc/80/16/84/1405801684.db2.gz GEBNTXHSSSIWLP-KRWDZBQOSA-N 1 2 334.410 3.239 10 30 EGEELO C[C@@H]1[C@@H](NC(=O)CCCC2CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001692194279 1405833373 /nfs/dbraw/zinc/83/33/73/1405833373.db2.gz QIQWSZKBIPDFSU-KUHUBIRLSA-N 1 2 343.446 3.357 10 30 EGEELO C[C@@H]1[C@@H](NC(=O)CCCC2CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001692194279 1405833378 /nfs/dbraw/zinc/83/33/78/1405833378.db2.gz QIQWSZKBIPDFSU-KUHUBIRLSA-N 1 2 343.446 3.357 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ncc(C(C)C)o2)[C@@H]1CC ZINC001692200179 1405838385 /nfs/dbraw/zinc/83/83/85/1405838385.db2.gz UXZSTFJXDCZDRB-LSDHHAIUSA-N 1 2 333.476 3.479 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)[C@@H]1CC ZINC001692200179 1405838393 /nfs/dbraw/zinc/83/83/93/1405838393.db2.gz UXZSTFJXDCZDRB-LSDHHAIUSA-N 1 2 333.476 3.479 10 30 EGEELO C=C(Br)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC12CC2 ZINC001692257786 1405885378 /nfs/dbraw/zinc/88/53/78/1405885378.db2.gz RDIRMBTWAPVTTN-KBPBESRZSA-N 1 2 341.293 3.008 10 30 EGEELO C=C(Br)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC12CC2 ZINC001692257786 1405885382 /nfs/dbraw/zinc/88/53/82/1405885382.db2.gz RDIRMBTWAPVTTN-KBPBESRZSA-N 1 2 341.293 3.008 10 30 EGEELO C#CCCCCC(=O)NCC1C[NH+](Cc2cc(Cl)ccc2F)C1 ZINC001692296925 1405924617 /nfs/dbraw/zinc/92/46/17/1405924617.db2.gz BVGOHSCXJNUKQD-UHFFFAOYSA-N 1 2 336.838 3.221 10 30 EGEELO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccn(C3CCCC3)n2)[C@@H]1C ZINC001692387060 1405992783 /nfs/dbraw/zinc/99/27/83/1405992783.db2.gz HKASKQFYNVFWKB-APWZRJJASA-N 1 2 344.503 3.434 10 30 EGEELO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C3CCCC3)n2)[C@@H]1C ZINC001692387060 1405992785 /nfs/dbraw/zinc/99/27/85/1405992785.db2.gz HKASKQFYNVFWKB-APWZRJJASA-N 1 2 344.503 3.434 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H]1C ZINC001692405474 1405999427 /nfs/dbraw/zinc/99/94/27/1405999427.db2.gz RYKHWAHMYQFRSV-MNOVXSKESA-N 1 2 326.790 3.297 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H]1C ZINC001692405474 1405999432 /nfs/dbraw/zinc/99/94/32/1405999432.db2.gz RYKHWAHMYQFRSV-MNOVXSKESA-N 1 2 326.790 3.297 10 30 EGEELO C#CCCCC(=O)NC[C@H]([NH2+]Cc1oc(C)nc1C)c1ccccc1 ZINC001732018649 1428235462 /nfs/dbraw/zinc/23/54/62/1428235462.db2.gz BQGVBJDJNAWPFQ-SFHVURJKSA-N 1 2 339.439 3.042 10 30 EGEELO C[C@@H]1CCC[C@H]1CC(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001732127579 1428375820 /nfs/dbraw/zinc/37/58/20/1428375820.db2.gz OGKAQAHXWKRABR-PBHICJAKSA-N 1 2 343.446 3.072 10 30 EGEELO C=CCCC(=O)N(C)[C@H]1CC[N@H+](Cc2noc3c2CC(C)(C)CC3)C1 ZINC001732160517 1428404262 /nfs/dbraw/zinc/40/42/62/1428404262.db2.gz ZDJHVSGFAKUWGK-HNNXBMFYSA-N 1 2 345.487 3.188 10 30 EGEELO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2noc3c2CC(C)(C)CC3)C1 ZINC001732160517 1428404265 /nfs/dbraw/zinc/40/42/65/1428404265.db2.gz ZDJHVSGFAKUWGK-HNNXBMFYSA-N 1 2 345.487 3.188 10 30 EGEELO C=C1CCC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2nnc(C(C)(C)C)o2)CC1 ZINC001732435813 1428579751 /nfs/dbraw/zinc/57/97/51/1428579751.db2.gz JJTPKCJPHVZGTI-AWEZNQCLSA-N 1 2 348.491 3.050 10 30 EGEELO C=CCC1(C(=O)N(CC)CC[NH2+][C@@H](C)c2nc(C)no2)CCCC1 ZINC001699221189 1412585690 /nfs/dbraw/zinc/58/56/90/1412585690.db2.gz FUEDTABEMCFBMF-AWEZNQCLSA-N 1 2 334.464 3.014 10 30 EGEELO C=CCCC(=O)N[C@H](C)C[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC001699446825 1412781544 /nfs/dbraw/zinc/78/15/44/1412781544.db2.gz WGUUZBJNCOFHPQ-CYBMUJFWSA-N 1 2 333.457 3.306 10 30 EGEELO C=CCCC(=O)N[C@H](C)C[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC001699446825 1412781546 /nfs/dbraw/zinc/78/15/46/1412781546.db2.gz WGUUZBJNCOFHPQ-CYBMUJFWSA-N 1 2 333.457 3.306 10 30 EGEELO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CC2=CCCCC2)s1 ZINC001699611829 1412977111 /nfs/dbraw/zinc/97/71/11/1412977111.db2.gz KMWKQUKANDYOMF-OAHLLOKOSA-N 1 2 329.469 3.201 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CC2=CCCCC2)s1 ZINC001699611829 1412977114 /nfs/dbraw/zinc/97/71/14/1412977114.db2.gz KMWKQUKANDYOMF-OAHLLOKOSA-N 1 2 329.469 3.201 10 30 EGEELO CCC(CC)[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001699626529 1412994032 /nfs/dbraw/zinc/99/40/32/1412994032.db2.gz IILISUXKHUOZOX-KDOFPFPSSA-N 1 2 345.462 3.460 10 30 EGEELO CCC(CC)[C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001699626529 1412994035 /nfs/dbraw/zinc/99/40/35/1412994035.db2.gz IILISUXKHUOZOX-KDOFPFPSSA-N 1 2 345.462 3.460 10 30 EGEELO CCC[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(C)C ZINC001699633548 1413005764 /nfs/dbraw/zinc/00/57/64/1413005764.db2.gz HNQJLICIVGBGTA-PBHICJAKSA-N 1 2 333.501 3.383 10 30 EGEELO CCC[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(C)C ZINC001699633548 1413005768 /nfs/dbraw/zinc/00/57/68/1413005768.db2.gz HNQJLICIVGBGTA-PBHICJAKSA-N 1 2 333.501 3.383 10 30 EGEELO CC[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(C)C ZINC001699638126 1413013950 /nfs/dbraw/zinc/01/39/50/1413013950.db2.gz JMESUVQXZVHHBN-VQTJNVASSA-N 1 2 326.484 3.301 10 30 EGEELO CC[C@@H](CC(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(C)C ZINC001699638126 1413013951 /nfs/dbraw/zinc/01/39/51/1413013951.db2.gz JMESUVQXZVHHBN-VQTJNVASSA-N 1 2 326.484 3.301 10 30 EGEELO C=C(C)C(C)(C)C(=O)NCC1([NH2+]Cc2nc(C(C)C)ns2)CC1 ZINC001699659469 1413042567 /nfs/dbraw/zinc/04/25/67/1413042567.db2.gz RQTQSYURIGNFPL-UHFFFAOYSA-N 1 2 336.505 3.002 10 30 EGEELO CC#CCCCC(=O)NCC1([NH2+][C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC001699660211 1413043820 /nfs/dbraw/zinc/04/38/20/1413043820.db2.gz QDLODPISGUXQRJ-HNNXBMFYSA-N 1 2 345.487 3.465 10 30 EGEELO C#CCN(C(=O)CC1CCC1)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001699780540 1413187593 /nfs/dbraw/zinc/18/75/93/1413187593.db2.gz URSMFLXHECJVHA-QINSGFPZSA-N 1 2 343.298 3.422 10 30 EGEELO C#CCN(C(=O)CC[C@H](C)CC)C1CC[NH+](Cc2nccs2)CC1 ZINC001699785429 1413190384 /nfs/dbraw/zinc/19/03/84/1413190384.db2.gz ODWRCHRFUWCLLO-MRXNPFEDSA-N 1 2 347.528 3.396 10 30 EGEELO C#CCCCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001699872883 1413324320 /nfs/dbraw/zinc/32/43/20/1413324320.db2.gz VFIZNBNSTNLRJX-HXUWFJFHSA-N 1 2 343.471 3.074 10 30 EGEELO C#CCCCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001699872883 1413324325 /nfs/dbraw/zinc/32/43/25/1413324325.db2.gz VFIZNBNSTNLRJX-HXUWFJFHSA-N 1 2 343.471 3.074 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)CC1(C)C ZINC001700291679 1413745289 /nfs/dbraw/zinc/74/52/89/1413745289.db2.gz YYBVFANCMDFLLA-HOTGVXAUSA-N 1 2 333.476 3.302 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)CC1(C)C ZINC001700291679 1413745290 /nfs/dbraw/zinc/74/52/90/1413745290.db2.gz YYBVFANCMDFLLA-HOTGVXAUSA-N 1 2 333.476 3.302 10 30 EGEELO C[C@H]1C[C@@H](NC(=O)CC2(C)CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001700315460 1413772900 /nfs/dbraw/zinc/77/29/00/1413772900.db2.gz HSPMMCWOJDOUEC-KSSFIOAISA-N 1 2 343.446 3.357 10 30 EGEELO C[C@H]1C[C@@H](NC(=O)CC2(C)CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001700315460 1413772901 /nfs/dbraw/zinc/77/29/01/1413772901.db2.gz HSPMMCWOJDOUEC-KSSFIOAISA-N 1 2 343.446 3.357 10 30 EGEELO C=CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1nocc1C)c1ccccc1 ZINC001700488625 1414139261 /nfs/dbraw/zinc/13/92/61/1414139261.db2.gz BQRLIBROJAVHLA-FUHWJXTLSA-N 1 2 341.455 3.279 10 30 EGEELO C=CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1nocc1C)c1ccccc1 ZINC001700488625 1414139262 /nfs/dbraw/zinc/13/92/62/1414139262.db2.gz BQRLIBROJAVHLA-FUHWJXTLSA-N 1 2 341.455 3.279 10 30 EGEELO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)CC1(C)CCCC1 ZINC001732580477 1428785249 /nfs/dbraw/zinc/78/52/49/1428785249.db2.gz GHPKGVNVXCTUOW-UHFFFAOYSA-N 1 2 327.472 3.419 10 30 EGEELO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)CC1(C)CCCC1 ZINC001732580477 1428785256 /nfs/dbraw/zinc/78/52/56/1428785256.db2.gz GHPKGVNVXCTUOW-UHFFFAOYSA-N 1 2 327.472 3.419 10 30 EGEELO C=CCCC(=O)N[C@H](C)C1C[NH+](Cc2nc(-c3ccco3)oc2C)C1 ZINC001700532297 1414198991 /nfs/dbraw/zinc/19/89/91/1414198991.db2.gz YOBSHVHMQFYURC-CYBMUJFWSA-N 1 2 343.427 3.146 10 30 EGEELO C#CCCCC(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)c2F)C1 ZINC001700537663 1414204772 /nfs/dbraw/zinc/20/47/72/1414204772.db2.gz NBXRFTYIPKWHMK-CYBMUJFWSA-N 1 2 336.838 3.219 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC001700547703 1414216409 /nfs/dbraw/zinc/21/64/09/1414216409.db2.gz FBDLKDNHKRNSAZ-CYBMUJFWSA-N 1 2 335.879 3.274 10 30 EGEELO CC#CCCCC(=O)N[C@H]1C[N@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC001700573554 1414245660 /nfs/dbraw/zinc/24/56/60/1414245660.db2.gz ZDYDLNRYEAXHIF-INIZCTEOSA-N 1 2 347.890 3.255 10 30 EGEELO CC#CCCCC(=O)N[C@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC001700573554 1414245661 /nfs/dbraw/zinc/24/56/61/1414245661.db2.gz ZDYDLNRYEAXHIF-INIZCTEOSA-N 1 2 347.890 3.255 10 30 EGEELO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2ccccc2F)C(C)(C)C1 ZINC001700579165 1414256419 /nfs/dbraw/zinc/25/64/19/1414256419.db2.gz SYEZFKIRTZSRLD-MRXNPFEDSA-N 1 2 338.854 3.337 10 30 EGEELO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2ccccc2F)C(C)(C)C1 ZINC001700579165 1414256421 /nfs/dbraw/zinc/25/64/21/1414256421.db2.gz SYEZFKIRTZSRLD-MRXNPFEDSA-N 1 2 338.854 3.337 10 30 EGEELO C[C@H]1CCC[C@H]1CC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001732583146 1428793226 /nfs/dbraw/zinc/79/32/26/1428793226.db2.gz MYFHIZFBMWKHPY-RDJZCZTQSA-N 1 2 345.462 3.414 10 30 EGEELO C[C@H]1CCC[C@H]1CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001732583146 1428793229 /nfs/dbraw/zinc/79/32/29/1428793229.db2.gz MYFHIZFBMWKHPY-RDJZCZTQSA-N 1 2 345.462 3.414 10 30 EGEELO C#CCCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1nc(C)c(C)s1 ZINC001707045771 1417157410 /nfs/dbraw/zinc/15/74/10/1417157410.db2.gz BRVTZOSRDCCUGU-QGZVFWFLSA-N 1 2 347.528 3.376 10 30 EGEELO C#CCCCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1nc(C)c(C)s1 ZINC001707045771 1417157414 /nfs/dbraw/zinc/15/74/14/1417157414.db2.gz BRVTZOSRDCCUGU-QGZVFWFLSA-N 1 2 347.528 3.376 10 30 EGEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C1CCCCCCC1)C2 ZINC001707274480 1417280924 /nfs/dbraw/zinc/28/09/24/1417280924.db2.gz HZCZEUDJQWYHEP-UHFFFAOYSA-N 1 2 345.512 3.111 10 30 EGEELO C=CCCC(=O)N(C)C1CC[NH+]([C@@H](C)c2nnc(CC(C)C)o2)CC1 ZINC001713051412 1417602697 /nfs/dbraw/zinc/60/26/97/1417602697.db2.gz JBIMUCUJCQRMLZ-HNNXBMFYSA-N 1 2 348.491 3.218 10 30 EGEELO C=C[C@](C)(CC)C(=O)N(C)C1CC[NH+]([C@H](C)c2nc(CC)no2)CC1 ZINC001713056239 1417608975 /nfs/dbraw/zinc/60/89/75/1417608975.db2.gz TYVUMHMHRMBIHH-AUUYWEPGSA-N 1 2 348.491 3.218 10 30 EGEELO C=C1CCC(C(=O)N(C)CCC[NH2+]Cc2noc(C3CCC3)n2)CC1 ZINC001733122968 1429251502 /nfs/dbraw/zinc/25/15/02/1429251502.db2.gz CVCJPDWOZUVOBH-UHFFFAOYSA-N 1 2 346.475 3.022 10 30 EGEELO C#CCC1(C(=O)NCC2C[NH+](CC=C(Cl)Cl)C2)CCCCC1 ZINC001713926483 1418718622 /nfs/dbraw/zinc/71/86/22/1418718622.db2.gz LRAGDXJTZBWHTP-UHFFFAOYSA-N 1 2 343.298 3.327 10 30 EGEELO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C(C)C)no1 ZINC001713971858 1418750540 /nfs/dbraw/zinc/75/05/40/1418750540.db2.gz CGEXGYPPBIQSPC-GOOCMWNKSA-N 1 2 346.475 3.017 10 30 EGEELO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C(C)C)no1 ZINC001713971858 1418750542 /nfs/dbraw/zinc/75/05/42/1418750542.db2.gz CGEXGYPPBIQSPC-GOOCMWNKSA-N 1 2 346.475 3.017 10 30 EGEELO C=C1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC001714270806 1419051522 /nfs/dbraw/zinc/05/15/22/1419051522.db2.gz VMJBDYUTPDBSDK-KBPBESRZSA-N 1 2 348.491 3.269 10 30 EGEELO C[N@H+](CCNC(=O)CC1CC(C)(C)C1)Cc1cc(C#N)ccc1F ZINC001714555687 1419283292 /nfs/dbraw/zinc/28/32/92/1419283292.db2.gz KQMFCZXHWQBFMK-UHFFFAOYSA-N 1 2 331.435 3.072 10 30 EGEELO C[N@@H+](CCNC(=O)CC1CC(C)(C)C1)Cc1cc(C#N)ccc1F ZINC001714555687 1419283295 /nfs/dbraw/zinc/28/32/95/1419283295.db2.gz KQMFCZXHWQBFMK-UHFFFAOYSA-N 1 2 331.435 3.072 10 30 EGEELO C[C@@H]1CCC[C@]1(C)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001714559184 1419287574 /nfs/dbraw/zinc/28/75/74/1419287574.db2.gz UBVQMPTWEYVHIJ-KUHUBIRLSA-N 1 2 331.435 3.072 10 30 EGEELO C[C@@H]1CCC[C@]1(C)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001714559184 1419287575 /nfs/dbraw/zinc/28/75/75/1419287575.db2.gz UBVQMPTWEYVHIJ-KUHUBIRLSA-N 1 2 331.435 3.072 10 30 EGEELO C=C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C)o1)c1ccccc1 ZINC001714622666 1419390651 /nfs/dbraw/zinc/39/06/51/1419390651.db2.gz LNMBNJKTILTFAH-ZWKOTPCHSA-N 1 2 339.439 3.033 10 30 EGEELO C=C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C)o1)c1ccccc1 ZINC001714622666 1419390653 /nfs/dbraw/zinc/39/06/53/1419390653.db2.gz LNMBNJKTILTFAH-ZWKOTPCHSA-N 1 2 339.439 3.033 10 30 EGEELO CCC[N@H+](CCNC(=O)C#CC(C)(C)C)Cc1ccncc1Cl ZINC001714652854 1419431067 /nfs/dbraw/zinc/43/10/67/1419431067.db2.gz FEBIDTZYYZBTGO-UHFFFAOYSA-N 1 2 335.879 3.113 10 30 EGEELO CCC[N@@H+](CCNC(=O)C#CC(C)(C)C)Cc1ccncc1Cl ZINC001714652854 1419431077 /nfs/dbraw/zinc/43/10/77/1419431077.db2.gz FEBIDTZYYZBTGO-UHFFFAOYSA-N 1 2 335.879 3.113 10 30 EGEELO C=CC(C)(C)CC(=O)NCC[N@H+](Cc1cnc(Cl)s1)C1CC1 ZINC001714666273 1419454739 /nfs/dbraw/zinc/45/47/39/1419454739.db2.gz KAKGPULVLVMKLI-UHFFFAOYSA-N 1 2 341.908 3.479 10 30 EGEELO C=CC(C)(C)CC(=O)NCC[N@@H+](Cc1cnc(Cl)s1)C1CC1 ZINC001714666273 1419454740 /nfs/dbraw/zinc/45/47/40/1419454740.db2.gz KAKGPULVLVMKLI-UHFFFAOYSA-N 1 2 341.908 3.479 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001714854885 1419568725 /nfs/dbraw/zinc/56/87/25/1419568725.db2.gz HSWSWJRQYBIDQE-WMZOPIPTSA-N 1 2 348.874 3.056 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001714854885 1419568727 /nfs/dbraw/zinc/56/87/27/1419568727.db2.gz HSWSWJRQYBIDQE-WMZOPIPTSA-N 1 2 348.874 3.056 10 30 EGEELO C=C(Cl)C[NH+]1CC(CNC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001714970358 1419706031 /nfs/dbraw/zinc/70/60/31/1419706031.db2.gz UZFZTFWIEZZVDE-UHFFFAOYSA-N 1 2 332.875 3.371 10 30 EGEELO C=C1CC(C)(C(=O)NCC2C[NH+](Cc3nsc4ccccc43)C2)C1 ZINC001714973013 1419707584 /nfs/dbraw/zinc/70/75/84/1419707584.db2.gz AOBOWJCOXATUMQ-UHFFFAOYSA-N 1 2 341.480 3.201 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C(C)C)n1 ZINC001733226413 1429354047 /nfs/dbraw/zinc/35/40/47/1429354047.db2.gz QJYNSOGLCHDKTL-YLJYHZDGSA-N 1 2 329.488 3.498 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C(C)C)n1 ZINC001733226413 1429354052 /nfs/dbraw/zinc/35/40/52/1429354052.db2.gz QJYNSOGLCHDKTL-YLJYHZDGSA-N 1 2 329.488 3.498 10 30 EGEELO C=CC(C)(C)CC(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001715038481 1419775289 /nfs/dbraw/zinc/77/52/89/1419775289.db2.gz KXHNCKHXAOTXDI-HOTGVXAUSA-N 1 2 330.476 3.063 10 30 EGEELO C=CC(C)(C)CC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001715038481 1419775293 /nfs/dbraw/zinc/77/52/93/1419775293.db2.gz KXHNCKHXAOTXDI-HOTGVXAUSA-N 1 2 330.476 3.063 10 30 EGEELO C=C(C)C(C)(C)C(=O)NCc1ccc(C[NH2+]Cc2coc(C)n2)cc1 ZINC001715198894 1419930374 /nfs/dbraw/zinc/93/03/74/1419930374.db2.gz WJTBAEZMMJVUAB-UHFFFAOYSA-N 1 2 341.455 3.491 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC001716492242 1420714295 /nfs/dbraw/zinc/71/42/95/1420714295.db2.gz ZSCMYZNAMYVVQF-GJZGRUSLSA-N 1 2 333.476 3.092 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC001716492242 1420714297 /nfs/dbraw/zinc/71/42/97/1420714297.db2.gz ZSCMYZNAMYVVQF-GJZGRUSLSA-N 1 2 333.476 3.092 10 30 EGEELO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)Oc1cccc(C)c1 ZINC001716497266 1420721702 /nfs/dbraw/zinc/72/17/02/1420721702.db2.gz BQHKFNXAAKYDDJ-NVXWUHKLSA-N 1 2 338.879 3.341 10 30 EGEELO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)Oc1cccc(C)c1 ZINC001716497266 1420721704 /nfs/dbraw/zinc/72/17/04/1420721704.db2.gz BQHKFNXAAKYDDJ-NVXWUHKLSA-N 1 2 338.879 3.341 10 30 EGEELO N#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001733276370 1429440999 /nfs/dbraw/zinc/44/09/99/1429440999.db2.gz DGPPZIZYKFMEFD-BCDXTJNWSA-N 1 2 329.488 3.039 10 30 EGEELO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001733276370 1429441002 /nfs/dbraw/zinc/44/10/02/1429441002.db2.gz DGPPZIZYKFMEFD-BCDXTJNWSA-N 1 2 329.488 3.039 10 30 EGEELO C[C@@H](C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1)c1ccccc1 ZINC001733276702 1429441730 /nfs/dbraw/zinc/44/17/30/1429441730.db2.gz LCLUSXXCPWJTPY-MRXNPFEDSA-N 1 2 325.456 3.017 10 30 EGEELO C[C@@H](C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1)c1ccccc1 ZINC001733276702 1429441732 /nfs/dbraw/zinc/44/17/32/1429441732.db2.gz LCLUSXXCPWJTPY-MRXNPFEDSA-N 1 2 325.456 3.017 10 30 EGEELO CC#CCCCC(=O)NC1(C)CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001716797236 1420930048 /nfs/dbraw/zinc/93/00/48/1420930048.db2.gz KYNNUNWFAFGENC-OWBHPGMISA-N 1 2 331.287 3.470 10 30 EGEELO C=C[C@](C)(CC)C(=O)NCC1(C)CC[NH+]([C@@H](C)c2noc(C)n2)CC1 ZINC001716887514 1421011168 /nfs/dbraw/zinc/01/11/68/1421011168.db2.gz PICYTCGMKAIZCK-IFXJQAMLSA-N 1 2 348.491 3.260 10 30 EGEELO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1oc(C)nc1C ZINC001733283715 1429455972 /nfs/dbraw/zinc/45/59/72/1429455972.db2.gz ZNPDOPJKHZCSIF-CALCHBBNSA-N 1 2 331.460 3.213 10 30 EGEELO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1oc(C)nc1C ZINC001733283715 1429455975 /nfs/dbraw/zinc/45/59/75/1429455975.db2.gz ZNPDOPJKHZCSIF-CALCHBBNSA-N 1 2 331.460 3.213 10 30 EGEELO CC[C@H](F)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001717243688 1421213512 /nfs/dbraw/zinc/21/35/12/1421213512.db2.gz JLPDAYHHGFPSKG-OALUTQOASA-N 1 2 344.474 3.327 10 30 EGEELO CC[C@H](F)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001717243688 1421213513 /nfs/dbraw/zinc/21/35/13/1421213513.db2.gz JLPDAYHHGFPSKG-OALUTQOASA-N 1 2 344.474 3.327 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2nnc(CC)o2)CC1(C)C ZINC001717310979 1421254663 /nfs/dbraw/zinc/25/46/63/1421254663.db2.gz QWQGDJGSMXYTLP-KGLIPLIRSA-N 1 2 348.491 3.122 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2nnc(CC)o2)CC1(C)C ZINC001717310979 1421254665 /nfs/dbraw/zinc/25/46/65/1421254665.db2.gz QWQGDJGSMXYTLP-KGLIPLIRSA-N 1 2 348.491 3.122 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2nccc(C)n2)CC1(C)C ZINC001717312637 1421257966 /nfs/dbraw/zinc/25/79/66/1421257966.db2.gz YNTLRXULISIJJE-MRXNPFEDSA-N 1 2 344.503 3.104 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2nccc(C)n2)CC1(C)C ZINC001717312637 1421257968 /nfs/dbraw/zinc/25/79/68/1421257968.db2.gz YNTLRXULISIJJE-MRXNPFEDSA-N 1 2 344.503 3.104 10 30 EGEELO CCCc1nc(C[N@@H+]2CC[C@@H](NC(=O)C#CC(C)C)C[C@@H]2C)cs1 ZINC001717329135 1421264454 /nfs/dbraw/zinc/26/44/54/1421264454.db2.gz ZNAOJJWVZZNMRK-JKSUJKDBSA-N 1 2 347.528 3.224 10 30 EGEELO CCCc1nc(C[N@H+]2CC[C@@H](NC(=O)C#CC(C)C)C[C@@H]2C)cs1 ZINC001717329135 1421264463 /nfs/dbraw/zinc/26/44/63/1421264463.db2.gz ZNAOJJWVZZNMRK-JKSUJKDBSA-N 1 2 347.528 3.224 10 30 EGEELO C#CCCCCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC001717364394 1421299612 /nfs/dbraw/zinc/29/96/12/1421299612.db2.gz APAMVHQSHYQINT-IBGZPJMESA-N 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EGEELO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC1(C)C ZINC001733933940 1437747770 /nfs/dbraw/zinc/74/77/70/1437747770.db2.gz SQUICVKOIFZLDK-KGLIPLIRSA-N 1 2 343.309 3.254 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](C)Cc1nc2ccccc2n1C ZINC001734047968 1437836805 /nfs/dbraw/zinc/83/68/05/1437836805.db2.gz HGSRLIGZXNXRDC-FOIQADDNSA-N 1 2 342.487 3.112 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](C)Cc1nc2ccccc2n1C ZINC001734047968 1437836807 /nfs/dbraw/zinc/83/68/07/1437836807.db2.gz HGSRLIGZXNXRDC-FOIQADDNSA-N 1 2 342.487 3.112 10 30 EGEELO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1sc(C(C)C)nc1C ZINC001734063646 1437858487 /nfs/dbraw/zinc/85/84/87/1437858487.db2.gz AHIIUAALQDLAHW-NSHDSACASA-N 1 2 329.897 3.378 10 30 EGEELO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1sc(C(C)C)nc1C ZINC001734063646 1437858490 /nfs/dbraw/zinc/85/84/90/1437858490.db2.gz AHIIUAALQDLAHW-NSHDSACASA-N 1 2 329.897 3.378 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@@H](C)C1C[NH+](Cc2noc3c2CCCC3)C1 ZINC001734112074 1437896571 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CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000107064074 454739846 /nfs/dbraw/zinc/73/98/46/454739846.db2.gz QIQNWNILHMVHLR-YVEFUNNKSA-N 1 2 339.842 3.354 10 30 EGEELO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000107064074 454739852 /nfs/dbraw/zinc/73/98/52/454739852.db2.gz QIQNWNILHMVHLR-YVEFUNNKSA-N 1 2 339.842 3.354 10 30 EGEELO O[C@]1(C(F)(F)F)CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177270984 454845456 /nfs/dbraw/zinc/84/54/56/454845456.db2.gz LLJNTQBCFSJCHF-CYBMUJFWSA-N 1 2 337.263 3.056 10 30 EGEELO O[C@]1(C(F)(F)F)CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177270984 454845458 /nfs/dbraw/zinc/84/54/58/454845458.db2.gz LLJNTQBCFSJCHF-CYBMUJFWSA-N 1 2 337.263 3.056 10 30 EGEELO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@H]2CCCc3c2cnn3C)CC1 ZINC000170602826 454939291 /nfs/dbraw/zinc/93/92/91/454939291.db2.gz QUSPEJMTMOXGFE-IERDGZPVSA-N 1 2 349.482 3.048 10 30 EGEELO C[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000180537019 455191860 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Cc1ncc(C[NH+]2CCN([C@@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000186284687 455733408 /nfs/dbraw/zinc/73/34/08/455733408.db2.gz OSPYSCBWUZLFER-AWEZNQCLSA-N 1 2 326.469 3.202 10 30 EGEELO C[C@H]1C[N@H+](CCOCCC#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000293554006 455789653 /nfs/dbraw/zinc/78/96/53/455789653.db2.gz LMAZZSWVBXANAR-BBRMVZONSA-N 1 2 342.361 3.397 10 30 EGEELO C[C@H]1C[N@@H+](CCOCCC#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000293554006 455789658 /nfs/dbraw/zinc/78/96/58/455789658.db2.gz LMAZZSWVBXANAR-BBRMVZONSA-N 1 2 342.361 3.397 10 30 EGEELO N#CCCOCC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000294397336 455813395 /nfs/dbraw/zinc/81/33/95/455813395.db2.gz CIQRMLNUQNJIEA-HNNXBMFYSA-N 1 2 328.334 3.009 10 30 EGEELO N#CCCOCC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000294397336 455813400 /nfs/dbraw/zinc/81/34/00/455813400.db2.gz CIQRMLNUQNJIEA-HNNXBMFYSA-N 1 2 328.334 3.009 10 30 EGEELO C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000279789078 455873841 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N#Cc1ccc(F)c(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000340237588 456331811 /nfs/dbraw/zinc/33/18/11/456331811.db2.gz OSIDDQSXQZSXKS-KBXCAEBGSA-N 1 2 332.325 3.283 10 30 EGEELO COc1ccc(Br)cc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352820361 456336104 /nfs/dbraw/zinc/33/61/04/456336104.db2.gz CNGNAKORUDOSNB-UHFFFAOYSA-N 1 2 338.230 3.076 10 30 EGEELO N#Cc1csc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)n1 ZINC000352841564 456356536 /nfs/dbraw/zinc/35/65/36/456356536.db2.gz UBLBSPZZTITHFN-UHFFFAOYSA-N 1 2 335.379 3.088 10 30 EGEELO COc1cc(Br)ccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352853702 456364804 /nfs/dbraw/zinc/36/48/04/456364804.db2.gz NMLNSNJRKSPWJE-UHFFFAOYSA-N 1 2 338.230 3.076 10 30 EGEELO Cc1ccc(NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)nc1C#N ZINC000302616994 456365399 /nfs/dbraw/zinc/36/53/99/456365399.db2.gz GBOWOQHJOCABEE-ZBFHGGJFSA-N 1 2 342.468 3.197 10 30 EGEELO Cc1ccc(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)nc1C#N ZINC000302616994 456365402 /nfs/dbraw/zinc/36/54/02/456365402.db2.gz 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CC(C)Cn1cc[nH+]c1CNC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000330469980 457047630 /nfs/dbraw/zinc/04/76/30/457047630.db2.gz LYYYODBNMUNDEN-UHFFFAOYSA-N 1 2 330.354 3.148 10 30 EGEELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NCCCC#N)CC1 ZINC000330825947 457090313 /nfs/dbraw/zinc/09/03/13/457090313.db2.gz HKMDGJVUTHDSPT-AWEZNQCLSA-N 1 2 334.851 3.236 10 30 EGEELO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000350115358 457166223 /nfs/dbraw/zinc/16/62/23/457166223.db2.gz AJMSNGAMGDQHIF-QGZVFWFLSA-N 1 2 341.842 3.428 10 30 EGEELO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000347037313 457197977 /nfs/dbraw/zinc/19/79/77/457197977.db2.gz SXPTUKFCEQMLMH-LLVKDONJSA-N 1 2 349.221 3.483 10 30 EGEELO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000347037313 457197984 /nfs/dbraw/zinc/19/79/84/457197984.db2.gz SXPTUKFCEQMLMH-LLVKDONJSA-N 1 2 349.221 3.483 10 30 EGEELO C=CCCC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000360699962 457326491 /nfs/dbraw/zinc/32/64/91/457326491.db2.gz QTUXSEWAXMKOLH-WMLDXEAASA-N 1 2 326.362 3.322 10 30 EGEELO C=CCCC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000360699962 457326498 /nfs/dbraw/zinc/32/64/98/457326498.db2.gz QTUXSEWAXMKOLH-WMLDXEAASA-N 1 2 326.362 3.322 10 30 EGEELO CC(C)(C#N)c1ccccc1C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000370073758 457529862 /nfs/dbraw/zinc/52/98/62/457529862.db2.gz QSNSCCUPPVGKAS-SFHVURJKSA-N 1 2 331.423 3.485 10 30 EGEELO C=C(C)C[C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000375130109 457803602 /nfs/dbraw/zinc/80/36/02/457803602.db2.gz YLVSJUZCSPMKET-PBHICJAKSA-N 1 2 327.428 3.237 10 30 EGEELO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](C)[C@H](C)O1 ZINC000446068463 458137214 /nfs/dbraw/zinc/13/72/14/458137214.db2.gz CWGPNWJMUFKOHO-MCIONIFRSA-N 1 2 327.346 3.434 10 30 EGEELO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](C)[C@H](C)O1 ZINC000446068463 458137220 /nfs/dbraw/zinc/13/72/20/458137220.db2.gz CWGPNWJMUFKOHO-MCIONIFRSA-N 1 2 327.346 3.434 10 30 EGEELO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)CCO2)c1 ZINC000369475889 458229311 /nfs/dbraw/zinc/22/93/11/458229311.db2.gz HEGNZLDTYRDDNO-LJQANCHMSA-N 1 2 334.379 3.115 10 30 EGEELO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CCO2)c1 ZINC000369475889 458229318 /nfs/dbraw/zinc/22/93/18/458229318.db2.gz HEGNZLDTYRDDNO-LJQANCHMSA-N 1 2 334.379 3.115 10 30 EGEELO Cc1oc(C#N)cc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000436151688 458260632 /nfs/dbraw/zinc/26/06/32/458260632.db2.gz HLXMPKNTHPPHQU-LJQANCHMSA-N 1 2 348.406 3.444 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CCC#N)CC(C)(C)C)C2 ZINC000369639725 458299227 /nfs/dbraw/zinc/29/92/27/458299227.db2.gz NOILADQGENEFPF-AWEZNQCLSA-N 1 2 330.476 3.426 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)CC2 ZINC000369639725 458299231 /nfs/dbraw/zinc/29/92/31/458299231.db2.gz NOILADQGENEFPF-AWEZNQCLSA-N 1 2 330.476 3.426 10 30 EGEELO C=CCOC[C@H]([NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1)C(=O)OC ZINC000449297203 458422839 /nfs/dbraw/zinc/42/28/39/458422839.db2.gz BQDBXAPDNIEXAA-XIRDDKMYSA-N 1 2 337.847 3.310 10 30 EGEELO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000449669631 458428846 /nfs/dbraw/zinc/42/88/46/458428846.db2.gz WABRCIFPXVFBLR-LBPRGKRZSA-N 1 2 329.341 3.013 10 30 EGEELO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000449669631 458428847 /nfs/dbraw/zinc/42/88/47/458428847.db2.gz WABRCIFPXVFBLR-LBPRGKRZSA-N 1 2 329.341 3.013 10 30 EGEELO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)nc1 ZINC000377124253 458468923 /nfs/dbraw/zinc/46/89/23/458468923.db2.gz DMACDQJFQWARAS-MOPGFXCFSA-N 1 2 335.407 3.140 10 30 EGEELO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)nc1 ZINC000377124253 458468928 /nfs/dbraw/zinc/46/89/28/458468928.db2.gz DMACDQJFQWARAS-MOPGFXCFSA-N 1 2 335.407 3.140 10 30 EGEELO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)nc1 ZINC000377124256 458469199 /nfs/dbraw/zinc/46/91/99/458469199.db2.gz DMACDQJFQWARAS-RTBURBONSA-N 1 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ZINC000502878465 458675787 /nfs/dbraw/zinc/67/57/87/458675787.db2.gz SBSBKADEISJCTL-HXUWFJFHSA-N 1 2 337.398 3.376 10 30 EGEELO CN(C[C@@H](C#N)CCC#N)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000512511635 458785810 /nfs/dbraw/zinc/78/58/10/458785810.db2.gz JTDGDXZRMDEQOA-PMPSAXMXSA-N 1 2 334.464 3.036 10 30 EGEELO CN(C[C@@H](C#N)CCC#N)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000512511635 458785817 /nfs/dbraw/zinc/78/58/17/458785817.db2.gz JTDGDXZRMDEQOA-PMPSAXMXSA-N 1 2 334.464 3.036 10 30 EGEELO C=CCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000466808692 458925639 /nfs/dbraw/zinc/92/56/39/458925639.db2.gz GHKBPEZBMHIECW-JKSUJKDBSA-N 1 2 339.842 3.442 10 30 EGEELO C=CCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000466808692 458925644 /nfs/dbraw/zinc/92/56/44/458925644.db2.gz GHKBPEZBMHIECW-JKSUJKDBSA-N 1 2 339.842 3.442 10 30 EGEELO C=CCCN(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000467083903 458951025 /nfs/dbraw/zinc/95/10/25/458951025.db2.gz IDFYPOJXYKPMKZ-GOSISDBHSA-N 1 2 326.444 3.459 10 30 EGEELO CC(C)(C#N)c1ccc(C[NH2+]Cc2n[nH]cc2Br)cc1 ZINC000594513390 459071068 /nfs/dbraw/zinc/07/10/68/459071068.db2.gz NLXKWFJDLKFKIZ-UHFFFAOYSA-N 1 2 333.233 3.263 10 30 EGEELO COc1cc(CNc2[nH+]c3cc(Cl)ccc3n2C)ccc1C#N ZINC000443060890 459081678 /nfs/dbraw/zinc/08/16/78/459081678.db2.gz PZVZRVJMWAMVKG-UHFFFAOYSA-N 1 2 326.787 3.141 10 30 EGEELO COC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594616272 459116206 /nfs/dbraw/zinc/11/62/06/459116206.db2.gz ZOHFNQHBNVXRCC-IBGZPJMESA-N 1 2 336.435 3.362 10 30 EGEELO Cn1cc(Br)c(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594959513 459193871 /nfs/dbraw/zinc/19/38/71/459193871.db2.gz RIJYIQFWOFQDEH-UHFFFAOYSA-N 1 2 345.244 3.028 10 30 EGEELO COc1cc(C[NH2+]CC2(C#N)CCCCC2)c([N+](=O)[O-])cc1OC ZINC000594994833 459208552 /nfs/dbraw/zinc/20/85/52/459208552.db2.gz MXPHTRJTPVNZIY-UHFFFAOYSA-N 1 2 333.388 3.176 10 30 EGEELO Cc1cn2c([nH+]1)CN(C(=O)N[C@H](CCCC#N)c1ccccc1)CC2 ZINC000590942218 459277967 /nfs/dbraw/zinc/27/79/67/459277967.db2.gz NQDLTHWXWIOKOH-QGZVFWFLSA-N 1 2 337.427 3.152 10 30 EGEELO Cc1cc[nH+]c(N2CCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)c1 ZINC000595357332 459282755 /nfs/dbraw/zinc/28/27/55/459282755.db2.gz ZVYSAQROQPKJLT-KRWDZBQOSA-N 1 2 326.831 3.430 10 30 EGEELO N#Cc1cc(Br)ccc1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000568601280 459314129 /nfs/dbraw/zinc/31/41/29/459314129.db2.gz JAGFNLZOIMYLCA-HNNXBMFYSA-N 1 2 335.245 3.200 10 30 EGEELO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000568601280 459314137 /nfs/dbraw/zinc/31/41/37/459314137.db2.gz JAGFNLZOIMYLCA-HNNXBMFYSA-N 1 2 335.245 3.200 10 30 EGEELO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487175574 459526674 /nfs/dbraw/zinc/52/66/74/459526674.db2.gz VOVODFIGPOJTOE-UHFFFAOYSA-N 1 2 344.361 3.282 10 30 EGEELO COc1cc(C#N)ccc1OCC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487175574 459526680 /nfs/dbraw/zinc/52/66/80/459526680.db2.gz VOVODFIGPOJTOE-UHFFFAOYSA-N 1 2 344.361 3.282 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CCOCC1 ZINC000570339931 459554646 /nfs/dbraw/zinc/55/46/46/459554646.db2.gz BSHAMIAXQZKGBN-QAQDUYKDSA-N 1 2 343.471 3.294 10 30 EGEELO N#C[C@H]1CC[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000562463413 459566522 /nfs/dbraw/zinc/56/65/22/459566522.db2.gz JFJKOXAKPRGQRC-GXFFZTMASA-N 1 2 346.232 3.016 10 30 EGEELO Cn1c[nH+]cc1Cc1noc(-c2ccc(C#Cc3ccccc3)cc2)n1 ZINC000545141388 459802348 /nfs/dbraw/zinc/80/23/48/459802348.db2.gz LLVMXYKIHRFUTF-UHFFFAOYSA-N 1 2 340.386 3.461 10 30 EGEELO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)CCC1 ZINC000574423497 459817928 /nfs/dbraw/zinc/81/79/28/459817928.db2.gz IBJCBXJBCPRTJN-MRXNPFEDSA-N 1 2 331.847 3.429 10 30 EGEELO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)CCC1 ZINC000574423497 459817933 /nfs/dbraw/zinc/81/79/33/459817933.db2.gz IBJCBXJBCPRTJN-MRXNPFEDSA-N 1 2 331.847 3.429 10 30 EGEELO C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[C@](C)(C#N)C1 ZINC000585816003 459855495 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C=CCCC[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccccc1 ZINC000921643514 1322369345 /nfs/dbraw/zinc/36/93/45/1322369345.db2.gz DRBBAORGEHCBBU-KEEQEYLASA-N 1 2 328.456 3.089 10 30 EGEELO CC[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cccc(C#N)c1O ZINC000924929837 1323217332 /nfs/dbraw/zinc/21/73/32/1323217332.db2.gz CXGMLIOEGCOOGE-ZDUSSCGKSA-N 1 2 338.333 3.264 10 30 EGEELO CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(C#N)c1O ZINC000925274809 1325110107 /nfs/dbraw/zinc/11/01/07/1325110107.db2.gz DNEZETVNPNNQBC-WMZOPIPTSA-N 1 2 341.455 3.096 10 30 EGEELO CC[C@H]([NH2+]Cc1ccc(CNC(C)=O)cc1)c1cccc(C#N)c1O ZINC000926680528 1327662617 /nfs/dbraw/zinc/66/26/17/1327662617.db2.gz GKRULESMWPLEAP-IBGZPJMESA-N 1 2 337.423 3.141 10 30 EGEELO CC[C@H]([NH2+]Cc1ccccc1CC(=O)OC)c1cccc(C#N)c1O ZINC000926677928 1327663461 /nfs/dbraw/zinc/66/34/61/1327663461.db2.gz IOYJNCBDAJJUEN-SFHVURJKSA-N 1 2 338.407 3.220 10 30 EGEELO CCc1nn(C)c(Cl)c1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000862542639 1329494888 /nfs/dbraw/zinc/49/48/88/1329494888.db2.gz WERJFEAKHGCYMX-UHFFFAOYSA-N 1 2 328.847 3.260 10 30 EGEELO CCc1nn(C)c(Cl)c1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000862542639 1329494889 /nfs/dbraw/zinc/49/48/89/1329494889.db2.gz WERJFEAKHGCYMX-UHFFFAOYSA-N 1 2 328.847 3.260 10 30 EGEELO C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1cccc(C#N)c1O ZINC000866231273 1330081218 /nfs/dbraw/zinc/08/12/18/1330081218.db2.gz VHTCDNTVAAHEFS-HNNXBMFYSA-N 1 2 349.434 3.237 10 30 EGEELO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc2c(c1)CC(=O)N2C ZINC000866256644 1330086374 /nfs/dbraw/zinc/08/63/74/1330086374.db2.gz BBKSUMWSDISHTB-OLZOCXBDSA-N 1 2 335.407 3.195 10 30 EGEELO COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866306728 1330093837 /nfs/dbraw/zinc/09/38/37/1330093837.db2.gz VJNIPUCVCKBMBU-ZDUSSCGKSA-N 1 2 342.395 3.011 10 30 EGEELO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2O)c2ccccc21 ZINC000866310131 1330094191 /nfs/dbraw/zinc/09/41/91/1330094191.db2.gz CTUAHPZEOAPZLY-FZKQIMNGSA-N 1 2 335.407 3.412 10 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ZINC000867182100 1330182387 /nfs/dbraw/zinc/18/23/87/1330182387.db2.gz RSYYPCJGFARVLU-QGZVFWFLSA-N 1 2 340.427 3.188 10 30 EGEELO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(CCCCC#N)n2)C1 ZINC000867182100 1330182388 /nfs/dbraw/zinc/18/23/88/1330182388.db2.gz RSYYPCJGFARVLU-QGZVFWFLSA-N 1 2 340.427 3.188 10 30 EGEELO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869106279 1330414623 /nfs/dbraw/zinc/41/46/23/1330414623.db2.gz DPCHANYXJGWYMQ-MGPUTAFESA-N 1 2 348.450 3.447 10 30 EGEELO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869106279 1330414628 /nfs/dbraw/zinc/41/46/28/1330414628.db2.gz DPCHANYXJGWYMQ-MGPUTAFESA-N 1 2 348.450 3.447 10 30 EGEELO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccon3)CC2(C)C)CC1 ZINC000940997314 1331289414 /nfs/dbraw/zinc/28/94/14/1331289414.db2.gz SQQDABMXBDKEGS-KRWDZBQOSA-N 1 2 331.460 3.138 10 30 EGEELO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccon3)CC2(C)C)CC1 ZINC000940997314 1331289416 /nfs/dbraw/zinc/28/94/16/1331289416.db2.gz SQQDABMXBDKEGS-KRWDZBQOSA-N 1 2 331.460 3.138 10 30 EGEELO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C1(C(F)F)CCCC1 ZINC001323287007 1387323896 /nfs/dbraw/zinc/32/38/96/1387323896.db2.gz KNNQRFBWUASOAX-QGZVFWFLSA-N 1 2 346.421 3.054 10 30 EGEELO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)C1(C(F)F)CCCC1 ZINC001323287007 1387323899 /nfs/dbraw/zinc/32/38/99/1387323899.db2.gz KNNQRFBWUASOAX-QGZVFWFLSA-N 1 2 346.421 3.054 10 30 EGEELO C=CCC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ocnc2C)CCC1 ZINC001323787711 1387451658 /nfs/dbraw/zinc/45/16/58/1387451658.db2.gz HUXHSQLIOCMYBW-CALCHBBNSA-N 1 2 343.471 3.295 10 30 EGEELO C=CCC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ocnc2C)CCC1 ZINC001323787711 1387451661 /nfs/dbraw/zinc/45/16/61/1387451661.db2.gz HUXHSQLIOCMYBW-CALCHBBNSA-N 1 2 343.471 3.295 10 30 EGEELO C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001324926670 1387827569 /nfs/dbraw/zinc/82/75/69/1387827569.db2.gz LCSFVPJZYUOPKU-BBRMVZONSA-N 1 2 343.309 3.159 10 30 EGEELO C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001324926670 1387827571 /nfs/dbraw/zinc/82/75/71/1387827571.db2.gz LCSFVPJZYUOPKU-BBRMVZONSA-N 1 2 343.309 3.159 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001325052193 1387887973 /nfs/dbraw/zinc/88/79/73/1387887973.db2.gz WAPREERPDYFFMG-CYBMUJFWSA-N 1 2 332.822 3.169 10 30 EGEELO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001325052193 1387887978 /nfs/dbraw/zinc/88/79/78/1387887978.db2.gz WAPREERPDYFFMG-CYBMUJFWSA-N 1 2 332.822 3.169 10 30 EGEELO CC#CC[N@@H+](C)Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-] ZINC001194746356 1368316043 /nfs/dbraw/zinc/31/60/43/1368316043.db2.gz SALKGQPBIHYTLX-CQSZACIVSA-N 1 2 334.416 3.483 10 30 EGEELO CC#CC[N@H+](C)Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-] ZINC001194746356 1368316047 /nfs/dbraw/zinc/31/60/47/1368316047.db2.gz SALKGQPBIHYTLX-CQSZACIVSA-N 1 2 334.416 3.483 10 30 EGEELO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001195791224 1368491325 /nfs/dbraw/zinc/49/13/25/1368491325.db2.gz ZSNDGHPPFKDVJB-GOSISDBHSA-N 1 2 337.423 3.480 10 30 EGEELO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001195791224 1368491329 /nfs/dbraw/zinc/49/13/29/1368491329.db2.gz ZSNDGHPPFKDVJB-GOSISDBHSA-N 1 2 337.423 3.480 10 30 EGEELO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC001119788525 1371404337 /nfs/dbraw/zinc/40/43/37/1371404337.db2.gz NTNPEHXAGRSTGI-FQEVSTJZSA-N 1 2 335.407 3.064 10 30 EGEELO CC(=O)Oc1ccc(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC001119788525 1371404339 /nfs/dbraw/zinc/40/43/39/1371404339.db2.gz NTNPEHXAGRSTGI-FQEVSTJZSA-N 1 2 335.407 3.064 10 30 EGEELO O=C(CCCC1CC1)OCC#Cc1csc(C[NH+]2CCOCC2)c1 ZINC001123463052 1372478539 /nfs/dbraw/zinc/47/85/39/1372478539.db2.gz QISVODVZXRCFHI-UHFFFAOYSA-N 1 2 347.480 3.055 10 30 EGEELO CCNc1cc(CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc[nH+]1 ZINC001123621157 1372528405 /nfs/dbraw/zinc/52/84/05/1372528405.db2.gz GHBAZVVDXRWYIU-AWEZNQCLSA-N 1 2 337.427 3.288 10 30 EGEELO C=CCOc1cccc(NC(=O)NCc2cc[nH+]c(NCC)c2)c1 ZINC001214885546 1373135865 /nfs/dbraw/zinc/13/58/65/1373135865.db2.gz DGPLBNUWWKHUKZ-UHFFFAOYSA-N 1 2 326.400 3.400 10 30 EGEELO C=CCC(F)(F)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001129202346 1373360637 /nfs/dbraw/zinc/36/06/37/1373360637.db2.gz XEYQMSDFMIHOLO-UHFFFAOYSA-N 1 2 325.746 3.353 10 30 EGEELO C=CCCCCC[N@H+]1CCOC[C@H]1CNC(=O)c1sccc1C ZINC001326614360 1388259073 /nfs/dbraw/zinc/25/90/73/1388259073.db2.gz ZVSBCPHFSYBSPF-MRXNPFEDSA-N 1 2 336.501 3.234 10 30 EGEELO C=CCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1sccc1C ZINC001326614360 1388259080 /nfs/dbraw/zinc/25/90/80/1388259080.db2.gz ZVSBCPHFSYBSPF-MRXNPFEDSA-N 1 2 336.501 3.234 10 30 EGEELO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](F)CC1CCCCC1 ZINC001326667642 1388273924 /nfs/dbraw/zinc/27/39/24/1388273924.db2.gz OMLJWOFYQNKWIA-QZTJIDSGSA-N 1 2 340.483 3.078 10 30 EGEELO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](F)CC1CCCCC1 ZINC001326667642 1388273927 /nfs/dbraw/zinc/27/39/27/1388273927.db2.gz OMLJWOFYQNKWIA-QZTJIDSGSA-N 1 2 340.483 3.078 10 30 EGEELO CCCCCCCC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001132589144 1375478344 /nfs/dbraw/zinc/47/83/44/1375478344.db2.gz FXMHLAWTSRUQRI-UHFFFAOYSA-N 1 2 340.508 3.269 10 30 EGEELO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001266216698 1377231452 /nfs/dbraw/zinc/23/14/52/1377231452.db2.gz UTDUZACWSBZANI-OAHLLOKOSA-N 1 2 336.838 3.363 10 30 EGEELO C#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001266216698 1377231459 /nfs/dbraw/zinc/23/14/59/1377231459.db2.gz UTDUZACWSBZANI-OAHLLOKOSA-N 1 2 336.838 3.363 10 30 EGEELO COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001266319081 1377271834 /nfs/dbraw/zinc/27/18/34/1377271834.db2.gz GQVJVPSHILATIV-OAHLLOKOSA-N 1 2 348.874 3.089 10 30 EGEELO COc1ccc(Cl)c(C[N@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)c1 ZINC001266319081 1377271835 /nfs/dbraw/zinc/27/18/35/1377271835.db2.gz GQVJVPSHILATIV-OAHLLOKOSA-N 1 2 348.874 3.089 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)c2ccc(OC)cc2)C1 ZINC001266361151 1377296101 /nfs/dbraw/zinc/29/61/01/1377296101.db2.gz IHGNZMUYHRAWRB-RDJZCZTQSA-N 1 2 336.863 3.132 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)c2ccc(OC)cc2)C1 ZINC001266361151 1377296103 /nfs/dbraw/zinc/29/61/03/1377296103.db2.gz IHGNZMUYHRAWRB-RDJZCZTQSA-N 1 2 336.863 3.132 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)C1C[NH+](Cc2cccc(OC)c2C)C1 ZINC001269794014 1377573044 /nfs/dbraw/zinc/57/30/44/1377573044.db2.gz MRGDZABHUVTCBZ-UHFFFAOYSA-N 1 2 330.472 3.249 10 30 EGEELO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H](C)c1ccccc1C)CO2 ZINC001327413728 1388513980 /nfs/dbraw/zinc/51/39/80/1388513980.db2.gz XGNHQNIEMUFLRB-MSOLQXFVSA-N 1 2 342.483 3.024 10 30 EGEELO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@H](CC)CCCC)C2)CC1 ZINC001273374900 1378100586 /nfs/dbraw/zinc/10/05/86/1378100586.db2.gz OLSWGQFGZFCZPC-UXHICEINSA-N 1 2 349.563 3.388 10 30 EGEELO C=CCN(Cc1cccs1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001141315743 1378299091 /nfs/dbraw/zinc/29/90/91/1378299091.db2.gz LRBQJIADJWQXFV-UHFFFAOYSA-N 1 2 339.420 3.468 10 30 EGEELO C#Cc1cccc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC001142211231 1378420370 /nfs/dbraw/zinc/42/03/70/1378420370.db2.gz NEYOCZRIIKUFFK-UHFFFAOYSA-N 1 2 349.459 3.174 10 30 EGEELO C#CCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1csc(C2CC2)n1 ZINC001281931944 1378458407 /nfs/dbraw/zinc/45/84/07/1378458407.db2.gz GOHIDZOAEPXBLK-QGZVFWFLSA-N 1 2 345.512 3.247 10 30 EGEELO C#CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1csc(C2CC2)n1 ZINC001281931944 1378458409 /nfs/dbraw/zinc/45/84/09/1378458409.db2.gz GOHIDZOAEPXBLK-QGZVFWFLSA-N 1 2 345.512 3.247 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC001282734882 1378584758 /nfs/dbraw/zinc/58/47/58/1378584758.db2.gz SQTFAHVXCIOMFP-UONOGXRCSA-N 1 2 335.879 3.274 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2F)CC1(C)C ZINC001282820840 1378627187 /nfs/dbraw/zinc/62/71/87/1378627187.db2.gz FQBKTQNJOVGLHY-GOSISDBHSA-N 1 2 348.437 3.485 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)CC1(C)C ZINC001282820840 1378627188 /nfs/dbraw/zinc/62/71/88/1378627188.db2.gz FQBKTQNJOVGLHY-GOSISDBHSA-N 1 2 348.437 3.485 10 30 EGEELO C#CC[N@H+]1Cc2ccc(CNC(=O)C3(C)CCC(F)(F)CC3)cc2C1 ZINC001327685523 1388581146 /nfs/dbraw/zinc/58/11/46/1388581146.db2.gz PIONKWIRMXLKSF-UHFFFAOYSA-N 1 2 346.421 3.467 10 30 EGEELO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3(C)CCC(F)(F)CC3)cc2C1 ZINC001327685523 1388581148 /nfs/dbraw/zinc/58/11/48/1388581148.db2.gz PIONKWIRMXLKSF-UHFFFAOYSA-N 1 2 346.421 3.467 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cncc(F)c3)[C@H]2C)CCC1 ZINC001284131807 1379514473 /nfs/dbraw/zinc/51/44/73/1379514473.db2.gz NYGFJYCLZKTCPT-YJBOKZPZSA-N 1 2 345.462 3.436 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cncc(F)c3)[C@H]2C)CCC1 ZINC001284131807 1379514482 /nfs/dbraw/zinc/51/44/82/1379514482.db2.gz NYGFJYCLZKTCPT-YJBOKZPZSA-N 1 2 345.462 3.436 10 30 EGEELO C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001285795373 1380519387 /nfs/dbraw/zinc/51/93/87/1380519387.db2.gz HEQZKAVTTUSDLT-WBVHZDCISA-N 1 2 345.487 3.186 10 30 EGEELO C=CCCCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2nc(C)no2)CC1(C)C ZINC001328103308 1388674133 /nfs/dbraw/zinc/67/41/33/1388674133.db2.gz SJHZMKZQNIKDQU-ZFWWWQNUSA-N 1 2 334.464 3.012 10 30 EGEELO C=CCCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2nc(C)no2)CC1(C)C ZINC001328103308 1388674136 /nfs/dbraw/zinc/67/41/36/1388674136.db2.gz SJHZMKZQNIKDQU-ZFWWWQNUSA-N 1 2 334.464 3.012 10 30 EGEELO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)[C@H](C)C1 ZINC001328238562 1388695223 /nfs/dbraw/zinc/69/52/23/1388695223.db2.gz GCPFUTLFKWLNGU-WBVHZDCISA-N 1 2 343.471 3.215 10 30 EGEELO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)[C@H](C)C1 ZINC001328238562 1388695225 /nfs/dbraw/zinc/69/52/25/1388695225.db2.gz GCPFUTLFKWLNGU-WBVHZDCISA-N 1 2 343.471 3.215 10 30 EGEELO CN(CCCNc1ncc(C#N)cc1Br)c1cccc[nH+]1 ZINC001163995915 1383144339 /nfs/dbraw/zinc/14/43/39/1383144339.db2.gz CBYSNZOGLKYNOV-UHFFFAOYSA-N 1 2 346.232 3.049 10 30 EGEELO C=CCCSCCNC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001165657894 1383320553 /nfs/dbraw/zinc/32/05/53/1383320553.db2.gz KSBMVYOEVVBKSC-UHFFFAOYSA-N 1 2 327.453 3.286 10 30 EGEELO COCC#CC[NH+]1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001307880035 1384049135 /nfs/dbraw/zinc/04/91/35/1384049135.db2.gz BPPWOCSETBYMFJ-UHFFFAOYSA-N 1 2 347.673 3.419 10 30 EGEELO C=C(C)C[C@H]([NH2+][C@@H]1CCCc2c(cccc2OC)C1)C(=O)OCC ZINC001308916621 1384159160 /nfs/dbraw/zinc/15/91/60/1384159160.db2.gz BEPFIHQHKVDJSB-AEFFLSMTSA-N 1 2 331.456 3.430 10 30 EGEELO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC001170095269 1384235693 /nfs/dbraw/zinc/23/56/93/1384235693.db2.gz QCLKUKDQRIBJOP-CQSZACIVSA-N 1 2 328.362 3.427 10 30 EGEELO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC001170095269 1384235694 /nfs/dbraw/zinc/23/56/94/1384235694.db2.gz QCLKUKDQRIBJOP-CQSZACIVSA-N 1 2 328.362 3.427 10 30 EGEELO C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001316719027 1384537280 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347.507 3.139 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnc(C)cn3)C2)CCCC1 ZINC001316952121 1384725880 /nfs/dbraw/zinc/72/58/80/1384725880.db2.gz FFDRRBFOADOJDV-QGZVFWFLSA-N 1 2 342.487 3.002 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cnc(C)cn3)C2)CCCC1 ZINC001316952121 1384725883 /nfs/dbraw/zinc/72/58/83/1384725883.db2.gz FFDRRBFOADOJDV-QGZVFWFLSA-N 1 2 342.487 3.002 10 30 EGEELO C#CCCCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nccs1 ZINC001317172780 1384940924 /nfs/dbraw/zinc/94/09/24/1384940924.db2.gz DVYJCVWRNYPDJW-MRXNPFEDSA-N 1 2 333.501 3.198 10 30 EGEELO C#CCCCCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1nccs1 ZINC001317172780 1384940927 /nfs/dbraw/zinc/94/09/27/1384940927.db2.gz DVYJCVWRNYPDJW-MRXNPFEDSA-N 1 2 333.501 3.198 10 30 EGEELO CCC(CC)C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001317495336 1385197101 /nfs/dbraw/zinc/19/71/01/1385197101.db2.gz UNXAQNYHMOBAOE-GOSISDBHSA-N 1 2 331.435 3.214 10 30 EGEELO CCC(CC)C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001317495336 1385197103 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C=CC(C)(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001319466269 1386135051 /nfs/dbraw/zinc/13/50/51/1386135051.db2.gz YEJJFQHYGXDBLX-OLZOCXBDSA-N 1 2 334.464 3.047 10 30 EGEELO C=CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1c(Cl)cccc1OC ZINC001322218922 1387106843 /nfs/dbraw/zinc/10/68/43/1387106843.db2.gz PTBREQVJZDFICR-ZDUSSCGKSA-N 1 2 338.879 3.497 10 30 EGEELO C=CC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)Cc1c(Cl)cccc1OC ZINC001322218922 1387106848 /nfs/dbraw/zinc/10/68/48/1387106848.db2.gz PTBREQVJZDFICR-ZDUSSCGKSA-N 1 2 338.879 3.497 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001330041536 1389292319 /nfs/dbraw/zinc/29/23/19/1389292319.db2.gz ZZOSTAIXNNATEE-GJZGRUSLSA-N 1 2 343.446 3.236 10 30 EGEELO C/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CC1(C)C ZINC001330186448 1389333350 /nfs/dbraw/zinc/33/33/50/1389333350.db2.gz YCRPUHWVLXOTON-ZPZLLIBOSA-N 1 2 344.886 3.484 10 30 EGEELO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC1(C)C ZINC001330186448 1389333355 /nfs/dbraw/zinc/33/33/55/1389333355.db2.gz YCRPUHWVLXOTON-ZPZLLIBOSA-N 1 2 344.886 3.484 10 30 EGEELO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC#Cc2ccccc2)C(C)(C)C1 ZINC001330264564 1389372452 /nfs/dbraw/zinc/37/24/52/1389372452.db2.gz YMNWXLAPNBXNPF-KRWDZBQOSA-N 1 2 330.859 3.007 10 30 EGEELO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC#Cc2ccccc2)C(C)(C)C1 ZINC001330264564 1389372454 /nfs/dbraw/zinc/37/24/54/1389372454.db2.gz YMNWXLAPNBXNPF-KRWDZBQOSA-N 1 2 330.859 3.007 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001332209695 1390045640 /nfs/dbraw/zinc/04/56/40/1390045640.db2.gz YYZOZVHSFDOWGL-ZBFHGGJFSA-N 1 2 333.476 3.363 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001332209695 1390045644 /nfs/dbraw/zinc/04/56/44/1390045644.db2.gz YYZOZVHSFDOWGL-ZBFHGGJFSA-N 1 2 333.476 3.363 10 30 EGEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)Cc1ccccc1F)C(C)C ZINC001332741175 1390177843 /nfs/dbraw/zinc/17/78/43/1390177843.db2.gz VMFDBVJAJWTBLD-UHFFFAOYSA-N 1 2 326.843 3.290 10 30 EGEELO C=C(Cl)C[N@H+](C)CCN(C(=O)Cc1ccccc1F)C(C)C ZINC001332741175 1390177847 /nfs/dbraw/zinc/17/78/47/1390177847.db2.gz VMFDBVJAJWTBLD-UHFFFAOYSA-N 1 2 326.843 3.290 10 30 EGEELO C=C(Br)C[N@H+]1CC=C(CNC(=O)C(C)(C)C(C)C)CC1 ZINC001333349989 1390287542 /nfs/dbraw/zinc/28/75/42/1390287542.db2.gz IFOPMGMLBXSOSF-UHFFFAOYSA-N 1 2 343.309 3.326 10 30 EGEELO C=C(Br)C[N@@H+]1CC=C(CNC(=O)C(C)(C)C(C)C)CC1 ZINC001333349989 1390287546 /nfs/dbraw/zinc/28/75/46/1390287546.db2.gz IFOPMGMLBXSOSF-UHFFFAOYSA-N 1 2 343.309 3.326 10 30 EGEELO C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001341813341 1390533026 /nfs/dbraw/zinc/53/30/26/1390533026.db2.gz XMAQHSLLIXZLRH-DOTOQJQBSA-N 1 2 330.476 3.444 10 30 EGEELO C=C(C)COCCNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001353432506 1392009400 /nfs/dbraw/zinc/00/94/00/1392009400.db2.gz LVCGCHPFKZNBJR-MRXNPFEDSA-N 1 2 348.491 3.120 10 30 EGEELO C=C/C(C)=C\CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001479716113 1392335233 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10 30 EGEELO C#CCCCCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC001725481292 1426156883 /nfs/dbraw/zinc/15/68/83/1426156883.db2.gz LPVGPHBWPVPDRO-GJZGRUSLSA-N 1 2 348.491 3.058 10 30 EGEELO CC(C)(C)C#CC(=O)N[C@]12CCC[C@@H]1[N@H+](C/C(Cl)=C/Cl)CC2 ZINC001725599727 1426255175 /nfs/dbraw/zinc/25/51/75/1426255175.db2.gz PZTLLZLCPDFRHN-WFDCWPTHSA-N 1 2 343.298 3.468 10 30 EGEELO CC(C)(C)C#CC(=O)N[C@]12CCC[C@@H]1[N@@H+](C/C(Cl)=C/Cl)CC2 ZINC001725599727 1426255177 /nfs/dbraw/zinc/25/51/77/1426255177.db2.gz PZTLLZLCPDFRHN-WFDCWPTHSA-N 1 2 343.298 3.468 10 30 EGEELO CC(C)N(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C1CCCC1 ZINC001725726452 1426389162 /nfs/dbraw/zinc/38/91/62/1426389162.db2.gz RKARLNIAPSFTFV-UHFFFAOYSA-N 1 2 327.472 3.417 10 30 EGEELO CC(C)N(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1CCCC1 ZINC001725726452 1426389166 /nfs/dbraw/zinc/38/91/66/1426389166.db2.gz RKARLNIAPSFTFV-UHFFFAOYSA-N 1 2 327.472 3.417 10 30 EGEELO C=C(Br)C[N@H+](C)CCCNC(=O)c1ccc(C)c(C)c1 ZINC001731281802 1427226432 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EGEELO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001731783011 1427908980 /nfs/dbraw/zinc/90/89/80/1427908980.db2.gz AYRGRRADJGINJA-FQEVSTJZSA-N 1 2 341.455 3.492 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001731783011 1427908989 /nfs/dbraw/zinc/90/89/89/1427908989.db2.gz AYRGRRADJGINJA-FQEVSTJZSA-N 1 2 341.455 3.492 10 30 EGEELO C[C@H]1CC(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)C[C@H](C)C1 ZINC001731797920 1427955461 /nfs/dbraw/zinc/95/54/61/1427955461.db2.gz ZTBMHKVGNRIIBH-HUUCEWRRSA-N 1 2 345.462 3.318 10 30 EGEELO C[C@H]1CC(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)C[C@H](C)C1 ZINC001731797920 1427955462 /nfs/dbraw/zinc/95/54/62/1427955462.db2.gz ZTBMHKVGNRIIBH-HUUCEWRRSA-N 1 2 345.462 3.318 10 30 EGEELO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)CCC ZINC001731817747 1428015913 /nfs/dbraw/zinc/01/59/13/1428015913.db2.gz FCIFDEZPEVCJNF-TZMCWYRMSA-N 1 2 331.298 3.302 10 30 EGEELO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)CCC ZINC001731817747 1428015916 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C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(CC)n1 ZINC001731831220 1428041101 /nfs/dbraw/zinc/04/11/01/1428041101.db2.gz GPGXWFQGLHVCHM-OAHLLOKOSA-N 1 2 335.517 3.388 10 30 EGEELO C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)C=CCC1 ZINC001731836252 1428052328 /nfs/dbraw/zinc/05/23/28/1428052328.db2.gz ZXOUKWXNUSYXMT-AZUAARDMSA-N 1 2 341.430 3.134 10 30 EGEELO C[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)C=CCC1 ZINC001731836252 1428052331 /nfs/dbraw/zinc/05/23/31/1428052331.db2.gz ZXOUKWXNUSYXMT-AZUAARDMSA-N 1 2 341.430 3.134 10 30 EGEELO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)CCC1 ZINC001731853886 1428085872 /nfs/dbraw/zinc/08/58/72/1428085872.db2.gz JTAWGSXNLKVOQB-GFAPJHNFSA-N 1 2 331.287 3.490 10 30 EGEELO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)CCC1 ZINC001731853886 1428085876 /nfs/dbraw/zinc/08/58/76/1428085876.db2.gz JTAWGSXNLKVOQB-GFAPJHNFSA-N 1 2 331.287 3.490 10 30 EGEELO C[C@H]1CC[C@H](C(=O)NCC[N@H+](Cc2ccc(C#N)cc2F)C2CC2)C1 ZINC001731881832 1428153007 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344.886 3.224 10 30 EGEELO C=C[C@H](CC)CC(=O)N(C)CC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC001731944342 1428178597 /nfs/dbraw/zinc/17/85/97/1428178597.db2.gz IZRPTGBTVZWNJZ-ZIAGYGMSSA-N 1 2 336.480 3.078 10 30 EGEELO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ncc(C(C)C)o1 ZINC001733601240 1429805938 /nfs/dbraw/zinc/80/59/38/1429805938.db2.gz ZRXQDNWZZVMFJF-CVEARBPZSA-N 1 2 331.460 3.330 10 30 EGEELO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ncc(C(C)C)o1 ZINC001733601240 1429805945 /nfs/dbraw/zinc/80/59/45/1429805945.db2.gz ZRXQDNWZZVMFJF-CVEARBPZSA-N 1 2 331.460 3.330 10 30 EGEELO C=CCCC(=O)N1CCC[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001733604411 1429813626 /nfs/dbraw/zinc/81/36/26/1429813626.db2.gz WKWXGZQJHGVPHF-JKSUJKDBSA-N 1 2 345.487 3.361 10 30 EGEELO C=CCCC(=O)N1CCC[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001733604411 1429813634 /nfs/dbraw/zinc/81/36/34/1429813634.db2.gz WKWXGZQJHGVPHF-JKSUJKDBSA-N 1 2 345.487 3.361 10 30 EGEELO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=C)Br)[C@@H](C)C1 ZINC001733903007 1437721254 /nfs/dbraw/zinc/72/12/54/1437721254.db2.gz XJOFODZHPQFGML-QWHCGFSZSA-N 1 2 329.282 3.076 10 30 EGEELO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=C)Br)[C@@H](C)C1 ZINC001733903007 1437721255 /nfs/dbraw/zinc/72/12/55/1437721255.db2.gz XJOFODZHPQFGML-QWHCGFSZSA-N 1 2 329.282 3.076 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3coc(C)n3)[C@@H](C)C2)CCC1 ZINC001733903688 1437722179 /nfs/dbraw/zinc/72/21/79/1437722179.db2.gz ZDDSOBWTOPUNKH-GOEBONIOSA-N 1 2 331.460 3.199 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3coc(C)n3)[C@@H](C)C2)CCC1 ZINC001733903688 1437722181 /nfs/dbraw/zinc/72/21/81/1437722181.db2.gz ZDDSOBWTOPUNKH-GOEBONIOSA-N 1 2 331.460 3.199 10 30 EGEELO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](F)c1ccccc1 ZINC001733907615 1437725759 /nfs/dbraw/zinc/72/57/59/1437725759.db2.gz SLLVXWVBZFUDRK-PMACEKPBSA-N 1 2 336.410 3.046 10 30 EGEELO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](F)c1ccccc1 ZINC001733907615 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10 30 EGEELO C=CC(C)(C)C(=O)NC[C@H]1CCCCC[N@H+]1CC(=C)Br ZINC001734104686 1437890830 /nfs/dbraw/zinc/89/08/30/1437890830.db2.gz XQAQVBKQANNCRT-CQSZACIVSA-N 1 2 343.309 3.468 10 30 EGEELO C[C@H](C#N)C(=O)N[C@H](C)C1C[NH+](Cc2ccc(Cl)cc2Cl)C1 ZINC001734109253 1437895307 /nfs/dbraw/zinc/89/53/07/1437895307.db2.gz HNHPAWVAOCGCAT-GHMZBOCLSA-N 1 2 340.254 3.090 10 30 EGEELO C[C@@H](NC(=O)[C@@H](C)C#N)C1C[NH+](Cc2ccc(Cl)cc2Cl)C1 ZINC001734109258 1437895524 /nfs/dbraw/zinc/89/55/24/1437895524.db2.gz HNHPAWVAOCGCAT-WDEREUQCSA-N 1 2 340.254 3.090 10 30 EGEELO C=CCC1(C(=O)N[C@@H](C)C2C[NH+](Cc3nc(C)sc3C)C2)CCC1 ZINC001734121190 1437901548 /nfs/dbraw/zinc/90/15/48/1437901548.db2.gz HTOXPUGJTZMBTQ-ZDUSSCGKSA-N 1 2 347.528 3.443 10 30 EGEELO CC#CCCCC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC001734124026 1437903533 /nfs/dbraw/zinc/90/35/33/1437903533.db2.gz ZPUWUJSXELENDX-AWEZNQCLSA-N 1 2 334.410 3.095 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)CC1(C)C ZINC001734149302 1437917009 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EGEELO C=CCC1(C(=O)N(C)C[C@H](C)[NH2+]Cc2nc(C(C)(C)C)no2)CCC1 ZINC001734346297 1438065407 /nfs/dbraw/zinc/06/54/07/1438065407.db2.gz UHEZOQJZUBSWJN-AWEZNQCLSA-N 1 2 348.491 3.050 10 30 EGEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1coc(C2CC2)n1)C(C)C ZINC001734554647 1438153647 /nfs/dbraw/zinc/15/36/47/1438153647.db2.gz WZWACFPLIZUNSG-UHFFFAOYSA-N 1 2 325.840 3.087 10 30 EGEELO C=C(Cl)C[N@H+](C)CCN(C(=O)c1coc(C2CC2)n1)C(C)C ZINC001734554647 1438153648 /nfs/dbraw/zinc/15/36/48/1438153648.db2.gz WZWACFPLIZUNSG-UHFFFAOYSA-N 1 2 325.840 3.087 10 30 EGEELO C#CCN(CC)c1nnc([C@H](C)CC)n1CCCNc1cccc[nH+]1 ZINC001740660214 1439496063 /nfs/dbraw/zinc/49/60/63/1439496063.db2.gz KJAXSVAEWGWUPE-MRXNPFEDSA-N 1 2 340.475 3.148 10 30 EGEELO C=CCN(c1nnc(CC(C)C)n1Cc1c[nH+]ccc1OC)C1CC1 ZINC001749520091 1440100541 /nfs/dbraw/zinc/10/05/41/1440100541.db2.gz YWOFVHMJUWCDQK-UHFFFAOYSA-N 1 2 341.459 3.083 10 30 EGEELO C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001759342011 1441265352 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CCOC(=O)[C@@H](CCC(C)(C)C)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000342798259 141149593 /nfs/dbraw/zinc/14/95/93/141149593.db2.gz TWOAAAJAAQQCHX-MRXNPFEDSA-N 1 2 342.443 3.054 10 30 EGEELO N#Cc1cc(F)ccc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183908676 144082032 /nfs/dbraw/zinc/08/20/32/144082032.db2.gz NUJWXNXHSDEABF-INIZCTEOSA-N 1 2 349.203 3.283 10 30 EGEELO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000187409507 144158619 /nfs/dbraw/zinc/15/86/19/144158619.db2.gz CCVUCQIGIRNGMH-GFCCVEGCSA-N 1 2 348.855 3.466 10 30 EGEELO Cc1csc(C2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000195320753 153394555 /nfs/dbraw/zinc/39/45/55/153394555.db2.gz OPQNTPJMEDWLKP-UHFFFAOYSA-N 1 2 340.452 3.141 10 30 EGEELO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(F)cc1Cl ZINC000337497104 154383469 /nfs/dbraw/zinc/38/34/69/154383469.db2.gz JHVCKXKYGYOVQJ-UHFFFAOYSA-N 1 2 345.805 3.099 10 30 EGEELO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(F)cc1Cl ZINC000337497104 154383473 /nfs/dbraw/zinc/38/34/73/154383473.db2.gz 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10 30 EGEELO C=CC[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000623502012 460583808 /nfs/dbraw/zinc/58/38/08/460583808.db2.gz SOQFRBNLROYGJI-CQSZACIVSA-N 1 2 328.391 3.119 10 30 EGEELO Cc1ccc(C#N)c(NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)n1 ZINC000245756338 455374395 /nfs/dbraw/zinc/37/43/95/455374395.db2.gz PBSJIUYAFRVUCX-HOCLYGCPSA-N 1 2 342.468 3.197 10 30 EGEELO Cc1ccc(C#N)c(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000245756338 455374401 /nfs/dbraw/zinc/37/44/01/455374401.db2.gz PBSJIUYAFRVUCX-HOCLYGCPSA-N 1 2 342.468 3.197 10 30 EGEELO O=C(/C=C\c1cn2ccccc2[nH+]1)c1cccc(N2CCCC2=O)c1 ZINC000096035586 454265822 /nfs/dbraw/zinc/26/58/22/454265822.db2.gz DZDYTBRELGHZRY-KTKRTIGZSA-N 1 2 331.375 3.357 10 30 EGEELO Cc1nc2[nH]ccc2c(N2CCC(Oc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000080980113 454665581 /nfs/dbraw/zinc/66/55/81/454665581.db2.gz PUPZSWDGAACVEK-UHFFFAOYSA-N 1 2 333.395 3.186 10 30 EGEELO Cn1cc(C#N)cc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000081018332 454672084 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EGEELO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126644684 454908340 /nfs/dbraw/zinc/90/83/40/454908340.db2.gz DMHMBFPQXPCADR-TXPKVOOTSA-N 1 2 346.446 3.177 10 30 EGEELO N#Cc1ccc(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)cn1 ZINC000115038879 454993300 /nfs/dbraw/zinc/99/33/00/454993300.db2.gz MXRVWHFEPITUPT-UHFFFAOYSA-N 1 2 343.390 3.405 10 30 EGEELO C[C@H](c1ccccc1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128194869 455034220 /nfs/dbraw/zinc/03/42/20/455034220.db2.gz DBJCOOFNJMUFGY-OAHLLOKOSA-N 1 2 328.437 3.025 10 30 EGEELO C[C@H](c1ccccc1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128194869 455034225 /nfs/dbraw/zinc/03/42/25/455034225.db2.gz DBJCOOFNJMUFGY-OAHLLOKOSA-N 1 2 328.437 3.025 10 30 EGEELO Cc1ccc([C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)CCO2)o1 ZINC000158941121 455339497 /nfs/dbraw/zinc/33/94/97/455339497.db2.gz UKQWBIJKLGHFPF-IBGZPJMESA-N 1 2 326.396 3.302 10 30 EGEELO Cc1ccc([C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CCO2)o1 ZINC000158941121 455339502 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C=CCC1(C(=O)NCCC[N@H+](CC)c2ccccc2)CCOCC1 ZINC000424556446 458660069 /nfs/dbraw/zinc/66/00/69/458660069.db2.gz GXGUBLOZPJDVON-UHFFFAOYSA-N 1 2 330.472 3.392 10 30 EGEELO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000471586733 458701094 /nfs/dbraw/zinc/70/10/94/458701094.db2.gz DTCCDQSYRRCCHD-UHFFFAOYSA-N 1 2 338.455 3.436 10 30 EGEELO CCS(=O)(=O)c1c(Cl)cccc1CNc1cc(CC#N)cc[nH+]1 ZINC000548138864 458844114 /nfs/dbraw/zinc/84/41/14/458844114.db2.gz HCPHSGFWVRPWLC-UHFFFAOYSA-N 1 2 349.843 3.207 10 30 EGEELO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000518196208 458848457 /nfs/dbraw/zinc/84/84/57/458848457.db2.gz WUBJPVVPMIABCR-HXUWFJFHSA-N 1 2 329.488 3.267 10 30 EGEELO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000590120753 459088188 /nfs/dbraw/zinc/08/81/88/459088188.db2.gz FXHLFMOETVOMKJ-LLVKDONJSA-N 1 2 331.217 3.270 10 30 EGEELO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590278798 459107212 /nfs/dbraw/zinc/10/72/12/459107212.db2.gz 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CN(C)c1ccc([C@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)nn1 ZINC000591626104 459415527 /nfs/dbraw/zinc/41/55/27/459415527.db2.gz MJWMGJUTKJRFTB-LJQANCHMSA-N 1 2 346.438 3.004 10 30 EGEELO CC[N@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@@H](C)C#N ZINC000595817342 459451109 /nfs/dbraw/zinc/45/11/09/459451109.db2.gz KDYFQEKVAYBMBL-AWEZNQCLSA-N 1 2 339.443 3.052 10 30 EGEELO CC[N@@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@@H](C)C#N ZINC000595817342 459451116 /nfs/dbraw/zinc/45/11/16/459451116.db2.gz KDYFQEKVAYBMBL-AWEZNQCLSA-N 1 2 339.443 3.052 10 30 EGEELO Cc1sc(NC(=O)C[NH+]2CCC(c3ccon3)CC2)c(C#N)c1C ZINC000595828082 459455432 /nfs/dbraw/zinc/45/54/32/459455432.db2.gz ILGOJNHYNMQYFU-UHFFFAOYSA-N 1 2 344.440 3.043 10 30 EGEELO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccncc1C#N ZINC000592125199 459529191 /nfs/dbraw/zinc/52/91/91/459529191.db2.gz UTEOMJRFGLTEBL-KRWDZBQOSA-N 1 2 329.444 3.430 10 30 EGEELO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccncc1C#N ZINC000592125199 459529196 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3.361 10 30 EGEELO CSc1ccc(OC[C@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593126324 459781207 /nfs/dbraw/zinc/78/12/07/459781207.db2.gz SXAMPIIOECHVLK-MRXNPFEDSA-N 1 2 340.448 3.036 10 30 EGEELO CSc1ccc(OC[C@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593126324 459781209 /nfs/dbraw/zinc/78/12/09/459781209.db2.gz SXAMPIIOECHVLK-MRXNPFEDSA-N 1 2 340.448 3.036 10 30 EGEELO N#Cc1cccc2c1C[N@H+](C[C@@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC000593125183 459781619 /nfs/dbraw/zinc/78/16/19/459781619.db2.gz BGMHGWSPVAWVBY-INIZCTEOSA-N 1 2 331.419 3.036 10 30 EGEELO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC000593125183 459781624 /nfs/dbraw/zinc/78/16/24/459781624.db2.gz BGMHGWSPVAWVBY-INIZCTEOSA-N 1 2 331.419 3.036 10 30 EGEELO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1OCc1cccnc1 ZINC000597231671 459886384 /nfs/dbraw/zinc/88/63/84/459886384.db2.gz ZXKLCOGIBVQCEP-HXUWFJFHSA-N 1 2 337.423 3.405 10 30 EGEELO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1OCc1cccnc1 ZINC000597231671 459886388 /nfs/dbraw/zinc/88/63/88/459886388.db2.gz ZXKLCOGIBVQCEP-HXUWFJFHSA-N 1 2 337.423 3.405 10 30 EGEELO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@H](C)CC#N)CC1 ZINC000597301563 459907937 /nfs/dbraw/zinc/90/79/37/459907937.db2.gz MHLVLKVCAZUSEC-CXAGYDPISA-N 1 2 335.398 3.110 10 30 EGEELO N#Cc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)s1 ZINC000575068010 459920776 /nfs/dbraw/zinc/92/07/76/459920776.db2.gz OMJOGCLDRJFYSN-JOCQHMNTSA-N 1 2 326.425 3.168 10 30 EGEELO COCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614164665 460033659 /nfs/dbraw/zinc/03/36/59/460033659.db2.gz NRHWRJHYGPHRMC-UHFFFAOYSA-N 1 2 346.471 3.278 10 30 EGEELO COCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614164665 460033669 /nfs/dbraw/zinc/03/36/69/460033669.db2.gz NRHWRJHYGPHRMC-UHFFFAOYSA-N 1 2 346.471 3.278 10 30 EGEELO CO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000614169162 460036769 /nfs/dbraw/zinc/03/67/69/460036769.db2.gz YPEAYCPNZYXWEV-CYBMUJFWSA-N 1 2 328.416 3.210 10 30 EGEELO CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000614169162 460036774 /nfs/dbraw/zinc/03/67/74/460036774.db2.gz YPEAYCPNZYXWEV-CYBMUJFWSA-N 1 2 328.416 3.210 10 30 EGEELO Cn1cc[nH+]c1C[C@@H](NC(=O)c1sccc1C#N)c1ccccc1 ZINC000610304040 460113295 /nfs/dbraw/zinc/11/32/95/460113295.db2.gz GDKZFXHVNFRYAF-OAHLLOKOSA-N 1 2 336.420 3.067 10 30 EGEELO Cc1ccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)cc1C#N ZINC000599361927 460238593 /nfs/dbraw/zinc/23/85/93/460238593.db2.gz YSBVETVUKGVAQC-OAHLLOKOSA-N 1 2 326.469 3.202 10 30 EGEELO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679450 460307922 /nfs/dbraw/zinc/30/79/22/460307922.db2.gz SLAJXXGBERYOPY-UHFFFAOYSA-N 1 2 333.435 3.366 10 30 EGEELO Cc1cccc(C)c1NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679450 460307923 /nfs/dbraw/zinc/30/79/23/460307923.db2.gz SLAJXXGBERYOPY-UHFFFAOYSA-N 1 2 333.435 3.366 10 30 EGEELO N#CCc1cccc2c1CC[N@@H+]([C@@H]1CCN(c3ccccc3F)C1=O)C2 ZINC000599679378 460308097 /nfs/dbraw/zinc/30/80/97/460308097.db2.gz QVDLTLGAHBGUHW-HXUWFJFHSA-N 1 2 349.409 3.055 10 30 EGEELO N#CCc1cccc2c1CC[N@H+]([C@@H]1CCN(c3ccccc3F)C1=O)C2 ZINC000599679378 460308102 /nfs/dbraw/zinc/30/81/02/460308102.db2.gz QVDLTLGAHBGUHW-HXUWFJFHSA-N 1 2 349.409 3.055 10 30 EGEELO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679421 460308372 /nfs/dbraw/zinc/30/83/72/460308372.db2.gz RRWGGSCXNSKJMN-INIZCTEOSA-N 1 2 343.434 3.453 10 30 EGEELO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679421 460308376 /nfs/dbraw/zinc/30/83/76/460308376.db2.gz RRWGGSCXNSKJMN-INIZCTEOSA-N 1 2 343.434 3.453 10 30 EGEELO N#CC1(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CC2(CC2)C1 ZINC000601333131 460790257 /nfs/dbraw/zinc/79/02/57/460790257.db2.gz ATEDREJQQUMPFX-UHFFFAOYSA-N 1 2 343.858 3.068 10 30 EGEELO C=CC[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000636505013 461190536 /nfs/dbraw/zinc/19/05/36/461190536.db2.gz ZPDKHQWNFWKRHT-PBHICJAKSA-N 1 2 342.418 3.256 10 30 EGEELO C=CCCn1cc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)nn1 ZINC000653766548 461848732 /nfs/dbraw/zinc/84/87/32/461848732.db2.gz INOGDEBVORZEGV-QGZVFWFLSA-N 1 2 332.398 3.340 10 30 EGEELO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)nn1 ZINC000653766548 461848739 /nfs/dbraw/zinc/84/87/39/461848739.db2.gz INOGDEBVORZEGV-QGZVFWFLSA-N 1 2 332.398 3.340 10 30 EGEELO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667249295 462011564 /nfs/dbraw/zinc/01/15/64/462011564.db2.gz PKBUAQYOODJUOB-HNNXBMFYSA-N 1 2 344.463 3.046 10 30 EGEELO C=CCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000661014271 462063807 /nfs/dbraw/zinc/06/38/07/462063807.db2.gz ZCXFVJJBUYTOOS-ZBFHGGJFSA-N 1 2 341.377 3.115 10 30 EGEELO C=CCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000661014271 462063815 /nfs/dbraw/zinc/06/38/15/462063815.db2.gz ZCXFVJJBUYTOOS-ZBFHGGJFSA-N 1 2 341.377 3.115 10 30 EGEELO C=CC[C@@H](CC)NC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651077655 462078591 /nfs/dbraw/zinc/07/85/91/462078591.db2.gz VWTOALHNVUTBFM-SJORKVTESA-N 1 2 326.444 3.358 10 30 EGEELO C=CCCn1cc(C[N@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)nn1 ZINC000661196802 462146388 /nfs/dbraw/zinc/14/63/88/462146388.db2.gz TVDXCBDYXPZZEI-LJQANCHMSA-N 1 2 340.471 3.424 10 30 EGEELO C=CCCn1cc(C[N@@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)nn1 ZINC000661196802 462146395 /nfs/dbraw/zinc/14/63/95/462146395.db2.gz TVDXCBDYXPZZEI-LJQANCHMSA-N 1 2 340.471 3.424 10 30 EGEELO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000662087713 462522171 /nfs/dbraw/zinc/52/21/71/462522171.db2.gz IRGMFEIPGXSEDH-QLFBSQMISA-N 1 2 335.245 3.159 10 30 EGEELO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000662087713 462522175 /nfs/dbraw/zinc/52/21/75/462522175.db2.gz IRGMFEIPGXSEDH-QLFBSQMISA-N 1 2 335.245 3.159 10 30 EGEELO O=C(NC[C@@H]1CCCn2cc[nH+]c21)NC1CCC(C(F)(F)F)CC1 ZINC000328622998 547481543 /nfs/dbraw/zinc/48/15/43/547481543.db2.gz YMXMSNBCMHGVAS-HIFPTAJRSA-N 1 2 344.381 3.385 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CCCc3occc31)CCC2 ZINC000328658496 547482687 /nfs/dbraw/zinc/48/26/87/547482687.db2.gz RDGSPSUGLDQZTR-DZGCQCFKSA-N 1 2 328.416 3.243 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](OC(F)F)C2)c1C ZINC000679681351 549758920 /nfs/dbraw/zinc/75/89/20/549758920.db2.gz NCTQIJOHMAZQCY-AWEZNQCLSA-N 1 2 326.387 3.177 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](OC(F)F)C2)c1C ZINC000679681351 549758923 /nfs/dbraw/zinc/75/89/23/549758923.db2.gz NCTQIJOHMAZQCY-AWEZNQCLSA-N 1 2 326.387 3.177 10 30 EGEELO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(C(F)(F)F)[nH]c3=O)n2c1 ZINC000151410331 1293923003 /nfs/dbraw/zinc/92/30/03/1293923003.db2.gz NUGFKWOGARJWCD-HWKANZROSA-N 1 2 347.296 3.246 10 30 EGEELO C#CCN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C1CCCCC1 ZINC000874244846 1297829228 /nfs/dbraw/zinc/82/92/28/1297829228.db2.gz PDXUYSBXWGKOOO-AWEZNQCLSA-N 1 2 327.350 3.171 10 30 EGEELO C#CCC1(O)CC[NH+]([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000880478557 1301137531 /nfs/dbraw/zinc/13/75/31/1301137531.db2.gz HJFKBSCWXCULPA-CYBMUJFWSA-N 1 2 333.382 3.343 10 30 EGEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000884090541 1302728252 /nfs/dbraw/zinc/72/82/52/1302728252.db2.gz XYOTWDKARRBMKH-INIZCTEOSA-N 1 2 348.468 3.106 10 30 EGEELO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886273663 1303416902 /nfs/dbraw/zinc/41/69/02/1303416902.db2.gz DLSDHUYCYJFXHJ-YLJYHZDGSA-N 1 2 325.456 3.288 10 30 EGEELO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886273663 1303416906 /nfs/dbraw/zinc/41/69/06/1303416906.db2.gz DLSDHUYCYJFXHJ-YLJYHZDGSA-N 1 2 325.456 3.288 10 30 EGEELO C#C[C@H]1CCCCN1C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000890651861 1304850109 /nfs/dbraw/zinc/85/01/09/1304850109.db2.gz YJRHGVYNINMFIS-SFHVURJKSA-N 1 2 334.423 3.025 10 30 EGEELO C=CCOc1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)cc1OC ZINC000895068380 1309178420 /nfs/dbraw/zinc/17/84/20/1309178420.db2.gz XADINEFAJIPVJN-UHFFFAOYSA-N 1 2 339.439 3.421 10 30 EGEELO C=CCOc1ccc(C[N@H+]2CCc3nc[nH]c3C23CCC3)cc1OC ZINC000895068380 1309178422 /nfs/dbraw/zinc/17/84/22/1309178422.db2.gz XADINEFAJIPVJN-UHFFFAOYSA-N 1 2 339.439 3.421 10 30 EGEELO Cc1[nH]c(CN2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)[nH+]1 ZINC000930463955 1328863649 /nfs/dbraw/zinc/86/36/49/1328863649.db2.gz BVLODWFZPAZVGF-UHFFFAOYSA-N 1 2 328.391 3.081 10 30 EGEELO Cc1cc(CNC(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000922927326 1322651890 /nfs/dbraw/zinc/65/18/90/1322651890.db2.gz GGRZWNOPJMJARN-UHFFFAOYSA-N 1 2 336.439 3.391 10 30 EGEELO C#CC1(O)CC[NH+](Cc2csc(Nc3ccc(C)cc3)n2)CC1 ZINC000931144028 1329060345 /nfs/dbraw/zinc/06/03/45/1329060345.db2.gz VAXIHVDWCDIWNA-UHFFFAOYSA-N 1 2 327.453 3.155 10 30 EGEELO CCc1nn(C)c(CC)c1C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925629960 1325238114 /nfs/dbraw/zinc/23/81/14/1325238114.db2.gz OLCVUXANNDSJIP-INIZCTEOSA-N 1 2 326.444 3.363 10 30 EGEELO CC[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cccc(C#N)c1O ZINC000926662202 1327657972 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C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1nnc2n1CCCCC2 ZINC000346140496 164347650 /nfs/dbraw/zinc/34/76/50/164347650.db2.gz PQFHVLHNXJXMEG-QWHCGFSZSA-N 1 2 327.407 3.427 10 30 EGEELO Cc1oc(NC(=O)C[N@H+]2CC=C(c3ccccc3)CC2)c(C#N)c1C ZINC000011726052 264014094 /nfs/dbraw/zinc/01/40/94/264014094.db2.gz RRNPBKYNEINZSU-UHFFFAOYSA-N 1 2 335.407 3.496 10 30 EGEELO Cc1oc(NC(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)c(C#N)c1C ZINC000011726052 264014097 /nfs/dbraw/zinc/01/40/97/264014097.db2.gz RRNPBKYNEINZSU-UHFFFAOYSA-N 1 2 335.407 3.496 10 30 EGEELO CCN(CC)c1ccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)c[nH+]1 ZINC000188342253 266121435 /nfs/dbraw/zinc/12/14/35/266121435.db2.gz SOVHGZYGUBZIRG-UHFFFAOYSA-N 1 2 348.450 3.147 10 30 EGEELO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000179942509 267208341 /nfs/dbraw/zinc/20/83/41/267208341.db2.gz MFBYEJPETXCIFM-GFCCVEGCSA-N 1 2 334.466 3.216 10 30 EGEELO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000179942509 267208343 /nfs/dbraw/zinc/20/83/43/267208343.db2.gz MFBYEJPETXCIFM-GFCCVEGCSA-N 1 2 334.466 3.216 10 30 EGEELO CN(C)c1[nH+]cccc1CNc1cccc(Br)c1C#N ZINC000439956884 267295934 /nfs/dbraw/zinc/29/59/34/267295934.db2.gz BNYGIRZVGSKTOB-UHFFFAOYSA-N 1 2 331.217 3.394 10 30 EGEELO Cc1ccc(CNc2cc(C)[nH+]cc2C#N)c(OC[C@H]2CCOC2)c1 ZINC000425227800 268037468 /nfs/dbraw/zinc/03/74/68/268037468.db2.gz BBVQBYUJTXHPCT-INIZCTEOSA-N 1 2 337.423 3.019 10 30 EGEELO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420991236 268174530 /nfs/dbraw/zinc/17/45/30/268174530.db2.gz IHRGDSBKYSADJO-HNNXBMFYSA-N 1 2 335.245 3.200 10 30 EGEELO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420991236 268174531 /nfs/dbraw/zinc/17/45/31/268174531.db2.gz IHRGDSBKYSADJO-HNNXBMFYSA-N 1 2 335.245 3.200 10 30 EGEELO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000420991237 268174732 /nfs/dbraw/zinc/17/47/32/268174732.db2.gz IHRGDSBKYSADJO-OAHLLOKOSA-N 1 2 335.245 3.200 10 30 EGEELO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000420991237 268174733 /nfs/dbraw/zinc/17/47/33/268174733.db2.gz IHRGDSBKYSADJO-OAHLLOKOSA-N 1 2 335.245 3.200 10 30 EGEELO Cc1[nH+]c2ccccc2n1CCc1noc(-c2ncc(C#N)cc2C)n1 ZINC000551032623 315140838 /nfs/dbraw/zinc/14/08/38/315140838.db2.gz RGAMXGAYLFAVRJ-UHFFFAOYSA-N 1 2 344.378 3.213 10 30 EGEELO Cc1[nH+]c2ccccc2n1C1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000563424635 316019677 /nfs/dbraw/zinc/01/96/77/316019677.db2.gz DNZBMVWWRBDPSJ-UHFFFAOYSA-N 1 2 332.411 3.035 10 30 EGEELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000570642337 317086225 /nfs/dbraw/zinc/08/62/25/317086225.db2.gz KXTONOYLYRPEMK-HNNXBMFYSA-N 1 2 340.858 3.485 10 30 EGEELO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000179919739 323412380 /nfs/dbraw/zinc/41/23/80/323412380.db2.gz YYLWZYCPRZWRQK-SNVBAGLBSA-N 1 2 333.388 3.057 10 30 EGEELO N#Cc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000576893399 324702346 /nfs/dbraw/zinc/70/23/46/324702346.db2.gz BGONJKICCLTYCJ-UHFFFAOYSA-N 1 2 346.356 3.294 10 30 EGEELO C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000245642746 455347240 /nfs/dbraw/zinc/34/72/40/455347240.db2.gz BKUXZSKFKRVZPH-GOEBONIOSA-N 1 2 347.390 3.073 10 30 EGEELO C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000245642746 455347242 /nfs/dbraw/zinc/34/72/42/455347242.db2.gz BKUXZSKFKRVZPH-GOEBONIOSA-N 1 2 347.390 3.073 10 30 EGEELO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ncc(C)c(OC)c1C ZINC000067227606 453912463 /nfs/dbraw/zinc/91/24/63/453912463.db2.gz SDPJVETVPWWXBF-UHFFFAOYSA-N 1 2 339.439 3.227 10 30 EGEELO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ncc(C)c(OC)c1C ZINC000067227606 453912467 /nfs/dbraw/zinc/91/24/67/453912467.db2.gz SDPJVETVPWWXBF-UHFFFAOYSA-N 1 2 339.439 3.227 10 30 EGEELO COc1ccccc1/C=C1/Oc2c(c(C)cc(O)c2C[NH+](C)C)C1=O ZINC000037857556 453939020 /nfs/dbraw/zinc/93/90/20/453939020.db2.gz YOJKHGBKWPSRCQ-LICLKQGHSA-N 1 2 339.391 3.387 10 30 EGEELO COCC[N@H+](CC(=O)c1c[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000069072124 454076902 /nfs/dbraw/zinc/07/69/02/454076902.db2.gz HTEJDTMYGYQCFW-UHFFFAOYSA-N 1 2 347.418 3.371 10 30 EGEELO COCC[N@@H+](CC(=O)c1c[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000069072124 454076907 /nfs/dbraw/zinc/07/69/07/454076907.db2.gz HTEJDTMYGYQCFW-UHFFFAOYSA-N 1 2 347.418 3.371 10 30 EGEELO C[C@@H](c1cccc(Cl)c1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000057753081 454145031 /nfs/dbraw/zinc/14/50/31/454145031.db2.gz KQARPQRUMSPVSW-AWEZNQCLSA-N 1 2 326.831 3.490 10 30 EGEELO N#C[C@@H](C(=O)c1ccn2c[nH+]cc2c1)c1nc(-c2ccncc2)cs1 ZINC000097034285 454391707 /nfs/dbraw/zinc/39/17/07/454391707.db2.gz UQXQQCLLIDIHCD-HNNXBMFYSA-N 1 2 345.387 3.343 10 30 EGEELO C=CC[N@@H+](CC(=O)N(CC)CC(=C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063388404 454408942 /nfs/dbraw/zinc/40/89/42/454408942.db2.gz UBWHAZPSECZWHJ-UHFFFAOYSA-N 1 2 331.416 3.007 10 30 EGEELO C=CC[N@H+](CC(=O)N(CC)CC(=C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063388404 454408945 /nfs/dbraw/zinc/40/89/45/454408945.db2.gz UBWHAZPSECZWHJ-UHFFFAOYSA-N 1 2 331.416 3.007 10 30 EGEELO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093535925 454721013 /nfs/dbraw/zinc/72/10/13/454721013.db2.gz QPIRLHVAVDNHRS-SFHVURJKSA-N 1 2 330.428 3.285 10 30 EGEELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093535925 454721018 /nfs/dbraw/zinc/72/10/18/454721018.db2.gz QPIRLHVAVDNHRS-SFHVURJKSA-N 1 2 330.428 3.285 10 30 EGEELO Cc1nc(CN2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)oc1C ZINC000177116528 454824721 /nfs/dbraw/zinc/82/47/21/454824721.db2.gz PWPKNRXPWCLQJQ-UHFFFAOYSA-N 1 2 343.858 3.114 10 30 EGEELO N#Cc1ccccc1N1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000150947622 454916649 /nfs/dbraw/zinc/91/66/49/454916649.db2.gz GRUYNVIBDLPJKS-UHFFFAOYSA-N 1 2 336.370 3.161 10 30 EGEELO C#C[C@H](C)Oc1ccc(COC(=O)c2cccc(-n3cc[nH+]c3)n2)cc1 ZINC000170617245 454943398 /nfs/dbraw/zinc/94/33/98/454943398.db2.gz VWTNFEHDZJDJLK-HNNXBMFYSA-N 1 2 347.374 3.025 10 30 EGEELO N#Cc1ccc2[nH+]cc(CNc3ccc(NC(=O)C4CC4)cc3)n2c1 ZINC000155858433 455053888 /nfs/dbraw/zinc/05/38/88/455053888.db2.gz KGHXJYQPJGYFOF-UHFFFAOYSA-N 1 2 331.379 3.167 10 30 EGEELO C[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000156823379 455152118 /nfs/dbraw/zinc/15/21/18/455152118.db2.gz JGCUCEYTNXFLSN-BEFAXECRSA-N 1 2 340.448 3.025 10 30 EGEELO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000156823379 455152121 /nfs/dbraw/zinc/15/21/21/455152121.db2.gz JGCUCEYTNXFLSN-BEFAXECRSA-N 1 2 340.448 3.025 10 30 EGEELO N#Cc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c(Br)c1 ZINC000181048968 455280098 /nfs/dbraw/zinc/28/00/98/455280098.db2.gz AITNEZGSAOYILJ-UHFFFAOYSA-N 1 2 345.244 3.423 10 30 EGEELO N#CC1(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC2(CC2)C1 ZINC000600998322 460669866 /nfs/dbraw/zinc/66/98/66/460669866.db2.gz FKYPOSPJWUKERO-UHFFFAOYSA-N 1 2 338.455 3.162 10 30 EGEELO C[N@@H+]1CC[C@H](NC(=O)c2sccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000245916425 455398350 /nfs/dbraw/zinc/39/83/50/455398350.db2.gz RXWKKRKDYCTZEU-LSDHHAIUSA-N 1 2 345.855 3.448 10 30 EGEELO C[N@H+]1CC[C@H](NC(=O)c2sccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000245916425 455398354 /nfs/dbraw/zinc/39/83/54/455398354.db2.gz RXWKKRKDYCTZEU-LSDHHAIUSA-N 1 2 345.855 3.448 10 30 EGEELO N#Cc1ccc(Br)c(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000191776679 455518295 /nfs/dbraw/zinc/51/82/95/455518295.db2.gz NPRCZQIRHVPGDM-HOTGVXAUSA-N 1 2 335.245 3.464 10 30 EGEELO N#Cc1ccc(Br)c(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000191776679 455518296 /nfs/dbraw/zinc/51/82/96/455518296.db2.gz NPRCZQIRHVPGDM-HOTGVXAUSA-N 1 2 335.245 3.464 10 30 EGEELO C=CC[C@@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000623728819 460694674 /nfs/dbraw/zinc/69/46/74/460694674.db2.gz BEPLJXHTMVUMPM-CJNGLKHVSA-N 1 2 337.414 3.175 10 30 EGEELO COc1cc(Br)c(C[NH+]2CCC(C)(C#N)CC2)cc1O ZINC000272503670 455974083 /nfs/dbraw/zinc/97/40/83/455974083.db2.gz HMDDQLCEODRJIF-UHFFFAOYSA-N 1 2 339.233 3.289 10 30 EGEELO C=CCOC(=O)c1c[nH+]c2c(N)cccc2c1NCc1ccccn1 ZINC000204139984 456016534 /nfs/dbraw/zinc/01/65/34/456016534.db2.gz FIDBSAOKKNCRHC-UHFFFAOYSA-N 1 2 334.379 3.167 10 30 EGEELO CC1(C#N)CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000227353246 456115739 /nfs/dbraw/zinc/11/57/39/456115739.db2.gz JCWNIIWDUJLPQE-UHFFFAOYSA-N 1 2 340.208 3.417 10 30 EGEELO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000340237598 456331574 /nfs/dbraw/zinc/33/15/74/456331574.db2.gz OSIDDQSXQZSXKS-KSSFIOAISA-N 1 2 332.325 3.283 10 30 EGEELO N#Cc1ccc(F)c(C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000340237598 456331581 /nfs/dbraw/zinc/33/15/81/456331581.db2.gz OSIDDQSXQZSXKS-KSSFIOAISA-N 1 2 332.325 3.283 10 30 EGEELO Cc1nsc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1C#N ZINC000342948813 456333106 /nfs/dbraw/zinc/33/31/06/456333106.db2.gz YBIOCOYCTYCSGX-UHFFFAOYSA-N 1 2 332.860 3.447 10 30 EGEELO Cc1nsc(NCC[N@H+]2CCc3c(Cl)cccc3C2)c1C#N ZINC000342948813 456333113 /nfs/dbraw/zinc/33/31/13/456333113.db2.gz YBIOCOYCTYCSGX-UHFFFAOYSA-N 1 2 332.860 3.447 10 30 EGEELO C=CCN1CC[C@@H]([N@H+](CCC(F)(F)F)Cc2ccccc2)C1=O ZINC000337185211 456334855 /nfs/dbraw/zinc/33/48/55/456334855.db2.gz CPVSHAJTPNRDCZ-OAHLLOKOSA-N 1 2 326.362 3.228 10 30 EGEELO C=CCN1CC[C@@H]([N@@H+](CCC(F)(F)F)Cc2ccccc2)C1=O ZINC000337185211 456334858 /nfs/dbraw/zinc/33/48/58/456334858.db2.gz CPVSHAJTPNRDCZ-OAHLLOKOSA-N 1 2 326.362 3.228 10 30 EGEELO Cc1ccc([C@@H](CNc2ccc(C)c(C#N)n2)[NH+]2CCOCC2)s1 ZINC000302598527 456363931 /nfs/dbraw/zinc/36/39/31/456363931.db2.gz BPUPYJGMSUQVTC-MRXNPFEDSA-N 1 2 342.468 3.117 10 30 EGEELO CN(C[C@H](C#N)CCC#N)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000352901302 456400838 /nfs/dbraw/zinc/40/08/38/456400838.db2.gz JTDGDXZRMDEQOA-JYJNAYRXSA-N 1 2 334.464 3.036 10 30 EGEELO CN(C[C@H](C#N)CCC#N)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000352901302 456400844 /nfs/dbraw/zinc/40/08/44/456400844.db2.gz JTDGDXZRMDEQOA-JYJNAYRXSA-N 1 2 334.464 3.036 10 30 EGEELO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298257639 456407170 /nfs/dbraw/zinc/40/71/70/456407170.db2.gz ZMRPQXOZPGRGBG-JYJNAYRXSA-N 1 2 329.448 3.222 10 30 EGEELO N#Cc1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)ccn1 ZINC000326915242 456701883 /nfs/dbraw/zinc/70/18/83/456701883.db2.gz GZAPTGGYZSJFQN-UHFFFAOYSA-N 1 2 346.356 3.294 10 30 EGEELO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@H](O)c1ccccc1 ZINC000328625881 456721618 /nfs/dbraw/zinc/72/16/18/456721618.db2.gz DPPRHVJPQPVETB-YQQAZPJKSA-N 1 2 348.443 3.351 10 30 EGEELO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@H](O)c1ccccc1 ZINC000328625881 456721621 /nfs/dbraw/zinc/72/16/21/456721621.db2.gz DPPRHVJPQPVETB-YQQAZPJKSA-N 1 2 348.443 3.351 10 30 EGEELO C=CCCCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000283575385 456805874 /nfs/dbraw/zinc/80/58/74/456805874.db2.gz QRZJBUMQCUXSNU-INIZCTEOSA-N 1 2 330.476 3.465 10 30 EGEELO C[C@H](C#N)CN(Cc1c[nH+]c2ccc(Br)cn12)C1CC1 ZINC000354025772 457016648 /nfs/dbraw/zinc/01/66/48/457016648.db2.gz JEXKASAAWCFQFP-LLVKDONJSA-N 1 2 333.233 3.221 10 30 EGEELO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(F)cc1Cl ZINC000330374181 457036741 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EGEELO COc1ccc(CC[NH2+][C@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866211541 1330079431 /nfs/dbraw/zinc/07/94/31/1330079431.db2.gz JMZFCQQQWMCFII-CYBMUJFWSA-N 1 2 326.396 3.174 10 30 EGEELO C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1cccc(C#N)c1O ZINC000866240032 1330083787 /nfs/dbraw/zinc/08/37/87/1330083787.db2.gz ZWUKWPXLLIXWGJ-OAHLLOKOSA-N 1 2 349.434 3.237 10 30 EGEELO COc1ccc(CC[NH2+][C@@H](C)c2cccc(C#N)c2O)c(OC)c1 ZINC000866247957 1330084983 /nfs/dbraw/zinc/08/49/83/1330084983.db2.gz HYLRCFYDRNDRCK-ZDUSSCGKSA-N 1 2 326.396 3.174 10 30 EGEELO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1nnc2n1CCCCC2 ZINC000866254518 1330085913 /nfs/dbraw/zinc/08/59/13/1330085913.db2.gz QEHMEDXDCAUGKZ-XJKSGUPXSA-N 1 2 339.443 3.384 10 30 EGEELO COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc(C#N)c3O)C2)c1 ZINC000866255984 1330086013 /nfs/dbraw/zinc/08/60/13/1330086013.db2.gz IRQQVHVSVFHIDN-GOEBONIOSA-N 1 2 337.423 3.202 10 30 EGEELO C[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1cccc(C#N)c1O ZINC000866361227 1330102313 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10 30 EGEELO C=CC(C)(C)CC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC001324619136 1387701481 /nfs/dbraw/zinc/70/14/81/1387701481.db2.gz HXKDAVMGYKRMFV-AUUYWEPGSA-N 1 2 348.491 3.437 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@]1(C)CC[N@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC001324619136 1387701486 /nfs/dbraw/zinc/70/14/86/1387701486.db2.gz HXKDAVMGYKRMFV-AUUYWEPGSA-N 1 2 348.491 3.437 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001324618841 1387701545 /nfs/dbraw/zinc/70/15/45/1387701545.db2.gz DQQCNDXRBAAVGB-GOSISDBHSA-N 1 2 335.879 3.418 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001324618841 1387701546 /nfs/dbraw/zinc/70/15/46/1387701546.db2.gz DQQCNDXRBAAVGB-GOSISDBHSA-N 1 2 335.879 3.418 10 30 EGEELO C=CCCCC(=O)N[C@]1(C)CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001324642020 1387715049 /nfs/dbraw/zinc/71/50/49/1387715049.db2.gz QWVPUNXXLVVADF-OAHLLOKOSA-N 1 2 327.881 3.233 10 30 EGEELO C=CCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001324642020 1387715055 /nfs/dbraw/zinc/71/50/55/1387715055.db2.gz QWVPUNXXLVVADF-OAHLLOKOSA-N 1 2 327.881 3.233 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C)C2CCC2)C1 ZINC001325052211 1387888017 /nfs/dbraw/zinc/88/80/17/1387888017.db2.gz WGYYQUWDWQXHCL-OCCSQVGLSA-N 1 2 334.838 3.249 10 30 EGEELO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C)C2CCC2)C1 ZINC001325052211 1387888022 /nfs/dbraw/zinc/88/80/22/1387888022.db2.gz WGYYQUWDWQXHCL-OCCSQVGLSA-N 1 2 334.838 3.249 10 30 EGEELO C[C@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC001197135997 1368751752 /nfs/dbraw/zinc/75/17/52/1368751752.db2.gz TYYTUFHYMYAZEF-SJCJKPOMSA-N 1 2 329.350 3.325 10 30 EGEELO C=CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001325884424 1388065358 /nfs/dbraw/zinc/06/53/58/1388065358.db2.gz XEXOZWGDCHBBLP-JKSUJKDBSA-N 1 2 329.444 3.084 10 30 EGEELO C=CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ncc(C2CC2)o1 ZINC001325884424 1388065366 /nfs/dbraw/zinc/06/53/66/1388065366.db2.gz XEXOZWGDCHBBLP-JKSUJKDBSA-N 1 2 329.444 3.084 10 30 EGEELO C=CCC1(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC001120679305 1371705990 /nfs/dbraw/zinc/70/59/90/1371705990.db2.gz PVSAWYURJVNTPF-KRWDZBQOSA-N 1 2 348.874 3.186 10 30 EGEELO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCCC[C@@H](SC)C1 ZINC001122488197 1372258346 /nfs/dbraw/zinc/25/83/46/1372258346.db2.gz SDACWVGNNZVNLQ-MRXNPFEDSA-N 1 2 349.548 3.172 10 30 EGEELO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC(F)(F)CC[C@@H]1C ZINC001122529949 1372267895 /nfs/dbraw/zinc/26/78/95/1372267895.db2.gz SOWBVCBWNLNACW-KBPBESRZSA-N 1 2 339.434 3.245 10 30 EGEELO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC(F)(F)CC[C@@H]1C ZINC001122529949 1372267897 /nfs/dbraw/zinc/26/78/97/1372267897.db2.gz SOWBVCBWNLNACW-KBPBESRZSA-N 1 2 339.434 3.245 10 30 EGEELO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1sccc1C(F)F ZINC001326667446 1388273796 /nfs/dbraw/zinc/27/37/96/1388273796.db2.gz LOVRAPQFFVHPTH-GFCCVEGCSA-N 1 2 344.427 3.083 10 30 EGEELO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1sccc1C(F)F ZINC001326667446 1388273804 /nfs/dbraw/zinc/27/38/04/1388273804.db2.gz LOVRAPQFFVHPTH-GFCCVEGCSA-N 1 2 344.427 3.083 10 30 EGEELO C=CCCC1(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC001230554402 1376075946 /nfs/dbraw/zinc/07/59/46/1376075946.db2.gz RYEPIKQRJXXKOW-KRWDZBQOSA-N 1 2 342.487 3.486 10 30 EGEELO C=CCN(Cc1ccccc1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001135972844 1377282621 /nfs/dbraw/zinc/28/26/21/1377282621.db2.gz KXBJEUUGYWUBJN-UHFFFAOYSA-N 1 2 333.391 3.406 10 30 EGEELO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](OCC)C(C)C ZINC001266843855 1377392412 /nfs/dbraw/zinc/39/24/12/1377392412.db2.gz CSXAFEFCOJYESD-HZPDHXFCSA-N 1 2 330.900 3.161 10 30 EGEELO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](OCC)C(C)C ZINC001266843855 1377392413 /nfs/dbraw/zinc/39/24/13/1377392413.db2.gz CSXAFEFCOJYESD-HZPDHXFCSA-N 1 2 330.900 3.161 10 30 EGEELO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](OCC)C(C)C ZINC001266843854 1377392581 /nfs/dbraw/zinc/39/25/81/1377392581.db2.gz CSXAFEFCOJYESD-HOTGVXAUSA-N 1 2 330.900 3.161 10 30 EGEELO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](OCC)C(C)C ZINC001266843854 1377392582 /nfs/dbraw/zinc/39/25/82/1377392582.db2.gz CSXAFEFCOJYESD-HOTGVXAUSA-N 1 2 330.900 3.161 10 30 EGEELO C=CCCCC(=O)NC[C@H]1CCC2(C[NH+](Cc3csc(C)c3)C2)O1 ZINC001327360523 1388505870 /nfs/dbraw/zinc/50/58/70/1388505870.db2.gz WIYAKRZMAOUHCT-QGZVFWFLSA-N 1 2 348.512 3.262 10 30 EGEELO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](CC(C)C)c2ccccc2)C1 ZINC001270682573 1377611956 /nfs/dbraw/zinc/61/19/56/1377611956.db2.gz MMFQVVYTYNNBEN-PMACEKPBSA-N 1 2 344.499 3.209 10 30 EGEELO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](CC(C)C)c2ccccc2)C1 ZINC001270682573 1377611957 /nfs/dbraw/zinc/61/19/57/1377611957.db2.gz MMFQVVYTYNNBEN-PMACEKPBSA-N 1 2 344.499 3.209 10 30 EGEELO C=CCCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccn(C(CC)CC)n2)C1 ZINC001278369101 1378267376 /nfs/dbraw/zinc/26/73/76/1378267376.db2.gz LVOTUOHRNBWWKG-LJQANCHMSA-N 1 2 332.492 3.291 10 30 EGEELO C=CCCC(=O)N[C@]1(C)CC[N@H+](Cc2ccn(C(CC)CC)n2)C1 ZINC001278369101 1378267382 /nfs/dbraw/zinc/26/73/82/1378267382.db2.gz LVOTUOHRNBWWKG-LJQANCHMSA-N 1 2 332.492 3.291 10 30 EGEELO C=CC(C)(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2nccc(C)n2)C1 ZINC001278664596 1378286158 /nfs/dbraw/zinc/28/61/58/1378286158.db2.gz ZWNLMPRPDAEGMC-HXUWFJFHSA-N 1 2 344.503 3.106 10 30 EGEELO C=CC(C)(C)CC(=O)NC[C@@]1(C)CCC[N@H+](Cc2nccc(C)n2)C1 ZINC001278664596 1378286162 /nfs/dbraw/zinc/28/61/62/1378286162.db2.gz ZWNLMPRPDAEGMC-HXUWFJFHSA-N 1 2 344.503 3.106 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001282741071 1378592235 /nfs/dbraw/zinc/59/22/35/1378592235.db2.gz QGOCEJAFESYIQN-CYBMUJFWSA-N 1 2 335.879 3.274 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cncc(F)c2)CC1(C)C ZINC001282823521 1378629535 /nfs/dbraw/zinc/62/95/35/1378629535.db2.gz PYQUNXJBOKHWRO-RHSMWYFYSA-N 1 2 333.451 3.150 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC1(C)C ZINC001282823521 1378629540 /nfs/dbraw/zinc/62/95/40/1378629540.db2.gz PYQUNXJBOKHWRO-RHSMWYFYSA-N 1 2 333.451 3.150 10 30 EGEELO C=CC(C)(C)CC(=O)N1CC2(C1)CCC[N@@H+](Cc1cc(C)on1)C2 ZINC001282963946 1378688726 /nfs/dbraw/zinc/68/87/26/1378688726.db2.gz ABVHVFYVPSKDJZ-UHFFFAOYSA-N 1 2 331.460 3.010 10 30 EGEELO C=CC(C)(C)CC(=O)N1CC2(C1)CCC[N@H+](Cc1cc(C)on1)C2 ZINC001282963946 1378688728 /nfs/dbraw/zinc/68/87/28/1378688728.db2.gz ABVHVFYVPSKDJZ-UHFFFAOYSA-N 1 2 331.460 3.010 10 30 EGEELO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC001148589167 1379218630 /nfs/dbraw/zinc/21/86/30/1379218630.db2.gz RDKZNXZQDQQDQA-NRFANRHFSA-N 1 2 348.421 3.479 10 30 EGEELO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC001148589167 1379218636 /nfs/dbraw/zinc/21/86/36/1379218636.db2.gz RDKZNXZQDQQDQA-NRFANRHFSA-N 1 2 348.421 3.479 10 30 EGEELO CC[C@H](F)C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cc(F)ccc1C#N)CC2 ZINC001284069898 1379431147 /nfs/dbraw/zinc/43/11/47/1379431147.db2.gz REXLGUJBCTULNV-LNLFQRSKSA-N 1 2 347.409 3.059 10 30 EGEELO CC[C@H](F)C(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1cc(F)ccc1C#N)CC2 ZINC001284069898 1379431148 /nfs/dbraw/zinc/43/11/48/1379431148.db2.gz REXLGUJBCTULNV-LNLFQRSKSA-N 1 2 347.409 3.059 10 30 EGEELO C#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001284123977 1379498880 /nfs/dbraw/zinc/49/88/80/1379498880.db2.gz UGDFMVYEJWMGBE-GDBMZVCRSA-N 1 2 333.863 3.008 10 30 EGEELO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001284123977 1379498881 /nfs/dbraw/zinc/49/88/81/1379498881.db2.gz UGDFMVYEJWMGBE-GDBMZVCRSA-N 1 2 333.863 3.008 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)sc2C)[C@@H]1C ZINC001284131234 1379513004 /nfs/dbraw/zinc/51/30/04/1379513004.db2.gz PDNMUTSOUVLECG-RHSMWYFYSA-N 1 2 347.528 3.423 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)sc2C)[C@@H]1C ZINC001284131234 1379513006 /nfs/dbraw/zinc/51/30/06/1379513006.db2.gz PDNMUTSOUVLECG-RHSMWYFYSA-N 1 2 347.528 3.423 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2nc(C)sc2C)[C@H]1C ZINC001284133140 1379518424 /nfs/dbraw/zinc/51/84/24/1379518424.db2.gz ZDRQWWKKCYZVEM-WFASDCNBSA-N 1 2 335.517 3.441 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)sc2C)[C@H]1C ZINC001284133140 1379518428 /nfs/dbraw/zinc/51/84/28/1379518428.db2.gz ZDRQWWKKCYZVEM-WFASDCNBSA-N 1 2 335.517 3.441 10 30 EGEELO C=CCCC(=O)N[C@H](C)C1CC[NH+](Cc2nc(C(C)(C)C)no2)CC1 ZINC001284677595 1380088694 /nfs/dbraw/zinc/08/86/94/1380088694.db2.gz JXJOGNXSSGJMRM-CQSZACIVSA-N 1 2 348.491 3.050 10 30 EGEELO C=CCC(CC=C)C(=O)NCC1=CC[N@H+](Cc2cncc(F)c2)CC1 ZINC001284918034 1380310978 /nfs/dbraw/zinc/31/09/78/1380310978.db2.gz VEUCXDNMNLAGCI-UHFFFAOYSA-N 1 2 343.446 3.237 10 30 EGEELO C=CCC(CC=C)C(=O)NCC1=CC[N@@H+](Cc2cncc(F)c2)CC1 ZINC001284918034 1380310979 /nfs/dbraw/zinc/31/09/79/1380310979.db2.gz VEUCXDNMNLAGCI-UHFFFAOYSA-N 1 2 343.446 3.237 10 30 EGEELO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H](CC)CCC)CC1 ZINC001284969746 1380332674 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AYUUNVCYHKEDPC-INIZCTEOSA-N 1 2 343.471 3.018 10 30 EGEELO C=CC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)Cc1nsc2ccccc12 ZINC001699455261 1412798219 /nfs/dbraw/zinc/79/82/19/1412798219.db2.gz QFNIJMFNYYNGRT-ZDUSSCGKSA-N 1 2 331.485 3.445 10 30 EGEELO C=CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1nsc2ccccc12 ZINC001699455261 1412798222 /nfs/dbraw/zinc/79/82/22/1412798222.db2.gz QFNIJMFNYYNGRT-ZDUSSCGKSA-N 1 2 331.485 3.445 10 30 EGEELO CCC(CC)[C@H](C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001699629559 1412998704 /nfs/dbraw/zinc/99/87/04/1412998704.db2.gz VLXNANMMKUGQKL-DZGCQCFKSA-N 1 2 333.501 3.383 10 30 EGEELO CCC(CC)[C@H](C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001699629559 1412998706 /nfs/dbraw/zinc/99/87/06/1412998706.db2.gz VLXNANMMKUGQKL-DZGCQCFKSA-N 1 2 333.501 3.383 10 30 EGEELO C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC(F)(F)C(F)F ZINC001732543666 1428709855 /nfs/dbraw/zinc/70/98/55/1428709855.db2.gz ZAUANLWTSFKBHR-STQMWFEESA-N 1 2 338.389 3.460 10 30 EGEELO CC(C)(C)CC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001699807202 1413220964 /nfs/dbraw/zinc/22/09/64/1413220964.db2.gz BOZDICRGSWENOC-IBGZPJMESA-N 1 2 331.435 3.214 10 30 EGEELO CC(C)(C)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001699807202 1413220973 /nfs/dbraw/zinc/22/09/73/1413220973.db2.gz BOZDICRGSWENOC-IBGZPJMESA-N 1 2 331.435 3.214 10 30 EGEELO C=C[C@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C)on2)C1)c1ccccc1 ZINC001699823981 1413248530 /nfs/dbraw/zinc/24/85/30/1413248530.db2.gz IBMLJCTXGYYISA-AZUAARDMSA-N 1 2 339.439 3.033 10 30 EGEELO C=C[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2cc(C)on2)C1)c1ccccc1 ZINC001699823981 1413248531 /nfs/dbraw/zinc/24/85/31/1413248531.db2.gz IBMLJCTXGYYISA-AZUAARDMSA-N 1 2 339.439 3.033 10 30 EGEELO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+]([C@H](C)c3nnc(C)s3)C[C@H]21 ZINC001700018754 1413465664 /nfs/dbraw/zinc/46/56/64/1413465664.db2.gz NPWJESJYMKNKRP-VNQPRFMTSA-N 1 2 348.516 3.187 10 30 EGEELO C=C(C)CCC(=O)N1CCC[C@H]2C[N@H+]([C@H](C)c3nnc(C)s3)C[C@H]21 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342.487 3.066 10 30 EGEELO C=C[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)Cc1nc2ccccc2n1C ZINC001732591813 1428815866 /nfs/dbraw/zinc/81/58/66/1428815866.db2.gz RYBZKOAYOFPKMU-HXUWFJFHSA-N 1 2 342.487 3.066 10 30 EGEELO C[C@H]1[C@H](NC(=O)C#CC(C)(C)C)CCC[N@@H+]1Cc1ccc(F)cc1F ZINC001700880171 1414536266 /nfs/dbraw/zinc/53/62/66/1414536266.db2.gz WOIAKIAUWLEBDW-KBXCAEBGSA-N 1 2 348.437 3.483 10 30 EGEELO C[C@H]1[C@H](NC(=O)C#CC(C)(C)C)CCC[N@H+]1Cc1ccc(F)cc1F ZINC001700880171 1414536270 /nfs/dbraw/zinc/53/62/70/1414536270.db2.gz WOIAKIAUWLEBDW-KBXCAEBGSA-N 1 2 348.437 3.483 10 30 EGEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1nc(C)n2ccccc12)C(C)C ZINC001700973845 1414603687 /nfs/dbraw/zinc/60/36/87/1414603687.db2.gz ODFBSIWVGFFKAL-UHFFFAOYSA-N 1 2 348.878 3.178 10 30 EGEELO C=C(Cl)C[N@H+](C)CCN(C(=O)c1nc(C)n2ccccc12)C(C)C ZINC001700973845 1414603689 /nfs/dbraw/zinc/60/36/89/1414603689.db2.gz ODFBSIWVGFFKAL-UHFFFAOYSA-N 1 2 348.878 3.178 10 30 EGEELO C=CC(C)(C)C(=O)NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001701054910 1414710627 /nfs/dbraw/zinc/71/06/27/1414710627.db2.gz GGUASGMZVHOQOS-UHFFFAOYSA-N 1 2 349.456 3.117 10 30 EGEELO C=CC(C)(C)C(=O)NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001701054910 1414710630 /nfs/dbraw/zinc/71/06/30/1414710630.db2.gz GGUASGMZVHOQOS-UHFFFAOYSA-N 1 2 349.456 3.117 10 30 EGEELO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001701059416 1414716188 /nfs/dbraw/zinc/71/61/88/1414716188.db2.gz CUWCOBLBJPINOF-JSGCOSHPSA-N 1 2 343.309 3.326 10 30 EGEELO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001701059416 1414716191 /nfs/dbraw/zinc/71/61/91/1414716191.db2.gz CUWCOBLBJPINOF-JSGCOSHPSA-N 1 2 343.309 3.326 10 30 EGEELO Cc1ccc([C@@H](C)C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)o1 ZINC001732595835 1428831008 /nfs/dbraw/zinc/83/10/08/1428831008.db2.gz UZRWVCYIOVNEOD-MRXNPFEDSA-N 1 2 339.439 3.154 10 30 EGEELO Cc1ccc([C@@H](C)C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)o1 ZINC001732595835 1428831009 /nfs/dbraw/zinc/83/10/09/1428831009.db2.gz 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CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)nc1C ZINC000348492754 164755606 /nfs/dbraw/zinc/75/56/06/164755606.db2.gz LVPOJOGXGQMLET-GFCCVEGCSA-N 1 2 329.425 3.351 10 30 EGEELO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000350174975 165015735 /nfs/dbraw/zinc/01/57/35/165015735.db2.gz FDAMHIOBZVEILS-GOSISDBHSA-N 1 2 334.379 3.248 10 30 EGEELO N#Cc1cccc(N2CC[NH+](CCc3c(F)cccc3Cl)CC2)n1 ZINC000355075569 166100368 /nfs/dbraw/zinc/10/03/68/166100368.db2.gz ACLZMEVYKYRPTD-UHFFFAOYSA-N 1 2 344.821 3.110 10 30 EGEELO N#Cc1ccc(CN2CC[NH+](Cc3ccco3)CC2)c(C(F)(F)F)c1 ZINC000356083149 166395036 /nfs/dbraw/zinc/39/50/36/166395036.db2.gz JIPOEVLWZLMQIJ-UHFFFAOYSA-N 1 2 349.356 3.488 10 30 EGEELO CN(C)c1ccc(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c[nH+]1 ZINC000302681588 266521999 /nfs/dbraw/zinc/52/19/99/266521999.db2.gz SEYDEPQZWABGPS-UHFFFAOYSA-N 1 2 334.339 3.219 10 30 EGEELO Cc1cc([C@@H]2C[N@H+](CCOc3ccc(C#N)cc3)CCO2)ccc1F ZINC000491256244 268020990 /nfs/dbraw/zinc/02/09/90/268020990.db2.gz RUAWXGYEAQWYIG-FQEVSTJZSA-N 1 2 340.398 3.458 10 30 EGEELO Cc1cc([C@@H]2C[N@@H+](CCOc3ccc(C#N)cc3)CCO2)ccc1F ZINC000491256244 268020996 /nfs/dbraw/zinc/02/09/96/268020996.db2.gz RUAWXGYEAQWYIG-FQEVSTJZSA-N 1 2 340.398 3.458 10 30 EGEELO N#Cc1ccc([C@@H]([NH2+][C@H]2CCCc3sc(Cl)cc32)C(N)=O)cc1 ZINC000427857155 268262144 /nfs/dbraw/zinc/26/21/44/268262144.db2.gz HSDSYCIKCIHZCR-XJKSGUPXSA-N 1 2 345.855 3.467 10 30 EGEELO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000340194652 295076830 /nfs/dbraw/zinc/07/68/30/295076830.db2.gz ANDAVPDARDKXTM-MRXNPFEDSA-N 1 2 330.428 3.263 10 30 EGEELO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000340194652 295076834 /nfs/dbraw/zinc/07/68/34/295076834.db2.gz ANDAVPDARDKXTM-MRXNPFEDSA-N 1 2 330.428 3.263 10 30 EGEELO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)c1C#N ZINC000535963961 314085856 /nfs/dbraw/zinc/08/58/56/314085856.db2.gz PTEXHMAPBKEXHR-LJQANCHMSA-N 1 2 337.423 3.411 10 30 EGEELO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2c2cccn2C)c1C#N ZINC000535963961 314085859 /nfs/dbraw/zinc/08/58/59/314085859.db2.gz PTEXHMAPBKEXHR-LJQANCHMSA-N 1 2 337.423 3.411 10 30 EGEELO CCn1c2ccccc2nc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000536631954 314133002 /nfs/dbraw/zinc/13/30/02/314133002.db2.gz LPCSGRZHSYLGQF-UHFFFAOYSA-N 1 2 345.450 3.250 10 30 EGEELO N#Cc1c(C(F)F)cccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000555022150 315362594 /nfs/dbraw/zinc/36/25/94/315362594.db2.gz SJTULPHCTYXWPQ-UHFFFAOYSA-N 1 2 328.366 3.213 10 30 EGEELO Cn1c2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000563426787 316020466 /nfs/dbraw/zinc/02/04/66/316020466.db2.gz XAQPXQMYKCQZTP-UHFFFAOYSA-N 1 2 348.366 3.238 10 30 EGEELO N#Cc1cnn2cc(C[N@H+]3CCC[C@H]3c3ccc(F)cc3F)cnc12 ZINC000564985343 316241624 /nfs/dbraw/zinc/24/16/24/316241624.db2.gz GQADFKXCIYDHHY-KRWDZBQOSA-N 1 2 339.349 3.216 10 30 EGEELO N#Cc1cnn2cc(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3F)cnc12 ZINC000564985343 316241627 /nfs/dbraw/zinc/24/16/27/316241627.db2.gz GQADFKXCIYDHHY-KRWDZBQOSA-N 1 2 339.349 3.216 10 30 EGEELO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164623 460558084 /nfs/dbraw/zinc/55/80/84/460558084.db2.gz DYEURMMGZCRJKC-PXNSSMCTSA-N 1 2 327.472 3.438 10 30 EGEELO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164623 460558091 /nfs/dbraw/zinc/55/80/91/460558091.db2.gz DYEURMMGZCRJKC-PXNSSMCTSA-N 1 2 327.472 3.438 10 30 EGEELO C=CC[C@H]1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000623456558 460558355 /nfs/dbraw/zinc/55/83/55/460558355.db2.gz CNJYHQFADLTLGC-KRWDZBQOSA-N 1 2 342.487 3.426 10 30 EGEELO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000245572517 455332713 /nfs/dbraw/zinc/33/27/13/455332713.db2.gz YMIRWCFIJBTVPV-XJKSGUPXSA-N 1 2 329.425 3.007 10 30 EGEELO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000245572517 455332715 /nfs/dbraw/zinc/33/27/15/455332715.db2.gz YMIRWCFIJBTVPV-XJKSGUPXSA-N 1 2 329.425 3.007 10 30 EGEELO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000009048768 453241768 /nfs/dbraw/zinc/24/17/68/453241768.db2.gz OWGAMMJDMVFECU-YPMHNXCESA-N 1 2 325.334 3.160 10 30 EGEELO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000009048768 453241778 /nfs/dbraw/zinc/24/17/78/453241778.db2.gz OWGAMMJDMVFECU-YPMHNXCESA-N 1 2 325.334 3.160 10 30 EGEELO C[C@@H](c1ccccc1F)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000052837214 453846889 /nfs/dbraw/zinc/84/68/89/453846889.db2.gz JEYZUGQDDMMNSW-DJJJIMSYSA-N 1 2 329.419 3.160 10 30 EGEELO C[C@@H](c1ccccc1F)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000052837214 453846890 /nfs/dbraw/zinc/84/68/90/453846890.db2.gz JEYZUGQDDMMNSW-DJJJIMSYSA-N 1 2 329.419 3.160 10 30 EGEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccc(C)cc1 ZINC000083132338 453939320 /nfs/dbraw/zinc/93/93/20/453939320.db2.gz VFQZZVWJZQYEHN-IBGZPJMESA-N 1 2 338.407 3.092 10 30 EGEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccc(C)cc1 ZINC000083132338 453939322 /nfs/dbraw/zinc/93/93/22/453939322.db2.gz VFQZZVWJZQYEHN-IBGZPJMESA-N 1 2 338.407 3.092 10 30 EGEELO COc1cccc([C@@H]2C[N@H+](CCOc3cccc(C#N)c3)CCO2)c1 ZINC000119462421 454197406 /nfs/dbraw/zinc/19/74/06/454197406.db2.gz RSFSYHASRTZZIV-FQEVSTJZSA-N 1 2 338.407 3.019 10 30 EGEELO COc1cccc([C@@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCO2)c1 ZINC000119462421 454197411 /nfs/dbraw/zinc/19/74/11/454197411.db2.gz RSFSYHASRTZZIV-FQEVSTJZSA-N 1 2 338.407 3.019 10 30 EGEELO C=CCOc1ccccc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119505324 454200505 /nfs/dbraw/zinc/20/05/05/454200505.db2.gz SXLVENSPUHIFQL-MRXNPFEDSA-N 1 2 339.439 3.080 10 30 EGEELO N#CCCN(C(=O)C[N@@H+]1CCc2sccc2C1)c1ccc(F)cc1 ZINC000095947106 454236480 /nfs/dbraw/zinc/23/64/80/454236480.db2.gz FQPKPHXEMBDYOA-UHFFFAOYSA-N 1 2 343.427 3.192 10 30 EGEELO N#CCCN(C(=O)C[N@H+]1CCc2sccc2C1)c1ccc(F)cc1 ZINC000095947106 454236486 /nfs/dbraw/zinc/23/64/86/454236486.db2.gz FQPKPHXEMBDYOA-UHFFFAOYSA-N 1 2 343.427 3.192 10 30 EGEELO N#C[C@@H](C(=O)c1ccnc(-n2cc[nH+]c2)c1)c1nc2ccccc2s1 ZINC000122864869 454575923 /nfs/dbraw/zinc/57/59/23/454575923.db2.gz RBMAJRPSKKMJDI-ZDUSSCGKSA-N 1 2 345.387 3.367 10 30 EGEELO N#CCCCOc1cccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831485 454643488 /nfs/dbraw/zinc/64/34/88/454643488.db2.gz SHDVGJLKZSCVSG-QGZVFWFLSA-N 1 2 343.452 3.399 10 30 EGEELO N#CCCCOc1cccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831485 454643495 /nfs/dbraw/zinc/64/34/95/454643495.db2.gz SHDVGJLKZSCVSG-QGZVFWFLSA-N 1 2 343.452 3.399 10 30 EGEELO C[N@H+](Cc1ccnc(C#N)c1)Cc1ccc(F)cc1Br ZINC000616869583 460650492 /nfs/dbraw/zinc/65/04/92/460650492.db2.gz WRQLNHMZDOPICA-UHFFFAOYSA-N 1 2 334.192 3.487 10 30 EGEELO C[N@@H+](Cc1ccnc(C#N)c1)Cc1ccc(F)cc1Br ZINC000616869583 460650498 /nfs/dbraw/zinc/65/04/98/460650498.db2.gz WRQLNHMZDOPICA-UHFFFAOYSA-N 1 2 334.192 3.487 10 30 EGEELO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000093612002 454724058 /nfs/dbraw/zinc/72/40/58/454724058.db2.gz CQYLQEHRTNIIOH-NSHDSACASA-N 1 2 331.231 3.344 10 30 EGEELO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000093612002 454724062 /nfs/dbraw/zinc/72/40/62/454724062.db2.gz CQYLQEHRTNIIOH-NSHDSACASA-N 1 2 331.231 3.344 10 30 EGEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177793286 454905563 /nfs/dbraw/zinc/90/55/63/454905563.db2.gz NOKYXFZNTKXWGW-CQSZACIVSA-N 1 2 333.501 3.043 10 30 EGEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177793286 454905568 /nfs/dbraw/zinc/90/55/68/454905568.db2.gz NOKYXFZNTKXWGW-CQSZACIVSA-N 1 2 333.501 3.043 10 30 EGEELO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1Cl ZINC000114202861 454948167 /nfs/dbraw/zinc/94/81/67/454948167.db2.gz PTQJBBRXNFXFOO-MRXNPFEDSA-N 1 2 343.818 3.100 10 30 EGEELO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1Cl ZINC000114202861 454948170 /nfs/dbraw/zinc/94/81/70/454948170.db2.gz PTQJBBRXNFXFOO-MRXNPFEDSA-N 1 2 343.818 3.100 10 30 EGEELO Cc1ncc(CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000118398019 455104601 /nfs/dbraw/zinc/10/46/01/455104601.db2.gz MGIKGWYTMXFHNW-CQSZACIVSA-N 1 2 326.469 3.202 10 30 EGEELO Cc1ncc(C[NH+]2CCN([C@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000118398019 455104602 /nfs/dbraw/zinc/10/46/02/455104602.db2.gz MGIKGWYTMXFHNW-CQSZACIVSA-N 1 2 326.469 3.202 10 30 EGEELO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1F ZINC000192125663 455560442 /nfs/dbraw/zinc/56/04/42/455560442.db2.gz PRWSTHZPZWKLRS-RDTXWAMCSA-N 1 2 332.325 3.283 10 30 EGEELO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1F ZINC000192125663 455560444 /nfs/dbraw/zinc/56/04/44/455560444.db2.gz PRWSTHZPZWKLRS-RDTXWAMCSA-N 1 2 332.325 3.283 10 30 EGEELO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1cccc(CC#N)c1)CCCC2 ZINC000284725580 455732383 /nfs/dbraw/zinc/73/23/83/455732383.db2.gz WJENMXVRAPCHKX-IBGZPJMESA-N 1 2 348.450 3.342 10 30 EGEELO C=CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249132666 455744953 /nfs/dbraw/zinc/74/49/53/455744953.db2.gz FQZLEBGIMNFTFO-HUUCEWRRSA-N 1 2 325.815 3.052 10 30 EGEELO C=CCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249132666 455744957 /nfs/dbraw/zinc/74/49/57/455744957.db2.gz FQZLEBGIMNFTFO-HUUCEWRRSA-N 1 2 325.815 3.052 10 30 EGEELO C=CCC(F)(F)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000293041125 455772950 /nfs/dbraw/zinc/77/29/50/455772950.db2.gz JTXFSBZOZYBLGP-KBPBESRZSA-N 1 2 338.398 3.446 10 30 EGEELO C=CCC(F)(F)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000294412248 455814735 /nfs/dbraw/zinc/81/47/35/455814735.db2.gz DZWAJURGUAHMLI-ZIAGYGMSSA-N 1 2 330.325 3.038 10 30 EGEELO C=CCC(F)(F)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000294412248 455814740 /nfs/dbraw/zinc/81/47/40/455814740.db2.gz DZWAJURGUAHMLI-ZIAGYGMSSA-N 1 2 330.325 3.038 10 30 EGEELO C[C@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000285532180 455864988 /nfs/dbraw/zinc/86/49/88/455864988.db2.gz CPUMYJOKZMNWAL-BLLLJJGKSA-N 1 2 328.803 3.131 10 30 EGEELO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000279806405 455873742 /nfs/dbraw/zinc/87/37/42/455873742.db2.gz NHLNTWGFQMMJCD-UHFFFAOYSA-N 1 2 345.406 3.089 10 30 EGEELO C=CC[C@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000187891866 455966048 /nfs/dbraw/zinc/96/60/48/455966048.db2.gz WTOGOXSKNMUEFJ-SFHVURJKSA-N 1 2 332.407 3.243 10 30 EGEELO CC1(C#N)CC[NH+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000272509453 455975149 /nfs/dbraw/zinc/97/51/49/455975149.db2.gz FWWRSASKXOITOM-HNNXBMFYSA-N 1 2 335.810 3.210 10 30 EGEELO CN(C)c1cc(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc[nH+]1 ZINC000301325417 456091386 /nfs/dbraw/zinc/09/13/86/456091386.db2.gz ANWDXCVUSZDIGD-UHFFFAOYSA-N 1 2 348.366 3.088 10 30 EGEELO Cn1cc(C[NH2+]Cc2noc3c2CCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000288357019 456093049 /nfs/dbraw/zinc/09/30/49/456093049.db2.gz CNVXDWGEFRGWLN-UHFFFAOYSA-N 1 2 347.422 3.115 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1C ZINC000281523518 456257693 /nfs/dbraw/zinc/25/76/93/456257693.db2.gz VPOPIGIPVUQRRC-LJQANCHMSA-N 1 2 340.471 3.434 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1C ZINC000281523518 456257698 /nfs/dbraw/zinc/25/76/98/456257698.db2.gz VPOPIGIPVUQRRC-LJQANCHMSA-N 1 2 340.471 3.434 10 30 EGEELO CCOc1c(Cl)cc(C[NH2+]Cc2nc(C#N)cs2)cc1OC ZINC000352832736 456347365 /nfs/dbraw/zinc/34/73/65/456347365.db2.gz GMDQNISXMWVEIE-UHFFFAOYSA-N 1 2 337.832 3.365 10 30 EGEELO C[N@H+](Cc1cccc(C#N)c1F)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000352895551 456397313 /nfs/dbraw/zinc/39/73/13/456397313.db2.gz XSBRZIKPYNLMGZ-QGZVFWFLSA-N 1 2 341.361 3.074 10 30 EGEELO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000352895551 456397316 /nfs/dbraw/zinc/39/73/16/456397316.db2.gz XSBRZIKPYNLMGZ-QGZVFWFLSA-N 1 2 341.361 3.074 10 30 EGEELO N#CCc1cccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282236829 456451942 /nfs/dbraw/zinc/45/19/42/456451942.db2.gz IDFLQIFGNBJANW-SFHVURJKSA-N 1 2 348.450 3.305 10 30 EGEELO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(C#N)c1C ZINC000348234072 456556253 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ZINC000488537833 459545695 /nfs/dbraw/zinc/54/56/95/459545695.db2.gz BLAFPRCYCXJEAV-JKSUJKDBSA-N 1 2 339.842 3.490 10 30 EGEELO CCn1cc[nH+]c1[C@@H]1CCCCN1c1nc2ncccc2cc1C#N ZINC000596216263 459563568 /nfs/dbraw/zinc/56/35/68/459563568.db2.gz KTONHKOMYKKXOH-INIZCTEOSA-N 1 2 332.411 3.449 10 30 EGEELO N#C[C@H](C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccccn1 ZINC000489854353 459571113 /nfs/dbraw/zinc/57/11/13/459571113.db2.gz HNTHLGZNCQWTSM-LBPRGKRZSA-N 1 2 339.305 3.090 10 30 EGEELO C=CC[N@@H+](Cc1cc(C(F)(F)F)nn1C)Cc1cccc(C#N)c1 ZINC000596999648 459815287 /nfs/dbraw/zinc/81/52/87/459815287.db2.gz GKTVQNOVOIMPEO-UHFFFAOYSA-N 1 2 334.345 3.499 10 30 EGEELO C=CC[N@H+](Cc1cc(C(F)(F)F)nn1C)Cc1cccc(C#N)c1 ZINC000596999648 459815291 /nfs/dbraw/zinc/81/52/91/459815291.db2.gz GKTVQNOVOIMPEO-UHFFFAOYSA-N 1 2 334.345 3.499 10 30 EGEELO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000585767577 459844751 /nfs/dbraw/zinc/84/47/51/459844751.db2.gz ZVZCLLBEKDFPIQ-HNNXBMFYSA-N 1 2 349.413 3.056 10 30 EGEELO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000585767577 459844758 /nfs/dbraw/zinc/84/47/58/459844758.db2.gz ZVZCLLBEKDFPIQ-HNNXBMFYSA-N 1 2 349.413 3.056 10 30 EGEELO CC1(c2nnc(-c3cccc(F)c3)o2)C[NH+](Cc2ccc(C#N)o2)C1 ZINC000597259797 459899484 /nfs/dbraw/zinc/89/94/84/459899484.db2.gz IMCYRZPJUNZVHO-UHFFFAOYSA-N 1 2 338.342 3.114 10 30 EGEELO CCOC(=O)c1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)on1 ZINC000602482914 459961434 /nfs/dbraw/zinc/96/14/34/459961434.db2.gz JMNRSOHRFJWMKC-FUHWJXTLSA-N 1 2 339.395 3.123 10 30 EGEELO CCOC(=O)c1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)on1 ZINC000602482914 459961440 /nfs/dbraw/zinc/96/14/40/459961440.db2.gz JMNRSOHRFJWMKC-FUHWJXTLSA-N 1 2 339.395 3.123 10 30 EGEELO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3(C#N)CCCC3)c2C1 ZINC000593774393 459982108 /nfs/dbraw/zinc/98/21/08/459982108.db2.gz ZOCBIQFVOHJKAC-UHFFFAOYSA-N 1 2 348.450 3.036 10 30 EGEELO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3(C#N)CCCC3)c2C1 ZINC000593774393 459982113 /nfs/dbraw/zinc/98/21/13/459982113.db2.gz ZOCBIQFVOHJKAC-UHFFFAOYSA-N 1 2 348.450 3.036 10 30 EGEELO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1C#N ZINC000597719494 460038573 /nfs/dbraw/zinc/03/85/73/460038573.db2.gz HLSPKGLQZQEQBP-GFCCVEGCSA-N 1 2 338.411 3.202 10 30 EGEELO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1C#N ZINC000597719494 460038579 /nfs/dbraw/zinc/03/85/79/460038579.db2.gz HLSPKGLQZQEQBP-GFCCVEGCSA-N 1 2 338.411 3.202 10 30 EGEELO C=C(C)C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)C(=O)OC ZINC000602735617 460096008 /nfs/dbraw/zinc/09/60/08/460096008.db2.gz YPPQRZAAXULZEZ-MRXNPFEDSA-N 1 2 338.398 3.031 10 30 EGEELO N#CCCCCC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000594335464 460188977 /nfs/dbraw/zinc/18/89/77/460188977.db2.gz PBENDXHUGSWCLR-UHFFFAOYSA-N 1 2 336.439 3.094 10 30 EGEELO C=CCCC[C@H](C)[N@@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000625667231 460233324 /nfs/dbraw/zinc/23/33/24/460233324.db2.gz XPERMAKKHNBVHZ-YJBOKZPZSA-N 1 2 337.485 3.208 10 30 EGEELO C=CCCC[C@H](C)[N@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000625667231 460233328 /nfs/dbraw/zinc/23/33/28/460233328.db2.gz XPERMAKKHNBVHZ-YJBOKZPZSA-N 1 2 337.485 3.208 10 30 EGEELO C[C@@H]1CCN(c2c(C#N)cnn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000603310601 460281934 /nfs/dbraw/zinc/28/19/34/460281934.db2.gz IFWBYTATZGMYPM-QAPCUYQASA-N 1 2 332.411 3.028 10 30 EGEELO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)CC2 ZINC000599614025 460288362 /nfs/dbraw/zinc/28/83/62/460288362.db2.gz PPOFTZWAQJMXAQ-QRVBRYPASA-N 1 2 348.450 3.052 10 30 EGEELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675057 460305126 /nfs/dbraw/zinc/30/51/26/460305126.db2.gz HYYONZUCMYXVRC-UHFFFAOYSA-N 1 2 337.379 3.228 10 30 EGEELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675057 460305129 /nfs/dbraw/zinc/30/51/29/460305129.db2.gz HYYONZUCMYXVRC-UHFFFAOYSA-N 1 2 337.379 3.228 10 30 EGEELO CN(c1nc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cs1)C1CC1 ZINC000599676304 460306741 /nfs/dbraw/zinc/30/67/41/460306741.db2.gz AKJMTWYBBDNOKS-UHFFFAOYSA-N 1 2 338.480 3.366 10 30 EGEELO CN(c1nc(C[N@H+]2CCc3c(CC#N)cccc3C2)cs1)C1CC1 ZINC000599676304 460306743 /nfs/dbraw/zinc/30/67/43/460306743.db2.gz AKJMTWYBBDNOKS-UHFFFAOYSA-N 1 2 338.480 3.366 10 30 EGEELO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679470 460308485 /nfs/dbraw/zinc/30/84/85/460308485.db2.gz TYRRGVPHQVYUKR-AWEZNQCLSA-N 1 2 345.406 3.317 10 30 EGEELO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679470 460308486 /nfs/dbraw/zinc/30/84/86/460308486.db2.gz TYRRGVPHQVYUKR-AWEZNQCLSA-N 1 2 345.406 3.317 10 30 EGEELO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)[C@H](F)C2)c1C ZINC000611502561 460379504 /nfs/dbraw/zinc/37/95/04/460379504.db2.gz VGMPJAZPBOIZPW-DOTOQJQBSA-N 1 2 331.435 3.230 10 30 EGEELO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@H](F)C2)c1C ZINC000611502561 460379507 /nfs/dbraw/zinc/37/95/07/460379507.db2.gz VGMPJAZPBOIZPW-DOTOQJQBSA-N 1 2 331.435 3.230 10 30 EGEELO N#C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000619784574 460443697 /nfs/dbraw/zinc/44/36/97/460443697.db2.gz BRVOFBZCCIZQFZ-GOSISDBHSA-N 1 2 326.831 3.117 10 30 EGEELO N#Cc1cnc(NCc2ccc[nH+]c2N2CCCC2)c2sccc21 ZINC000601191764 460746241 /nfs/dbraw/zinc/74/62/41/460746241.db2.gz QHWBZEOVSQIQMW-UHFFFAOYSA-N 1 2 335.436 3.197 10 30 EGEELO C[C@H](c1nccs1)[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000613333160 460913915 /nfs/dbraw/zinc/91/39/15/460913915.db2.gz PSHUFJJDTWXZLB-CQSZACIVSA-N 1 2 349.463 3.446 10 30 EGEELO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635918866 460975374 /nfs/dbraw/zinc/97/53/74/460975374.db2.gz FOCBOKFTIPEXCK-GOSISDBHSA-N 1 2 345.443 3.161 10 30 EGEELO C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000624505382 461032221 /nfs/dbraw/zinc/03/22/21/461032221.db2.gz INYPBQCTVADGNY-HNNXBMFYSA-N 1 2 327.403 3.108 10 30 EGEELO C[N@@H+](Cc1cccc(F)c1OCC(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000628280022 461070321 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C=CC[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000661412864 462237188 /nfs/dbraw/zinc/23/71/88/462237188.db2.gz VWPBTPHHSUUTAF-RBUKOAKNSA-N 1 2 342.487 3.044 10 30 EGEELO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000661417207 462239386 /nfs/dbraw/zinc/23/93/86/462239386.db2.gz FSWSIZHOIMBJIT-KBAYOESNSA-N 1 2 329.444 3.379 10 30 EGEELO N#CC1(NC(=O)C[N@H+](Cc2ccco2)Cc2cccs2)CCCC1 ZINC000007580887 526434468 /nfs/dbraw/zinc/43/44/68/526434468.db2.gz JZQRZIOIMGBPHP-UHFFFAOYSA-N 1 2 343.452 3.296 10 30 EGEELO N#CC1(NC(=O)C[N@@H+](Cc2ccco2)Cc2cccs2)CCCC1 ZINC000007580887 526434475 /nfs/dbraw/zinc/43/44/75/526434475.db2.gz JZQRZIOIMGBPHP-UHFFFAOYSA-N 1 2 343.452 3.296 10 30 EGEELO C=CC[NH+](CC=C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000175718607 547012897 /nfs/dbraw/zinc/01/28/97/547012897.db2.gz ICGMSWDBULMBDN-UHFFFAOYSA-N 1 2 327.409 3.419 10 30 EGEELO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677732508 549321945 /nfs/dbraw/zinc/32/19/45/549321945.db2.gz HKCOIUZDYXYVCV-CYBMUJFWSA-N 1 2 340.439 3.382 10 30 EGEELO C=CCOCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000679486176 549718676 /nfs/dbraw/zinc/71/86/76/549718676.db2.gz RYFVQLGWBLOLHU-UHFFFAOYSA-N 1 2 345.468 3.428 10 30 EGEELO N#CCOc1ccc(Cl)cc1CO[NH+]=C(N)Cc1ccccc1 ZINC000735303572 575637219 /nfs/dbraw/zinc/63/72/19/575637219.db2.gz VZMATOSOJLDMHC-UHFFFAOYSA-N 1 2 329.787 3.484 10 30 EGEELO Cc1c(C(=O)/C=C/c2c[nH+]c3ccc(C#N)cn23)c(C#N)c2n1CCC2 ZINC000736433936 575960310 /nfs/dbraw/zinc/96/03/10/575960310.db2.gz MATBJRRSFCMRKM-AATRIKPKSA-N 1 2 341.374 3.030 10 30 EGEELO CN(CC1CCCCC1)C(=O)CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000742353280 576771930 /nfs/dbraw/zinc/77/19/30/576771930.db2.gz YPZSTTWMSVGCFA-UHFFFAOYSA-N 1 2 337.851 3.016 10 30 EGEELO CC(C)(C)Oc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000871933411 1296621478 /nfs/dbraw/zinc/62/14/78/1296621478.db2.gz NXRWVKXRKSOBQE-SFHVURJKSA-N 1 2 337.423 3.052 10 30 EGEELO c1ccc(N2CCC(=NNCc3ccc4ccccc4n3)CC2)[nH+]c1 ZINC000872408592 1296943486 /nfs/dbraw/zinc/94/34/86/1296943486.db2.gz BJRORCLIXNXJHX-UHFFFAOYSA-N 1 2 331.423 3.376 10 30 EGEELO C=C(Cl)C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)C(=O)OCC ZINC000877671853 1299468836 /nfs/dbraw/zinc/46/88/36/1299468836.db2.gz QFCREBYJBDTKTI-DOTOQJQBSA-N 1 2 336.863 3.177 10 30 EGEELO C=C1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000893922596 1306131748 /nfs/dbraw/zinc/13/17/48/1306131748.db2.gz HXRZVOUXIOSBSE-SJORKVTESA-N 1 2 335.398 3.072 10 30 EGEELO C=C1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000893922596 1306131751 /nfs/dbraw/zinc/13/17/51/1306131751.db2.gz HXRZVOUXIOSBSE-SJORKVTESA-N 1 2 335.398 3.072 10 30 EGEELO C#CCC1(O)CCN(c2c(Cl)c[nH+]c3ccc(OC)cc32)CC1 ZINC000895160398 1309216717 /nfs/dbraw/zinc/21/67/17/1309216717.db2.gz HSHGAVWLNJKYNL-UHFFFAOYSA-N 1 2 330.815 3.251 10 30 EGEELO C=C(C)C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)OCC ZINC000895597540 1309421943 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Cc1cc(C)c(CNC(=O)NC(C)(C)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000922782557 1322616471 /nfs/dbraw/zinc/61/64/71/1322616471.db2.gz JUUMYOXHNNKZRL-UHFFFAOYSA-N 1 2 336.439 3.391 10 30 EGEELO CC[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc(C#N)c1O ZINC000925258278 1325101947 /nfs/dbraw/zinc/10/19/47/1325101947.db2.gz QWAZGBMVUJCZAB-YOEHRIQHSA-N 1 2 340.402 3.118 10 30 EGEELO CC[C@H]([NH2+]CCCNC(=O)c1occc1C)c1cccc(C#N)c1O ZINC000925454352 1325157572 /nfs/dbraw/zinc/15/75/72/1325157572.db2.gz PUEOCSZHCCRKDG-INIZCTEOSA-N 1 2 341.411 3.026 10 30 EGEELO CC[C@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1cccc(C#N)c1O ZINC000926198937 1325466894 /nfs/dbraw/zinc/46/68/94/1325466894.db2.gz NCPVXABLOMLMMQ-DOMZBBRYSA-N 1 2 333.432 3.218 10 30 EGEELO CC[C@H]([NH2+]Cc1c(Br)cnn1C)c1cccc(C#N)c1O ZINC000926782316 1327715999 /nfs/dbraw/zinc/71/59/99/1327715999.db2.gz YDOOFZZPZYENPL-ZDUSSCGKSA-N 1 2 349.232 3.001 10 30 EGEELO CC[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1cccc(C#N)c1O ZINC000926869896 1327747544 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C=CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(OC)ccc1Cl ZINC001324129221 1387545579 /nfs/dbraw/zinc/54/55/79/1387545579.db2.gz JUKBKIPJBGPFJG-OAHLLOKOSA-N 1 2 336.863 3.395 10 30 EGEELO C=CCC1(C(=O)N2CCC[C@H]2C[NH2+]Cc2cnsn2)CCCCC1 ZINC001324274114 1387577365 /nfs/dbraw/zinc/57/73/65/1387577365.db2.gz RTSDOHVCRUHONV-INIZCTEOSA-N 1 2 348.516 3.145 10 30 EGEELO CC(C)=CC(=O)NC[C@@]1(C)CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001324911214 1387823640 /nfs/dbraw/zinc/82/36/40/1387823640.db2.gz YLDGBFHMTNSBLB-HXUWFJFHSA-N 1 2 343.446 3.382 10 30 EGEELO CC(C)=CC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001324911214 1387823645 /nfs/dbraw/zinc/82/36/45/1387823645.db2.gz YLDGBFHMTNSBLB-HXUWFJFHSA-N 1 2 343.446 3.382 10 30 EGEELO C=C1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CC)CC1 ZINC001121687271 1372046551 /nfs/dbraw/zinc/04/65/51/1372046551.db2.gz VZEHQPQFLFCDQS-MRXNPFEDSA-N 1 2 328.464 3.286 10 30 EGEELO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](CCF)C1 ZINC001122626446 1372286363 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C#CCCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001265642958 1377157746 /nfs/dbraw/zinc/15/77/46/1377157746.db2.gz CZYCQEMKPOKSND-QGZVFWFLSA-N 1 2 347.890 3.399 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001266233325 1377239725 /nfs/dbraw/zinc/23/97/25/1377239725.db2.gz IZURUKBQNSJKIL-INIZCTEOSA-N 1 2 339.439 3.102 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001266233325 1377239726 /nfs/dbraw/zinc/23/97/26/1377239726.db2.gz IZURUKBQNSJKIL-INIZCTEOSA-N 1 2 339.439 3.102 10 30 EGEELO C[C@@H]1CC[C@H](CC(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001266311873 1377268907 /nfs/dbraw/zinc/26/89/07/1377268907.db2.gz LAVVJEQIULZKNR-CABCVRRESA-N 1 2 331.435 3.072 10 30 EGEELO C[C@@H]1CC[C@H](CC(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC001266311873 1377268908 /nfs/dbraw/zinc/26/89/08/1377268908.db2.gz LAVVJEQIULZKNR-CABCVRRESA-N 1 2 331.435 3.072 10 30 EGEELO C=C[C@H](CC)CC(=O)NCC[N@H+](C)Cc1nc2ccc(F)cc2o1 ZINC001266312160 1377269929 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348.849 3.362 10 30 EGEELO C[C@H]1[C@@H](NC(=O)C#CC2CC2)CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC001284119138 1379493825 /nfs/dbraw/zinc/49/38/25/1379493825.db2.gz CBSGKRXPDALMBY-UGSOOPFHSA-N 1 2 348.849 3.362 10 30 EGEELO C=CC(C)(C)CCCNC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001154223271 1380232571 /nfs/dbraw/zinc/23/25/71/1380232571.db2.gz GFLZGGRXMSZCQO-SFHVURJKSA-N 1 2 330.472 3.378 10 30 EGEELO C=CC(C)(C)CCCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001154223271 1380232572 /nfs/dbraw/zinc/23/25/72/1380232572.db2.gz GFLZGGRXMSZCQO-SFHVURJKSA-N 1 2 330.472 3.378 10 30 EGEELO C=CCCCC(=O)N[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001284867390 1380286405 /nfs/dbraw/zinc/28/64/05/1380286405.db2.gz JTBXUUUYUIDZGS-KRWDZBQOSA-N 1 2 343.471 3.084 10 30 EGEELO Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C(C)(C)C2)oc1C ZINC001328084061 1388666743 /nfs/dbraw/zinc/66/67/43/1388666743.db2.gz WXQWNXSNAMDLRA-MRXNPFEDSA-N 1 2 345.487 3.058 10 30 EGEELO Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C(C)(C)C2)oc1C ZINC001328084061 1388666745 /nfs/dbraw/zinc/66/67/45/1388666745.db2.gz WXQWNXSNAMDLRA-MRXNPFEDSA-N 1 2 345.487 3.058 10 30 EGEELO C=CCN(C)c1nnc(C(C)(C)C)n1CCc1cn2ccccc2[nH+]1 ZINC001286715457 1381131145 /nfs/dbraw/zinc/13/11/45/1381131145.db2.gz IUEVNBGKMVMZFT-UHFFFAOYSA-N 1 2 338.459 3.088 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2nc(CCC)no2)[C@H](C)C1 ZINC001328262307 1388702326 /nfs/dbraw/zinc/70/23/26/1388702326.db2.gz XMNDEKQKFHQKHM-HUUCEWRRSA-N 1 2 348.491 3.094 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](Cc2nc(CCC)no2)[C@H](C)C1 ZINC001328262307 1388702327 /nfs/dbraw/zinc/70/23/27/1388702327.db2.gz XMNDEKQKFHQKHM-HUUCEWRRSA-N 1 2 348.491 3.094 10 30 EGEELO C#CCCCCCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cscn1 ZINC001328752436 1388843727 /nfs/dbraw/zinc/84/37/27/1388843727.db2.gz HSPNCJQIIWJPQE-KRWDZBQOSA-N 1 2 333.501 3.150 10 30 EGEELO C#CCCCCCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cscn1 ZINC001328752436 1388843731 /nfs/dbraw/zinc/84/37/31/1388843731.db2.gz HSPNCJQIIWJPQE-KRWDZBQOSA-N 1 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C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001330045713 1389293013 /nfs/dbraw/zinc/29/30/13/1389293013.db2.gz DIJZLSMOZRPZBX-HUUCEWRRSA-N 1 2 342.911 3.303 10 30 EGEELO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001330200649 1389337973 /nfs/dbraw/zinc/33/79/73/1389337973.db2.gz AFWGAZYCNLGVQJ-GOSISDBHSA-N 1 2 343.446 3.380 10 30 EGEELO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001330200649 1389337977 /nfs/dbraw/zinc/33/79/77/1389337977.db2.gz AFWGAZYCNLGVQJ-GOSISDBHSA-N 1 2 343.446 3.380 10 30 EGEELO CC1(C)C[N@H+](Cc2cc(Cl)ccc2F)C[C@H]1NC(=O)C#CC1CC1 ZINC001330201084 1389338119 /nfs/dbraw/zinc/33/81/19/1389338119.db2.gz CPAVIPCPKDCUOD-QGZVFWFLSA-N 1 2 348.849 3.219 10 30 EGEELO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2F)C[C@H]1NC(=O)C#CC1CC1 ZINC001330201084 1389338123 /nfs/dbraw/zinc/33/81/23/1389338123.db2.gz CPAVIPCPKDCUOD-QGZVFWFLSA-N 1 2 348.849 3.219 10 30 EGEELO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC1(C)C ZINC001330219561 1389345507 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EGEELO C=CCCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C(C)(C)C1 ZINC001332356924 1390095251 /nfs/dbraw/zinc/09/52/51/1390095251.db2.gz JXYXGYOMAZADLZ-UONOGXRCSA-N 1 2 334.464 3.047 10 30 EGEELO C=CCCC(=O)N(CC[N@H+](C)Cc1nc2ccccc2o1)C(C)C ZINC001332693554 1390155354 /nfs/dbraw/zinc/15/53/54/1390155354.db2.gz RDMBIOIBXKRLEO-UHFFFAOYSA-N 1 2 329.444 3.463 10 30 EGEELO C=CCCC(=O)N(CC[N@@H+](C)Cc1nc2ccccc2o1)C(C)C ZINC001332693554 1390155356 /nfs/dbraw/zinc/15/53/56/1390155356.db2.gz RDMBIOIBXKRLEO-UHFFFAOYSA-N 1 2 329.444 3.463 10 30 EGEELO C=CCCCN(CC)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC=C ZINC001340203904 1390248999 /nfs/dbraw/zinc/24/89/99/1390248999.db2.gz AZFDSSMGFOBHII-KRWDZBQOSA-N 1 2 347.507 3.038 10 30 EGEELO C=CCCCN(CC)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC=C ZINC001340203904 1390249001 /nfs/dbraw/zinc/24/90/01/1390249001.db2.gz AZFDSSMGFOBHII-KRWDZBQOSA-N 1 2 347.507 3.038 10 30 EGEELO C=CCn1c([C@H](C)CC)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001341933569 1390551660 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EGEELO C=C(CC(C)C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001346547205 1390953646 /nfs/dbraw/zinc/95/36/46/1390953646.db2.gz UKCXPHITYYGRIO-UHFFFAOYSA-N 1 2 329.488 3.440 10 30 EGEELO C=CCCC(=O)NC[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(C)(C)C ZINC001488514402 1391670966 /nfs/dbraw/zinc/67/09/66/1391670966.db2.gz YHWBIYLMFLESDU-MRXNPFEDSA-N 1 2 345.487 3.234 10 30 EGEELO C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1noc(CCC)n1 ZINC001479820995 1392411555 /nfs/dbraw/zinc/41/15/55/1392411555.db2.gz DEIOZFFVWNQJBB-CVEARBPZSA-N 1 2 348.491 3.238 10 30 EGEELO C#CCCCC(=O)N(C)C1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC001479886452 1392458455 /nfs/dbraw/zinc/45/84/55/1392458455.db2.gz RSNZYABXQAYXIA-UHFFFAOYSA-N 1 2 345.487 3.198 10 30 EGEELO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001479952076 1392490429 /nfs/dbraw/zinc/49/04/29/1392490429.db2.gz DTEALDRZTMBBCE-HIFRSBDPSA-N 1 2 334.410 3.266 10 30 EGEELO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001479952076 1392490431 /nfs/dbraw/zinc/49/04/31/1392490431.db2.gz DTEALDRZTMBBCE-HIFRSBDPSA-N 1 2 334.410 3.266 10 30 EGEELO Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)C#CC(C)(C)C)sc1C ZINC001480319644 1392679221 /nfs/dbraw/zinc/67/92/21/1392679221.db2.gz YMEVHYJBKRDKJW-MRXNPFEDSA-N 1 2 347.528 3.280 10 30 EGEELO Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)C#CC(C)(C)C)sc1C ZINC001480319644 1392679225 /nfs/dbraw/zinc/67/92/25/1392679225.db2.gz YMEVHYJBKRDKJW-MRXNPFEDSA-N 1 2 347.528 3.280 10 30 EGEELO C=C[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ncc(C2CC2)o1)c1ccccc1 ZINC001480598983 1392813515 /nfs/dbraw/zinc/81/35/15/1392813515.db2.gz YKZBPASLHKDZBZ-YOEHRIQHSA-N 1 2 339.439 3.116 10 30 EGEELO CC(C)c1ocnc1C[N@H+](C)[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001480725796 1392886297 /nfs/dbraw/zinc/88/62/97/1392886297.db2.gz XECIZCQJRRXVBN-INIZCTEOSA-N 1 2 345.487 3.270 10 30 EGEELO CC(C)c1ocnc1C[N@@H+](C)[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001480725796 1392886303 /nfs/dbraw/zinc/88/63/03/1392886303.db2.gz XECIZCQJRRXVBN-INIZCTEOSA-N 1 2 345.487 3.270 10 30 EGEELO C#CCCCC(=O)N1CCC[C@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC001480725910 1392886394 /nfs/dbraw/zinc/88/63/94/1392886394.db2.gz SUSYIWHJYJPEMR-HNNXBMFYSA-N 1 2 334.410 3.191 10 30 EGEELO C#CCCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC001480725910 1392886398 /nfs/dbraw/zinc/88/63/98/1392886398.db2.gz SUSYIWHJYJPEMR-HNNXBMFYSA-N 1 2 334.410 3.191 10 30 EGEELO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001481073315 1393113663 /nfs/dbraw/zinc/11/36/63/1393113663.db2.gz KBWHHDJKOYMHBQ-DYVFJYSZSA-N 1 2 338.854 3.337 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001481073315 1393113664 /nfs/dbraw/zinc/11/36/64/1393113664.db2.gz KBWHHDJKOYMHBQ-DYVFJYSZSA-N 1 2 338.854 3.337 10 30 EGEELO C=C1CCC(C(=O)N(C)CC[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC001481276738 1393156844 /nfs/dbraw/zinc/15/68/44/1393156844.db2.gz FNLNYWCMZFKQIT-AWEZNQCLSA-N 1 2 348.491 3.223 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)C1CC[NH+]([C@H](C)c2nc(CC)no2)CC1 ZINC001490414932 1394218973 /nfs/dbraw/zinc/21/89/73/1394218973.db2.gz RVWMOQUECNVABN-CQSZACIVSA-N 1 2 348.491 3.218 10 30 EGEELO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2snc(Cl)c2Cl)C1 ZINC001481400759 1394249588 /nfs/dbraw/zinc/24/95/88/1394249588.db2.gz SSJKEBJZZSZKNF-JTQLQIEISA-N 1 2 346.283 3.010 10 30 EGEELO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2snc(Cl)c2Cl)C1 ZINC001481400759 1394249592 /nfs/dbraw/zinc/24/95/92/1394249592.db2.gz SSJKEBJZZSZKNF-JTQLQIEISA-N 1 2 346.283 3.010 10 30 EGEELO C#Cc1ccccc1CC(=O)N(CCC)[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001481410859 1394269014 /nfs/dbraw/zinc/26/90/14/1394269014.db2.gz OXYLOFRAEUBGFY-IBGZPJMESA-N 1 2 344.886 3.276 10 30 EGEELO C#Cc1ccccc1CC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001481410859 1394269017 /nfs/dbraw/zinc/26/90/17/1394269017.db2.gz OXYLOFRAEUBGFY-IBGZPJMESA-N 1 2 344.886 3.276 10 30 EGEELO C=C(C)CCC(=O)N1CCC[C@@H](C[N@H+](C)[C@@H](C)c2csnn2)C1 ZINC001490759699 1394322664 /nfs/dbraw/zinc/32/26/64/1394322664.db2.gz VOIPILZWCFTESC-GJZGRUSLSA-N 1 2 336.505 3.126 10 30 EGEELO C=C(C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2csnn2)C1 ZINC001490759699 1394322659 /nfs/dbraw/zinc/32/26/59/1394322659.db2.gz VOIPILZWCFTESC-GJZGRUSLSA-N 1 2 336.505 3.126 10 30 EGEELO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CC(CNC(=O)C#CC2CC2)C1 ZINC001481623966 1394423567 /nfs/dbraw/zinc/42/35/67/1394423567.db2.gz HSPDOLKXNIFQJP-LBPRGKRZSA-N 1 2 334.822 3.002 10 30 EGEELO CC[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1)C(C)C ZINC001481708331 1394466748 /nfs/dbraw/zinc/46/67/48/1394466748.db2.gz BHTMNPGRUGIGHK-SJLPKXTDSA-N 1 2 345.462 3.460 10 30 EGEELO CC[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)C(C)C ZINC001481708331 1394466750 /nfs/dbraw/zinc/46/67/50/1394466750.db2.gz BHTMNPGRUGIGHK-SJLPKXTDSA-N 1 2 345.462 3.460 10 30 EGEELO C[C@@H](CNC(=O)[C@@H]1CC12CCCC2)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001485370342 1395849187 /nfs/dbraw/zinc/84/91/87/1395849187.db2.gz PROFFOWWQMWDKT-KSSFIOAISA-N 1 2 343.446 3.214 10 30 EGEELO C[C@@H](CNC(=O)[C@@H]1CC12CCCC2)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001485370342 1395849192 /nfs/dbraw/zinc/84/91/92/1395849192.db2.gz PROFFOWWQMWDKT-KSSFIOAISA-N 1 2 343.446 3.214 10 30 EGEELO C[C@@H]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001698996261 1406793562 /nfs/dbraw/zinc/79/35/62/1406793562.db2.gz XGQYFDAHBZWVDZ-CRAIPNDOSA-N 1 2 345.462 3.414 10 30 EGEELO C[C@@H]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001698996261 1406793566 /nfs/dbraw/zinc/79/35/66/1406793566.db2.gz XGQYFDAHBZWVDZ-CRAIPNDOSA-N 1 2 345.462 3.414 10 30 EGEELO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(F)c(Cl)cc1F ZINC001698996247 1406793951 /nfs/dbraw/zinc/79/39/51/1406793951.db2.gz WYIVGGKZUOYLNU-UHFFFAOYSA-N 1 2 337.197 3.375 10 30 EGEELO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(F)c(Cl)cc1F ZINC001698996247 1406793953 /nfs/dbraw/zinc/79/39/53/1406793953.db2.gz WYIVGGKZUOYLNU-UHFFFAOYSA-N 1 2 337.197 3.375 10 30 EGEELO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)C(C)(C)C1 ZINC001485562443 1396021036 /nfs/dbraw/zinc/02/10/36/1396021036.db2.gz ZMMADTSGXPFCQQ-OIOXUXFSSA-N 1 2 341.293 3.078 10 30 EGEELO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)C(C)(C)C1 ZINC001485562443 1396021040 /nfs/dbraw/zinc/02/10/40/1396021040.db2.gz ZMMADTSGXPFCQQ-OIOXUXFSSA-N 1 2 341.293 3.078 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001485575443 1396044617 /nfs/dbraw/zinc/04/46/17/1396044617.db2.gz MPCUHANFFJJDHH-APWZRJJASA-N 1 2 333.476 3.220 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001485575443 1396044621 /nfs/dbraw/zinc/04/46/21/1396044621.db2.gz MPCUHANFFJJDHH-APWZRJJASA-N 1 2 333.476 3.220 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncc(C)o2)CC1(C)C ZINC001485578197 1396049907 /nfs/dbraw/zinc/04/99/07/1396049907.db2.gz SOKYADVBLKSZDS-HUUCEWRRSA-N 1 2 333.476 3.473 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncc(C)o2)CC1(C)C ZINC001485578197 1396049912 /nfs/dbraw/zinc/04/99/12/1396049912.db2.gz SOKYADVBLKSZDS-HUUCEWRRSA-N 1 2 333.476 3.473 10 30 EGEELO C=CCC(C)(C)C(=O)NCC1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC001485616290 1396074423 /nfs/dbraw/zinc/07/44/23/1396074423.db2.gz OWTPMKUTOXIDEX-PIWXCAQISA-N 1 2 331.287 3.202 10 30 EGEELO C=CCC(C)(C)C(=O)NCC1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC001485616290 1396074430 /nfs/dbraw/zinc/07/44/30/1396074430.db2.gz OWTPMKUTOXIDEX-PIWXCAQISA-N 1 2 331.287 3.202 10 30 EGEELO C=CCCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1nnc(C(C)C)o1)CC2 ZINC001486146528 1396179893 /nfs/dbraw/zinc/17/98/93/1396179893.db2.gz HDVWQNYTCVQEKX-HNAYVOBHSA-N 1 2 346.475 3.163 10 30 EGEELO C=CCCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1nnc(C(C)C)o1)CC2 ZINC001486146528 1396179895 /nfs/dbraw/zinc/17/98/95/1396179895.db2.gz HDVWQNYTCVQEKX-HNAYVOBHSA-N 1 2 346.475 3.163 10 30 EGEELO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)[C@@H](C)C1 ZINC001502909980 1396233004 /nfs/dbraw/zinc/23/30/04/1396233004.db2.gz IMXONASRQXPVKJ-DLBZAZTESA-N 1 2 345.487 3.461 10 30 EGEELO C#CCCCCC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C(C)C)o2)[C@@H](C)C1 ZINC001502909980 1396233007 /nfs/dbraw/zinc/23/30/07/1396233007.db2.gz IMXONASRQXPVKJ-DLBZAZTESA-N 1 2 345.487 3.461 10 30 EGEELO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC001494316819 1396428771 /nfs/dbraw/zinc/42/87/71/1396428771.db2.gz ORZSTUIOMRVIBO-GJZGRUSLSA-N 1 2 334.410 3.266 10 30 EGEELO CC(C)C#CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC001494316819 1396428772 /nfs/dbraw/zinc/42/87/72/1396428772.db2.gz ORZSTUIOMRVIBO-GJZGRUSLSA-N 1 2 334.410 3.266 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)cn2)[C@@H]1CC ZINC001689175748 1396960173 /nfs/dbraw/zinc/96/01/73/1396960173.db2.gz SNUKDQBAKFZUAW-ZWKOTPCHSA-N 1 2 342.487 3.023 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)cn2)[C@@H]1CC ZINC001689175748 1396960176 /nfs/dbraw/zinc/96/01/76/1396960176.db2.gz SNUKDQBAKFZUAW-ZWKOTPCHSA-N 1 2 342.487 3.023 10 30 EGEELO C=CCC(C)(C)C(=O)N1CCCCC[C@H]([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001689270617 1397003390 /nfs/dbraw/zinc/00/33/90/1397003390.db2.gz SBQQABFKFDJRQZ-HOCLYGCPSA-N 1 2 348.491 3.402 10 30 EGEELO C=C(Br)C[N@H+](C)CCCNC(=O)C[C@H]1C=CCCC1 ZINC001689810413 1404150487 /nfs/dbraw/zinc/15/04/87/1404150487.db2.gz ZZQDZORDBNJMJH-AWEZNQCLSA-N 1 2 329.282 3.080 10 30 EGEELO C=C(Br)C[N@@H+](C)CCCNC(=O)C[C@H]1C=CCCC1 ZINC001689810413 1404150492 /nfs/dbraw/zinc/15/04/92/1404150492.db2.gz ZZQDZORDBNJMJH-AWEZNQCLSA-N 1 2 329.282 3.080 10 30 EGEELO C#CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001689898309 1404193004 /nfs/dbraw/zinc/19/30/04/1404193004.db2.gz AIMWNEWVZUJHMQ-CHWSQXEVSA-N 1 2 336.373 3.050 10 30 EGEELO C=CCC(CC=C)C(=O)N(C)C1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001690023216 1404261841 /nfs/dbraw/zinc/26/18/41/1404261841.db2.gz IUDNWMSYXOYBBV-MRXNPFEDSA-N 1 2 342.487 3.229 10 30 EGEELO C#CCCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)cs2)C1 ZINC001690044432 1404278479 /nfs/dbraw/zinc/27/84/79/1404278479.db2.gz PBRDHUPLHHUYEZ-MRXNPFEDSA-N 1 2 333.501 3.116 10 30 EGEELO C#CCCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)cs2)C1 ZINC001690044432 1404278480 /nfs/dbraw/zinc/27/84/80/1404278480.db2.gz PBRDHUPLHHUYEZ-MRXNPFEDSA-N 1 2 333.501 3.116 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC001690388412 1404524533 /nfs/dbraw/zinc/52/45/33/1404524533.db2.gz JHUPXXXEXMXISS-HNAYVOBHSA-N 1 2 348.491 3.124 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC001690388412 1404524537 /nfs/dbraw/zinc/52/45/37/1404524537.db2.gz JHUPXXXEXMXISS-HNAYVOBHSA-N 1 2 348.491 3.124 10 30 EGEELO C=CCC1(C(=O)N2CCC[C@@H]([N@@H+](C)[C@H](C)c3nc(C)no3)C2)CCC1 ZINC001690818445 1404753088 /nfs/dbraw/zinc/75/30/88/1404753088.db2.gz HHDWGOHGGFKVBT-GDBMZVCRSA-N 1 2 346.475 3.108 10 30 EGEELO C=CCC1(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](C)c3nc(C)no3)C2)CCC1 ZINC001690818445 1404753089 /nfs/dbraw/zinc/75/30/89/1404753089.db2.gz HHDWGOHGGFKVBT-GDBMZVCRSA-N 1 2 346.475 3.108 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(CC)n1 ZINC001691097724 1405035082 /nfs/dbraw/zinc/03/50/82/1405035082.db2.gz REORGNMJXYCWTN-MAUKXSAKSA-N 1 2 335.517 3.388 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(CC)n1 ZINC001691097724 1405035087 /nfs/dbraw/zinc/03/50/87/1405035087.db2.gz REORGNMJXYCWTN-MAUKXSAKSA-N 1 2 335.517 3.388 10 30 EGEELO C=C1CCC(C(=O)NCC[N@@H+](CCC)[C@H](C)c2nc(CC)no2)CC1 ZINC001691191132 1405131272 /nfs/dbraw/zinc/13/12/72/1405131272.db2.gz RNGWFRSUVGNDOB-OAHLLOKOSA-N 1 2 348.491 3.268 10 30 EGEELO C=C1CCC(C(=O)NCC[N@H+](CCC)[C@H](C)c2nc(CC)no2)CC1 ZINC001691191132 1405131273 /nfs/dbraw/zinc/13/12/73/1405131273.db2.gz RNGWFRSUVGNDOB-OAHLLOKOSA-N 1 2 348.491 3.268 10 30 EGEELO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(OC)c(F)c1 ZINC001691402759 1405240100 /nfs/dbraw/zinc/24/01/00/1405240100.db2.gz RKWZKRCRDHHKLA-MRXNPFEDSA-N 1 2 348.462 3.469 10 30 EGEELO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(OC)c(F)c1 ZINC001691402759 1405240103 /nfs/dbraw/zinc/24/01/03/1405240103.db2.gz RKWZKRCRDHHKLA-MRXNPFEDSA-N 1 2 348.462 3.469 10 30 EGEELO C[C@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C1CC1 ZINC001691416635 1405255786 /nfs/dbraw/zinc/25/57/86/1405255786.db2.gz NNPPAYLMPXEQKF-KDOFPFPSSA-N 1 2 343.446 3.166 10 30 EGEELO C[C@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C1CC1 ZINC001691416635 1405255792 /nfs/dbraw/zinc/25/57/92/1405255792.db2.gz NNPPAYLMPXEQKF-KDOFPFPSSA-N 1 2 343.446 3.166 10 30 EGEELO CC#CCCCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC001691789729 1405498449 /nfs/dbraw/zinc/49/84/49/1405498449.db2.gz AGIFVFADASRKSQ-KRWDZBQOSA-N 1 2 347.528 3.458 10 30 EGEELO CC#CCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC001691789729 1405498451 /nfs/dbraw/zinc/49/84/51/1405498451.db2.gz AGIFVFADASRKSQ-KRWDZBQOSA-N 1 2 347.528 3.458 10 30 EGEELO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](Cc2nncs2)CC(C)(C)C1 ZINC001691814191 1405528344 /nfs/dbraw/zinc/52/83/44/1405528344.db2.gz STSSGVWFJJCVJQ-CQSZACIVSA-N 1 2 336.505 3.001 10 30 EGEELO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2nncs2)CC(C)(C)C1 ZINC001691814191 1405528346 /nfs/dbraw/zinc/52/83/46/1405528346.db2.gz STSSGVWFJJCVJQ-CQSZACIVSA-N 1 2 336.505 3.001 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001691857325 1405575519 /nfs/dbraw/zinc/57/55/19/1405575519.db2.gz SOYRUPBHSJILOF-JKSUJKDBSA-N 1 2 342.911 3.257 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001691857325 1405575520 /nfs/dbraw/zinc/57/55/20/1405575520.db2.gz SOYRUPBHSJILOF-JKSUJKDBSA-N 1 2 342.911 3.257 10 30 EGEELO C=CCCC(=O)NC1C[NH+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC001692177766 1405823621 /nfs/dbraw/zinc/82/36/21/1405823621.db2.gz FJRSZPJMKRAKKR-UHFFFAOYSA-N 1 2 330.472 3.130 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cncc(F)c3)[C@@H]2C)CCCC1 ZINC001692244273 1405867636 /nfs/dbraw/zinc/86/76/36/1405867636.db2.gz YYUGAJDENWNVML-QAPCUYQASA-N 1 2 345.462 3.436 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cncc(F)c3)[C@@H]2C)CCCC1 ZINC001692244273 1405867641 /nfs/dbraw/zinc/86/76/41/1405867641.db2.gz YYUGAJDENWNVML-QAPCUYQASA-N 1 2 345.462 3.436 10 30 EGEELO C#CCCCC(=O)NCC1C[NH+]([C@H](C)c2cccc(Cl)c2F)C1 ZINC001692296927 1405925191 /nfs/dbraw/zinc/92/51/91/1405925191.db2.gz BWQINRYZAQCUDB-CYBMUJFWSA-N 1 2 336.838 3.392 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCC2CCCC2)[C@H]1C ZINC001692338635 1405959159 /nfs/dbraw/zinc/95/91/59/1405959159.db2.gz OCKZWXKQZSNXDI-HIFRSBDPSA-N 1 2 343.309 3.444 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCC2CCCC2)[C@H]1C ZINC001692338635 1405959162 /nfs/dbraw/zinc/95/91/62/1405959162.db2.gz OCKZWXKQZSNXDI-HIFRSBDPSA-N 1 2 343.309 3.444 10 30 EGEELO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccn(CC)n3)C2)CCCC1 ZINC001698576306 1406184571 /nfs/dbraw/zinc/18/45/71/1406184571.db2.gz NSJVHKSRUPEBTA-SFHVURJKSA-N 1 2 344.503 3.072 10 30 EGEELO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccn(CC)n3)C2)CCCC1 ZINC001698576306 1406184572 /nfs/dbraw/zinc/18/45/72/1406184572.db2.gz NSJVHKSRUPEBTA-SFHVURJKSA-N 1 2 344.503 3.072 10 30 EGEELO C#CC[NH2+][C@H](CNC(=O)C(F)C(F)(F)F)c1ccc(C(C)C)cc1 ZINC001732018389 1428235115 /nfs/dbraw/zinc/23/51/15/1428235115.db2.gz VSNBDAHPHPQHBL-HUUCEWRRSA-N 1 2 344.352 3.091 10 30 EGEELO C#CC[NH2+][C@H](CNC(=O)[C@@H](F)C(F)(F)F)c1ccc(C(C)C)cc1 ZINC001732018389 1428235119 /nfs/dbraw/zinc/23/51/19/1428235119.db2.gz VSNBDAHPHPQHBL-HUUCEWRRSA-N 1 2 344.352 3.091 10 30 EGEELO C#CCCCC(=O)NC[C@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC001732020516 1428237762 /nfs/dbraw/zinc/23/77/62/1428237762.db2.gz VBJKOWYZMYFEKG-NRFANRHFSA-N 1 2 345.446 3.309 10 30 EGEELO CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1cccc(Cl)c1 ZINC001732142531 1428387190 /nfs/dbraw/zinc/38/71/90/1428387190.db2.gz FXPQAQARPURIST-JLSDUUJJSA-N 1 2 330.859 3.346 10 30 EGEELO CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1cccc(Cl)c1 ZINC001732142531 1428387191 /nfs/dbraw/zinc/38/71/91/1428387191.db2.gz FXPQAQARPURIST-JLSDUUJJSA-N 1 2 330.859 3.346 10 30 EGEELO CCCCCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1nccnc1C ZINC001732149516 1428392769 /nfs/dbraw/zinc/39/27/69/1428392769.db2.gz GRSWSWVKKBQSEE-ROUUACIJSA-N 1 2 344.503 3.321 10 30 EGEELO CCCCCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1nccnc1C ZINC001732149516 1428392772 /nfs/dbraw/zinc/39/27/72/1428392772.db2.gz GRSWSWVKKBQSEE-ROUUACIJSA-N 1 2 344.503 3.321 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001732174039 1428418950 /nfs/dbraw/zinc/41/89/50/1428418950.db2.gz TYCMKQCUIHQTCP-QRWLVFNGSA-N 1 2 345.487 3.188 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001732174039 1428418952 /nfs/dbraw/zinc/41/89/52/1428418952.db2.gz TYCMKQCUIHQTCP-QRWLVFNGSA-N 1 2 345.487 3.188 10 30 EGEELO CCN(C(=O)[C@H](C)C#N)[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001732178667 1428424952 /nfs/dbraw/zinc/42/49/52/1428424952.db2.gz AWEZGWDJFZKKQD-TZMCWYRMSA-N 1 2 337.826 3.062 10 30 EGEELO CCN(C(=O)[C@H](C)C#N)[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001732178667 1428424954 /nfs/dbraw/zinc/42/49/54/1428424954.db2.gz AWEZGWDJFZKKQD-TZMCWYRMSA-N 1 2 337.826 3.062 10 30 EGEELO C=C(C)CCC(=O)NC1(C[NH2+]Cc2noc(C(C)(C)C)n2)CCCC1 ZINC001732229141 1428476619 /nfs/dbraw/zinc/47/66/19/1428476619.db2.gz IKHIYTYRXCKAIA-UHFFFAOYSA-N 1 2 348.491 3.242 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@@H](CC)c2ccc(F)cc2)CCO1 ZINC001732380706 1428555619 /nfs/dbraw/zinc/55/56/19/1428555619.db2.gz FEDWUSSFJDTTPW-MSOLQXFVSA-N 1 2 348.462 3.306 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@@H](CC)c2ccc(F)cc2)CCO1 ZINC001732380706 1428555620 /nfs/dbraw/zinc/55/56/20/1428555620.db2.gz FEDWUSSFJDTTPW-MSOLQXFVSA-N 1 2 348.462 3.306 10 30 EGEELO C=C1CCC(C(=O)N[C@H](C)C[N@H+](C)Cc2nc3c(o2)CCCC3)CC1 ZINC001699459376 1412810311 /nfs/dbraw/zinc/81/03/11/1412810311.db2.gz KPLTXXDQZHWYSW-OAHLLOKOSA-N 1 2 345.487 3.236 10 30 EGEELO C=C1CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc2nc3c(o2)CCCC3)CC1 ZINC001699459376 1412810316 /nfs/dbraw/zinc/81/03/16/1412810316.db2.gz KPLTXXDQZHWYSW-OAHLLOKOSA-N 1 2 345.487 3.236 10 30 EGEELO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1oc(CCC)nc1C ZINC001699622876 1412988213 /nfs/dbraw/zinc/98/82/13/1412988213.db2.gz WMJQKSUPBJIUPD-HNNXBMFYSA-N 1 2 333.476 3.228 10 30 EGEELO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1oc(CCC)nc1C ZINC001699622876 1412988217 /nfs/dbraw/zinc/98/82/17/1412988217.db2.gz WMJQKSUPBJIUPD-HNNXBMFYSA-N 1 2 333.476 3.228 10 30 EGEELO CC[C@@H]1CCCC[C@H]1C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001699689957 1413094001 /nfs/dbraw/zinc/09/40/01/1413094001.db2.gz XZQUNMXHUTXMHZ-IEBWSBKVSA-N 1 2 331.504 3.429 10 30 EGEELO CC[C@@H]1CCCC[C@H]1C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001699689957 1413094004 /nfs/dbraw/zinc/09/40/04/1413094004.db2.gz XZQUNMXHUTXMHZ-IEBWSBKVSA-N 1 2 331.504 3.429 10 30 EGEELO C#CCN(C(=O)CC(C)C)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001699777991 1413187330 /nfs/dbraw/zinc/18/73/30/1413187330.db2.gz DVUSCOULSBDNPK-KAMYIIQDSA-N 1 2 331.287 3.278 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CC2=CCCCC2)C1 ZINC001699812777 1413229053 /nfs/dbraw/zinc/22/90/53/1413229053.db2.gz USSUYRREJQGGHO-INIZCTEOSA-N 1 2 341.293 3.366 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CC2=CCCCC2)C1 ZINC001699812777 1413229055 /nfs/dbraw/zinc/22/90/55/1413229055.db2.gz USSUYRREJQGGHO-INIZCTEOSA-N 1 2 341.293 3.366 10 30 EGEELO C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C(F)C(F)(F)F)cc1 ZINC001700094050 1413508524 /nfs/dbraw/zinc/50/85/24/1413508524.db2.gz FQQHUTSVFJFKAL-FZMZJTMJSA-N 1 2 332.341 3.430 10 30 EGEELO C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](F)C(F)(F)F)cc1 ZINC001700094050 1413508527 /nfs/dbraw/zinc/50/85/27/1413508527.db2.gz FQQHUTSVFJFKAL-FZMZJTMJSA-N 1 2 332.341 3.430 10 30 EGEELO C#CCCCC(=O)NC[C@@H](C)[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC001700456231 1414046472 /nfs/dbraw/zinc/04/64/72/1414046472.db2.gz IIOUDPIXAXVKQG-MRXNPFEDSA-N 1 2 339.439 3.082 10 30 EGEELO C#CCCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC001700456231 1414046478 /nfs/dbraw/zinc/04/64/78/1414046478.db2.gz IIOUDPIXAXVKQG-MRXNPFEDSA-N 1 2 339.439 3.082 10 30 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Cc1cc(Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(C#N)c(C)[nH+]1 ZINC000301780354 267350239 /nfs/dbraw/zinc/35/02/39/267350239.db2.gz MVNDYNRBILLZAA-SFHVURJKSA-N 1 2 336.395 3.431 10 30 EGEELO Cc1cc2ccccc2[nH+]c1N1CCN(c2ncccc2C#N)CC1 ZINC000301572081 267367008 /nfs/dbraw/zinc/36/70/08/267367008.db2.gz OLSMXCLEZKVXGN-UHFFFAOYSA-N 1 2 329.407 3.137 10 30 EGEELO Cc1[nH+]c2ccccc2n1CCc1noc(Cc2ccc(C#N)cc2)n1 ZINC000445385332 268080466 /nfs/dbraw/zinc/08/04/66/268080466.db2.gz PQDCLGFNRNUHDS-UHFFFAOYSA-N 1 2 343.390 3.433 10 30 EGEELO N#Cc1cccnc1N1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000289242302 276309930 /nfs/dbraw/zinc/30/99/30/276309930.db2.gz ZQNIIDYNRCQXQT-NSCUHMNNSA-N 1 2 340.377 3.067 10 30 EGEELO COC(=O)c1cccc(C[NH2+][C@@H](C)c2c(F)cccc2OC)c1C#N ZINC000539357861 314308403 /nfs/dbraw/zinc/30/84/03/314308403.db2.gz OEEWDVSRWVISMU-LBPRGKRZSA-N 1 2 342.370 3.343 10 30 EGEELO COC(=O)c1cccc(C[NH2+]C2(c3nc(C)cs3)CCC2)c1C#N ZINC000555589342 315392748 /nfs/dbraw/zinc/39/27/48/315392748.db2.gz LAEFMXIGGDIRKO-UHFFFAOYSA-N 1 2 341.436 3.279 10 30 EGEELO N#Cc1ccc2[nH+]cc(CNc3cccc(OC[C@@H]4CCCO4)c3)n2c1 ZINC000172340194 323277324 /nfs/dbraw/zinc/27/73/24/323277324.db2.gz FHPHEIVFQWOFID-IBGZPJMESA-N 1 2 348.406 3.376 10 30 EGEELO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000580098440 325204245 /nfs/dbraw/zinc/20/42/45/325204245.db2.gz DCOORCDVCLZXCY-FOIQADDNSA-N 1 2 337.398 3.456 10 30 EGEELO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000580098440 325204248 /nfs/dbraw/zinc/20/42/48/325204248.db2.gz DCOORCDVCLZXCY-FOIQADDNSA-N 1 2 337.398 3.456 10 30 EGEELO Cc1nsc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1C#N ZINC000581615389 325376740 /nfs/dbraw/zinc/37/67/40/325376740.db2.gz FOYYYOUBKMNZOI-ZDUSSCGKSA-N 1 2 334.832 3.218 10 30 EGEELO C=CC[N@H+](CCC#N)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000428860524 458224274 /nfs/dbraw/zinc/22/42/74/458224274.db2.gz LTWNPHQJSQJFLX-GFCCVEGCSA-N 1 2 329.227 3.135 10 30 EGEELO N#Cc1ccccc1Cn1c2ccccc2[nH+]c1N1CCC[C@H](CO)C1 ZINC000095078567 454194870 /nfs/dbraw/zinc/19/48/70/454194870.db2.gz JNIBUQLBBWFNBJ-INIZCTEOSA-N 1 2 346.434 3.165 10 30 EGEELO N#Cc1ccc(Cn2c3ccccc3[nH+]c2N2CCCC[C@@H]2CO)cc1 ZINC000095078497 454194953 /nfs/dbraw/zinc/19/49/53/454194953.db2.gz MFEDIURAEKPAOY-GOSISDBHSA-N 1 2 346.434 3.307 10 30 EGEELO O=C(N/C(NCc1ccncc1)=[NH+]/c1ccc(F)cc1)c1ccccc1 ZINC000045940010 454198297 /nfs/dbraw/zinc/19/82/97/454198297.db2.gz JLNJBMBBSNEZBS-UHFFFAOYSA-N 1 2 348.381 3.428 10 30 EGEELO COc1ccc(C(N)=[NH+]OCc2nc(C(C)(C)C)cs2)cc1OC ZINC000120806820 454350146 /nfs/dbraw/zinc/35/01/46/454350146.db2.gz UPFPBFLPWBZDDW-UHFFFAOYSA-N 1 2 349.456 3.295 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)o1 ZINC000092452228 454568036 /nfs/dbraw/zinc/56/80/36/454568036.db2.gz OLRUTJQAEJVZGN-MRXNPFEDSA-N 1 2 347.212 3.487 10 30 EGEELO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)o1 ZINC000092452228 454568044 /nfs/dbraw/zinc/56/80/44/454568044.db2.gz OLRUTJQAEJVZGN-MRXNPFEDSA-N 1 2 347.212 3.487 10 30 EGEELO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)o1 ZINC000092453494 454568312 /nfs/dbraw/zinc/56/83/12/454568312.db2.gz DUMVPLPBXLIYMW-UHFFFAOYSA-N 1 2 343.814 3.153 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)o1 ZINC000092453494 454568318 /nfs/dbraw/zinc/56/83/18/454568318.db2.gz DUMVPLPBXLIYMW-UHFFFAOYSA-N 1 2 343.814 3.153 10 30 EGEELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000103975058 454571642 /nfs/dbraw/zinc/57/16/42/454571642.db2.gz QTGQYYDEJGMRDT-HNNXBMFYSA-N 1 2 337.398 3.216 10 30 EGEELO CC(C)c1nc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)cs1 ZINC000065504000 454579771 /nfs/dbraw/zinc/57/97/71/454579771.db2.gz BGBILICBFWBIPY-UHFFFAOYSA-N 1 2 341.484 3.245 10 30 EGEELO CC(C)c1nc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)cs1 ZINC000065504000 454579775 /nfs/dbraw/zinc/57/97/75/454579775.db2.gz BGBILICBFWBIPY-UHFFFAOYSA-N 1 2 341.484 3.245 10 30 EGEELO C=CC[N@@H+](Cc1cnc(N(C)C)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646310 454599845 /nfs/dbraw/zinc/59/98/45/454599845.db2.gz QWGYEDPFOLCIOR-UHFFFAOYSA-N 1 2 332.429 3.306 10 30 EGEELO C=CC[N@H+](Cc1cnc(N(C)C)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646310 454599851 /nfs/dbraw/zinc/59/98/51/454599851.db2.gz QWGYEDPFOLCIOR-UHFFFAOYSA-N 1 2 332.429 3.306 10 30 EGEELO C=CCC(CC=C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000123622247 454658434 /nfs/dbraw/zinc/65/84/34/454658434.db2.gz HPHWCGPPEQHUSU-HZPDHXFCSA-N 1 2 343.471 3.080 10 30 EGEELO Cc1ncc(C[NH+]2CCN(CC#Cc3ccc(Cl)cc3)CC2)s1 ZINC000177127676 454825854 /nfs/dbraw/zinc/82/58/54/454825854.db2.gz YRZYRBWVDQSOTM-UHFFFAOYSA-N 1 2 345.899 3.274 10 30 EGEELO Cc1nnc(-c2cccc(NCc3c[nH+]c4ccc(C#N)cn34)c2)o1 ZINC000151008713 454924606 /nfs/dbraw/zinc/92/46/06/454924606.db2.gz GDGHFJONPXJMNF-UHFFFAOYSA-N 1 2 330.351 3.177 10 30 EGEELO N#CC1(NC(=O)C[N@H+]2CC=C(c3cccs3)CC2)CCCCC1 ZINC000117893552 455094832 /nfs/dbraw/zinc/09/48/32/455094832.db2.gz LRNKNCZMSKSPIH-UHFFFAOYSA-N 1 2 329.469 3.180 10 30 EGEELO N#CC1(NC(=O)C[N@@H+]2CC=C(c3cccs3)CC2)CCCCC1 ZINC000117893552 455094838 /nfs/dbraw/zinc/09/48/38/455094838.db2.gz LRNKNCZMSKSPIH-UHFFFAOYSA-N 1 2 329.469 3.180 10 30 EGEELO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245718681 455364340 /nfs/dbraw/zinc/36/43/40/455364340.db2.gz VOCPWTNFPXEMGS-QZTJIDSGSA-N 1 2 341.361 3.012 10 30 EGEELO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245718681 455364344 /nfs/dbraw/zinc/36/43/44/455364344.db2.gz VOCPWTNFPXEMGS-QZTJIDSGSA-N 1 2 341.361 3.012 10 30 EGEELO C=CCN(Cc1ccccc1)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000175469656 455451666 /nfs/dbraw/zinc/45/16/66/455451666.db2.gz ULPLPXKXVCFVFC-UHFFFAOYSA-N 1 2 326.444 3.437 10 30 EGEELO C=C[C@@H](CC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186438057 455769326 /nfs/dbraw/zinc/76/93/26/455769326.db2.gz UXLUMJCXABDNNH-SFHVURJKSA-N 1 2 335.451 3.480 10 30 EGEELO C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000279789084 455873386 /nfs/dbraw/zinc/87/33/86/455873386.db2.gz FZRPGYSHHGSNDI-YJBOKZPZSA-N 1 2 336.439 3.408 10 30 EGEELO CCn1cc[nH+]c1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000296520922 455962488 /nfs/dbraw/zinc/96/24/88/455962488.db2.gz CYMQSPQYRKALNB-ZDUSSCGKSA-N 1 2 343.456 3.476 10 30 EGEELO CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272621908 456017584 /nfs/dbraw/zinc/01/75/84/456017584.db2.gz UWEHAIXZFUEXMJ-KRWDZBQOSA-N 1 2 343.471 3.278 10 30 EGEELO C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000617039598 460723077 /nfs/dbraw/zinc/72/30/77/460723077.db2.gz JMTIJTVKQFIYPP-AZUAARDMSA-N 1 2 342.483 3.384 10 30 EGEELO CC(=O)c1ccc(C#N)cc1N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000302106464 456289853 /nfs/dbraw/zinc/28/98/53/456289853.db2.gz NTSCYRRJNIAFDX-OAHLLOKOSA-N 1 2 334.423 3.039 10 30 EGEELO Cn1cc[nH+]c1[C@@H](NCc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000352825919 456342279 /nfs/dbraw/zinc/34/22/79/456342279.db2.gz UPKKRQRHYHDVLQ-HNNXBMFYSA-N 1 2 343.843 3.281 10 30 EGEELO COC(=O)[C@@H](CNc1cc(C)[nH+]c(C)c1C#N)c1ccc(F)cc1 ZINC000302826440 456411631 /nfs/dbraw/zinc/41/16/31/456411631.db2.gz HIEVYUJTICIIDI-INIZCTEOSA-N 1 2 327.359 3.078 10 30 EGEELO C=CCCc1ccccc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000337605570 456417703 /nfs/dbraw/zinc/41/77/03/456417703.db2.gz PRHFOYZONQWIGT-JKSUJKDBSA-N 1 2 331.460 3.036 10 30 EGEELO COc1cccc([C@H]2C[N@H+](Cc3ccc(C#N)c(OC)c3)CCO2)c1 ZINC000282315214 456475133 /nfs/dbraw/zinc/47/51/33/456475133.db2.gz NFKBGWJVJGVJAC-HXUWFJFHSA-N 1 2 338.407 3.149 10 30 EGEELO COc1cccc([C@H]2C[N@@H+](Cc3ccc(C#N)c(OC)c3)CCO2)c1 ZINC000282315214 456475138 /nfs/dbraw/zinc/47/51/38/456475138.db2.gz NFKBGWJVJGVJAC-HXUWFJFHSA-N 1 2 338.407 3.149 10 30 EGEELO C=C(C)[C@@H](CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)OCC ZINC000282489567 456530442 /nfs/dbraw/zinc/53/04/42/456530442.db2.gz YETDBZCCHNPPCO-SJLPKXTDSA-N 1 2 345.487 3.297 10 30 EGEELO Cc1cc(NC(=O)CN2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)on1 ZINC000328653074 456729328 /nfs/dbraw/zinc/72/93/28/456729328.db2.gz WSSPAHIIXVVDJB-HNNXBMFYSA-N 1 2 343.431 3.020 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CCOc3ccccc31)CCC2 ZINC000328658105 456731244 /nfs/dbraw/zinc/73/12/44/456731244.db2.gz QKTXVMBEKIBHHV-HOCLYGCPSA-N 1 2 340.427 3.096 10 30 EGEELO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc2c(c1)OCO2 ZINC000341321722 456846626 /nfs/dbraw/zinc/84/66/26/456846626.db2.gz MLLXIGLFOBWOCA-GFCCVEGCSA-N 1 2 348.362 3.188 10 30 EGEELO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000349236365 456919101 /nfs/dbraw/zinc/91/91/01/456919101.db2.gz GWKPIHDCRNKTCB-BEFAXECRSA-N 1 2 341.455 3.166 10 30 EGEELO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000349236365 456919105 /nfs/dbraw/zinc/91/91/05/456919105.db2.gz GWKPIHDCRNKTCB-BEFAXECRSA-N 1 2 341.455 3.166 10 30 EGEELO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000341829797 456962368 /nfs/dbraw/zinc/96/23/68/456962368.db2.gz DGKASMVVGODGPP-UHFFFAOYSA-N 1 2 345.464 3.287 10 30 EGEELO C=CCOc1ccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000341829797 456962370 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N#Cc1ccc(C2(C(=O)N3CC(Oc4cc[nH+]cc4)C3)CCCC2)cc1 ZINC000859148868 1328932559 /nfs/dbraw/zinc/93/25/59/1328932559.db2.gz MEROPHMLONLZHA-UHFFFAOYSA-N 1 2 347.418 3.055 10 30 EGEELO C#CCN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(C)C ZINC000921597660 1322360675 /nfs/dbraw/zinc/36/06/75/1322360675.db2.gz WYMPEGRRKUREGX-LJQANCHMSA-N 1 2 338.455 3.294 10 30 EGEELO C=CCCC[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccccc1 ZINC000921643510 1322369525 /nfs/dbraw/zinc/36/95/25/1322369525.db2.gz DRBBAORGEHCBBU-BEBFYNPSSA-N 1 2 328.456 3.089 10 30 EGEELO CC[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc(C#N)c1O ZINC000924897506 1323204864 /nfs/dbraw/zinc/20/48/64/1323204864.db2.gz XIPOIGGUROFLOS-HNNXBMFYSA-N 1 2 341.377 3.331 10 30 EGEELO CC[C@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1cccc(C#N)c1O ZINC000925025410 1323247969 /nfs/dbraw/zinc/24/79/69/1323247969.db2.gz CSMFOWHQTZUYLM-ZWKOTPCHSA-N 1 2 326.396 3.047 10 30 EGEELO COC(=O)[C@@H](Cc1cc2ccccc2o1)[NH2+]CC1CCC(C#N)CC1 ZINC000931755266 1329177761 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C=C1CC(C)(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000866095058 1330065168 /nfs/dbraw/zinc/06/51/68/1330065168.db2.gz XCYBTHZKIMLLGA-UHFFFAOYSA-N 1 2 327.472 3.194 10 30 EGEELO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cccc(C#N)c1O ZINC000866345450 1330099426 /nfs/dbraw/zinc/09/94/26/1330099426.db2.gz APBLFHDJKQRNFB-VIZZQPHQSA-N 1 2 340.398 3.220 10 30 EGEELO C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000866356168 1330101730 /nfs/dbraw/zinc/10/17/30/1330101730.db2.gz JNXHEHJGDUTOSM-SWLSCSKDSA-N 1 2 330.815 3.344 10 30 EGEELO C=C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1Cc1ocnc1C)c1ccccc1 ZINC001323356382 1387350274 /nfs/dbraw/zinc/35/02/74/1387350274.db2.gz JFNHAILSRGBFFW-WMZOPIPTSA-N 1 2 339.439 3.033 10 30 EGEELO C=C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ocnc1C)c1ccccc1 ZINC001323356382 1387350277 /nfs/dbraw/zinc/35/02/77/1387350277.db2.gz JFNHAILSRGBFFW-WMZOPIPTSA-N 1 2 339.439 3.033 10 30 EGEELO CCc1ccccc1CC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001323734223 1387436670 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/nfs/dbraw/zinc/48/76/08/1394487608.db2.gz AUXAFWGUTDCLSJ-HNNXBMFYSA-N 1 2 335.517 3.341 10 30 EGEELO C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cnn(C2CCCCC2)c1 ZINC001482397027 1394957665 /nfs/dbraw/zinc/95/76/65/1394957665.db2.gz RFFUFKMIWUHHCG-GOSISDBHSA-N 1 2 344.503 3.146 10 30 EGEELO C=C(C)CC[NH2+]CC(CC(C)C)NC(=O)c1ccc2c(c1)CCN2C ZINC001482396546 1394957780 /nfs/dbraw/zinc/95/77/80/1394957780.db2.gz MVOMHUGGDKEANI-LJQANCHMSA-N 1 2 343.515 3.379 10 30 EGEELO C=C[C@@H](CC(=O)N(C)C1C[NH+](CCOC2CCC2)C1)c1ccccc1 ZINC001483892745 1395131628 /nfs/dbraw/zinc/13/16/28/1395131628.db2.gz GFMCUENMAUWGRH-KRWDZBQOSA-N 1 2 342.483 3.058 10 30 EGEELO C[C@@H](C#N)C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001484036536 1395202267 /nfs/dbraw/zinc/20/22/67/1395202267.db2.gz GKTIRIBHLHABIK-MEDUHNTESA-N 1 2 340.254 3.234 10 30 EGEELO C[C@@H](C#N)C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001484036536 1395202271 /nfs/dbraw/zinc/20/22/71/1395202271.db2.gz GKTIRIBHLHABIK-MEDUHNTESA-N 1 2 340.254 3.234 10 30 EGEELO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2nnc(C(C)(C)C)o2)CC1 ZINC001484714928 1395474551 /nfs/dbraw/zinc/47/45/51/1395474551.db2.gz HCCMASJROYQSAD-HNNXBMFYSA-N 1 2 348.491 3.194 10 30 EGEELO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2nnc(C(C)(C)C)o2)CC1 ZINC001484714928 1395474553 /nfs/dbraw/zinc/47/45/53/1395474553.db2.gz HCCMASJROYQSAD-HNNXBMFYSA-N 1 2 348.491 3.194 10 30 EGEELO C#CCCCC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1C/C=C/Cl ZINC001484821524 1395555438 /nfs/dbraw/zinc/55/54/38/1395555438.db2.gz BOSDEHKKOANAMX-DBEXCURXSA-N 1 2 330.859 3.086 10 30 EGEELO C#CCCCC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1C/C=C/Cl ZINC001484821524 1395555441 /nfs/dbraw/zinc/55/54/41/1395555441.db2.gz BOSDEHKKOANAMX-DBEXCURXSA-N 1 2 330.859 3.086 10 30 EGEELO CC[C@@H](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001485501699 1395981898 /nfs/dbraw/zinc/98/18/98/1395981898.db2.gz AGVYJBIHTAHAHY-ZIAGYGMSSA-N 1 2 331.435 3.070 10 30 EGEELO C=C(Br)C[N@H+]1C[C@@H](NC(=O)/C=C(/C)C2CC2)C(C)(C)C1 ZINC001485562444 1396021007 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3.266 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(C2CCCC2)no1 ZINC001496149378 1396612621 /nfs/dbraw/zinc/61/26/21/1396612621.db2.gz DJBOYTDOQJQNLT-LIRRHRJNSA-N 1 2 348.491 3.266 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C1CC1 ZINC001688056487 1396669225 /nfs/dbraw/zinc/66/92/25/1396669225.db2.gz FZQYLGLEOJTPMH-CABCVRRESA-N 1 2 333.863 3.324 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C1CC1 ZINC001688056487 1396669230 /nfs/dbraw/zinc/66/92/30/1396669230.db2.gz FZQYLGLEOJTPMH-CABCVRRESA-N 1 2 333.863 3.324 10 30 EGEELO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2ncc(C(C)C)o2)[C@@H]1CC ZINC001689172192 1396958074 /nfs/dbraw/zinc/95/80/74/1396958074.db2.gz BJIBRSVWZKZNLR-JKSUJKDBSA-N 1 2 331.460 3.071 10 30 EGEELO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)[C@@H]1CC ZINC001689172192 1396958077 /nfs/dbraw/zinc/95/80/77/1396958077.db2.gz BJIBRSVWZKZNLR-JKSUJKDBSA-N 1 2 331.460 3.071 10 30 EGEELO C[C@@H]1[C@@H](NC(=O)/C=C/C(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001689282294 1397011969 /nfs/dbraw/zinc/01/19/69/1397011969.db2.gz BBXPRWLJAFADTE-LNNOPRTKSA-N 1 2 343.446 3.379 10 30 EGEELO C[C@@H]1[C@@H](NC(=O)/C=C/C(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001689282294 1397011985 /nfs/dbraw/zinc/01/19/85/1397011985.db2.gz BBXPRWLJAFADTE-LNNOPRTKSA-N 1 2 343.446 3.379 10 30 EGEELO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001689508372 1403835181 /nfs/dbraw/zinc/83/51/81/1403835181.db2.gz LLVZDOSBWIZFDB-SFHVURJKSA-N 1 2 338.476 3.409 10 30 EGEELO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001689508372 1403835191 /nfs/dbraw/zinc/83/51/91/1403835191.db2.gz LLVZDOSBWIZFDB-SFHVURJKSA-N 1 2 338.476 3.409 10 30 EGEELO C=C1CCN(c2nnc([C@H](C)CC)n2Cc2c[nH+]ccc2OC)CC1 ZINC001690362699 1404496278 /nfs/dbraw/zinc/49/62/78/1404496278.db2.gz MOWYAMWULDEQPX-OAHLLOKOSA-N 1 2 341.459 3.400 10 30 EGEELO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](OCC)C(=C)C ZINC001690448825 1404573168 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CC(C)N(CC[N@H+](C)CCC(F)(F)F)C(=O)C(F)C(F)(F)F ZINC001725726891 1426390268 /nfs/dbraw/zinc/39/02/68/1426390268.db2.gz BQFIXLDQRUXYCJ-SECBINFHSA-N 1 2 340.283 3.008 10 30 EGEELO CC(C)N(CC[N@@H+](C)CCC(F)(F)F)C(=O)C(F)C(F)(F)F ZINC001725726891 1426390271 /nfs/dbraw/zinc/39/02/71/1426390271.db2.gz BQFIXLDQRUXYCJ-SECBINFHSA-N 1 2 340.283 3.008 10 30 EGEELO CC(C)C#CC(=O)NCC1=CC[N@H+](Cc2c(F)cccc2Cl)CC1 ZINC001725812838 1426489555 /nfs/dbraw/zinc/48/95/55/1426489555.db2.gz GWRAYWGSWWZOJJ-UHFFFAOYSA-N 1 2 348.849 3.387 10 30 EGEELO CC(C)C#CC(=O)NCC1=CC[N@@H+](Cc2c(F)cccc2Cl)CC1 ZINC001725812838 1426489558 /nfs/dbraw/zinc/48/95/58/1426489558.db2.gz GWRAYWGSWWZOJJ-UHFFFAOYSA-N 1 2 348.849 3.387 10 30 EGEELO C=C/C(C)=C/CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001691653897 1405387261 /nfs/dbraw/zinc/38/72/61/1405387261.db2.gz ZCZCCJIFKVPZJA-FMDURADSSA-N 1 2 340.442 3.232 10 30 EGEELO C=C/C(C)=C/CC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001691653897 1405387267 /nfs/dbraw/zinc/38/72/67/1405387267.db2.gz ZCZCCJIFKVPZJA-FMDURADSSA-N 1 2 340.442 3.232 10 30 EGEELO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)c2c(C)noc2C)C1 ZINC001692102153 1405771945 /nfs/dbraw/zinc/77/19/45/1405771945.db2.gz HDMDNRSXXQVEFB-HUUCEWRRSA-N 1 2 339.867 3.118 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)c2c(C)noc2C)C1 ZINC001692102153 1405771947 /nfs/dbraw/zinc/77/19/47/1405771947.db2.gz HDMDNRSXXQVEFB-HUUCEWRRSA-N 1 2 339.867 3.118 10 30 EGEELO C=C[C@@H](CC)CC(=O)N1CCCCC[C@H]([NH2+]Cc2noc(CC)n2)C1 ZINC001692325936 1405944481 /nfs/dbraw/zinc/94/44/81/1405944481.db2.gz KXZQQDIZQQVHSO-HOTGVXAUSA-N 1 2 348.491 3.095 10 30 EGEELO CC[C@H](CC(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1)C(C)C ZINC001692345891 1405965348 /nfs/dbraw/zinc/96/53/48/1405965348.db2.gz LIEBQNNODZPZLF-QGZVFWFLSA-N 1 2 345.462 3.318 10 30 EGEELO C=CC[NH2+][C@@H](CNC(=O)c1[nH]nc(C)c1C)c1ccc(C(C)C)cc1 ZINC001732017113 1428232328 /nfs/dbraw/zinc/23/23/28/1428232328.db2.gz BOJXOKHWCCARSX-SFHVURJKSA-N 1 2 340.471 3.397 10 30 EGEELO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001698568413 1406171977 /nfs/dbraw/zinc/17/19/77/1406171977.db2.gz GUDKGAZVGXORSG-GOSISDBHSA-N 1 2 344.503 3.243 10 30 EGEELO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC001698568413 1406171978 /nfs/dbraw/zinc/17/19/78/1406171978.db2.gz GUDKGAZVGXORSG-GOSISDBHSA-N 1 2 344.503 3.243 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)/C=C\C(C)(C)C)C1 ZINC001698576435 1406184670 /nfs/dbraw/zinc/18/46/70/1406184670.db2.gz OWWWHQHGEHMGCN-LEJCZOIISA-N 1 2 343.309 3.420 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)/C=C\C(C)(C)C)C1 ZINC001698576435 1406184674 /nfs/dbraw/zinc/18/46/74/1406184674.db2.gz OWWWHQHGEHMGCN-LEJCZOIISA-N 1 2 343.309 3.420 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)C=C(C)C)C1 ZINC001732033658 1428252137 /nfs/dbraw/zinc/25/21/37/1428252137.db2.gz LJGBNKYLFOWIRU-AWEZNQCLSA-N 1 2 329.282 3.174 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)C=C(C)C)C1 ZINC001732033658 1428252140 /nfs/dbraw/zinc/25/21/40/1428252140.db2.gz LJGBNKYLFOWIRU-AWEZNQCLSA-N 1 2 329.282 3.174 10 30 EGEELO C=C(C)CCC(=O)N(CCC)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001732039485 1428265739 /nfs/dbraw/zinc/26/57/39/1428265739.db2.gz PCSHCRYSICBUQW-QGZVFWFLSA-N 1 2 333.476 3.461 10 30 EGEELO C=C(C)CCC(=O)N(CCC)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001732039485 1428265741 /nfs/dbraw/zinc/26/57/41/1428265741.db2.gz PCSHCRYSICBUQW-QGZVFWFLSA-N 1 2 333.476 3.461 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001732040921 1428270210 /nfs/dbraw/zinc/27/02/10/1428270210.db2.gz MERLLQQTVJCHGO-OAHLLOKOSA-N 1 2 335.879 3.182 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001732040921 1428270212 /nfs/dbraw/zinc/27/02/12/1428270212.db2.gz MERLLQQTVJCHGO-OAHLLOKOSA-N 1 2 335.879 3.182 10 30 EGEELO C/C(=C\C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001732122235 1428372916 /nfs/dbraw/zinc/37/29/16/1428372916.db2.gz OEGBUVNQSRCQTR-RVDMUPIBSA-N 1 2 342.870 3.096 10 30 EGEELO CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1cccc(Cl)c1 ZINC001732142532 1428387272 /nfs/dbraw/zinc/38/72/72/1428387272.db2.gz FXPQAQARPURIST-WBAXXEDZSA-N 1 2 330.859 3.346 10 30 EGEELO CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1cccc(Cl)c1 ZINC001732142532 1428387274 /nfs/dbraw/zinc/38/72/74/1428387274.db2.gz FXPQAQARPURIST-WBAXXEDZSA-N 1 2 330.859 3.346 10 30 EGEELO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC1(C)C ZINC001699454129 1412797323 /nfs/dbraw/zinc/79/73/23/1412797323.db2.gz JDAZGKYMTHPKET-KBXCAEBGSA-N 1 2 345.462 3.460 10 30 EGEELO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC1(C)C ZINC001699454129 1412797328 /nfs/dbraw/zinc/79/73/28/1412797328.db2.gz JDAZGKYMTHPKET-KBXCAEBGSA-N 1 2 345.462 3.460 10 30 EGEELO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CCCC1(C)C ZINC001699454133 1412797645 /nfs/dbraw/zinc/79/76/45/1412797645.db2.gz JDAZGKYMTHPKET-KSSFIOAISA-N 1 2 345.462 3.460 10 30 EGEELO 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333.476 3.094 10 30 EGEELO C=CC(C)(C)C(=O)NCC[N@H+](CCC)Cc1nc2c(o1)CCCC2 ZINC001714656204 1419437849 /nfs/dbraw/zinc/43/78/49/1419437849.db2.gz ONVVZPHLLFSTGO-UHFFFAOYSA-N 1 2 333.476 3.094 10 30 EGEELO CC(C)(C)C#CC(=O)NC[C@H]([NH2+]Cc1nccs1)c1ccccc1 ZINC001714835104 1419546649 /nfs/dbraw/zinc/54/66/49/1419546649.db2.gz GQDLGGBWZDHBGF-INIZCTEOSA-N 1 2 341.480 3.140 10 30 EGEELO C#CCCCCC(=O)N(CCC)[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001714858872 1419578825 /nfs/dbraw/zinc/57/88/25/1419578825.db2.gz SNVSBKGJXRSMEE-SFHVURJKSA-N 1 2 345.487 3.298 10 30 EGEELO C#CCCCCC(=O)N(CCC)[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001714858872 1419578828 /nfs/dbraw/zinc/57/88/28/1419578828.db2.gz SNVSBKGJXRSMEE-SFHVURJKSA-N 1 2 345.487 3.298 10 30 EGEELO C#CCCCCC(=O)N(CCC)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001714861120 1419583171 /nfs/dbraw/zinc/58/31/71/1419583171.db2.gz ZAGAAVXMTUQTFV-INIZCTEOSA-N 1 2 333.501 3.150 10 30 EGEELO C#CCCCCC(=O)N(CCC)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001714861120 1419583176 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ZINC001717198777 1421165840 /nfs/dbraw/zinc/16/58/40/1421165840.db2.gz YFBATGVVSQIQMW-HNNXBMFYSA-N 1 2 348.491 3.095 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2nc(CCC)no2)CC1 ZINC001717198777 1421165841 /nfs/dbraw/zinc/16/58/41/1421165841.db2.gz YFBATGVVSQIQMW-HNNXBMFYSA-N 1 2 348.491 3.095 10 30 EGEELO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)CCCC1CCCC1)O2 ZINC001717226024 1421199747 /nfs/dbraw/zinc/19/97/47/1421199747.db2.gz UEWVHCIPQYVVRH-GOSISDBHSA-N 1 2 334.504 3.273 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccn1 ZINC001717243228 1421211702 /nfs/dbraw/zinc/21/17/02/1421211702.db2.gz AVPRWSVKQASIKB-HXUWFJFHSA-N 1 2 349.478 3.337 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccn1 ZINC001717243228 1421211704 /nfs/dbraw/zinc/21/17/04/1421211704.db2.gz AVPRWSVKQASIKB-HXUWFJFHSA-N 1 2 349.478 3.337 10 30 EGEELO CC(C)C#CC(=O)N1CCC[C@@]2(CC[N@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001717246358 1421216934 /nfs/dbraw/zinc/21/69/34/1421216934.db2.gz KXFJSKHXTBLCBB-MJSCBBHESA-N 1 2 343.298 3.279 10 30 EGEELO CC(C)C#CC(=O)N1CCC[C@@]2(CC[N@@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001717246358 1421216944 /nfs/dbraw/zinc/21/69/44/1421216944.db2.gz KXFJSKHXTBLCBB-MJSCBBHESA-N 1 2 343.298 3.279 10 30 EGEELO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)CCC ZINC001717362571 1421297245 /nfs/dbraw/zinc/29/72/45/1421297245.db2.gz SBKLXCCDFRSYCU-TZMCWYRMSA-N 1 2 331.298 3.254 10 30 EGEELO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)CCC ZINC001717362571 1421297246 /nfs/dbraw/zinc/29/72/46/1421297246.db2.gz SBKLXCCDFRSYCU-TZMCWYRMSA-N 1 2 331.298 3.254 10 30 EGEELO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001717485691 1421421974 /nfs/dbraw/zinc/42/19/74/1421421974.db2.gz QUKXAWRVPVYQHK-CABCVRRESA-N 1 2 331.435 3.236 10 30 EGEELO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001717485691 1421421977 /nfs/dbraw/zinc/42/19/77/1421421977.db2.gz QUKXAWRVPVYQHK-CABCVRRESA-N 1 2 331.435 3.236 10 30 EGEELO 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C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1OC ZINC000092831653 454642981 /nfs/dbraw/zinc/64/29/81/454642981.db2.gz NOEWNORMTBUQST-KRWDZBQOSA-N 1 2 346.452 3.290 10 30 EGEELO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1OC ZINC000092831653 454642984 /nfs/dbraw/zinc/64/29/84/454642984.db2.gz NOEWNORMTBUQST-KRWDZBQOSA-N 1 2 346.452 3.290 10 30 EGEELO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000093611836 454723981 /nfs/dbraw/zinc/72/39/81/454723981.db2.gz SCVDAOFEPWQOFL-LLVKDONJSA-N 1 2 331.231 3.344 10 30 EGEELO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000093611836 454723984 /nfs/dbraw/zinc/72/39/84/454723984.db2.gz SCVDAOFEPWQOFL-LLVKDONJSA-N 1 2 331.231 3.344 10 30 EGEELO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)n2c1 ZINC000093872262 454743285 /nfs/dbraw/zinc/74/32/85/454743285.db2.gz XWCLSDZDFZPEJX-VQTJNVASSA-N 1 2 341.418 3.478 10 30 EGEELO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)n2c1 ZINC000093872262 454743290 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ZINC000288075831 456086483 /nfs/dbraw/zinc/08/64/83/456086483.db2.gz GSTXZUGJDDZMCV-ZWKOTPCHSA-N 1 2 336.439 3.281 10 30 EGEELO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000225521334 456090771 /nfs/dbraw/zinc/09/07/71/456090771.db2.gz ULRPXODJRUSOOH-CRAIPNDOSA-N 1 2 344.361 3.153 10 30 EGEELO COc1ccc(C#N)cc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000225521334 456090776 /nfs/dbraw/zinc/09/07/76/456090776.db2.gz ULRPXODJRUSOOH-CRAIPNDOSA-N 1 2 344.361 3.153 10 30 EGEELO CC(=O)c1ccc(C#N)cc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000302069066 456279801 /nfs/dbraw/zinc/27/98/01/456279801.db2.gz XIHHZLGMDBJJOV-NRFANRHFSA-N 1 2 349.434 3.246 10 30 EGEELO N#Cc1cc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)nc2ccc([N+](=O)[O-])cc12 ZINC000302630201 456367261 /nfs/dbraw/zinc/36/72/61/456367261.db2.gz GKCLZZZDMRAUFD-MRXNPFEDSA-N 1 2 348.366 3.469 10 30 EGEELO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc(OC)nc1C ZINC000352920872 456413058 /nfs/dbraw/zinc/41/30/58/456413058.db2.gz CGNROVBNTILLBU-UHFFFAOYSA-N 1 2 329.448 3.149 10 30 EGEELO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc(OC)nc1C ZINC000352920872 456413062 /nfs/dbraw/zinc/41/30/62/456413062.db2.gz CGNROVBNTILLBU-UHFFFAOYSA-N 1 2 329.448 3.149 10 30 EGEELO CCc1ccc(C[NH+]2CCN(C(=O)c3cscc3C#N)CC2)s1 ZINC000340570624 456537215 /nfs/dbraw/zinc/53/72/15/456537215.db2.gz KPIYAQJDFUICLN-UHFFFAOYSA-N 1 2 345.493 3.202 10 30 EGEELO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)nc1C ZINC000348489888 456712746 /nfs/dbraw/zinc/71/27/46/456712746.db2.gz HKEAYMVFGLWHLX-LLVKDONJSA-N 1 2 347.415 3.490 10 30 EGEELO CCOC(=O)c1sc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)nc1C ZINC000348500098 456718100 /nfs/dbraw/zinc/71/81/00/456718100.db2.gz WVOXEGIJZVDFHJ-CYBMUJFWSA-N 1 2 346.427 3.470 10 30 EGEELO CC#CC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000344484324 456831983 /nfs/dbraw/zinc/83/19/83/456831983.db2.gz XAHDGNKCVBUXLR-GOSISDBHSA-N 1 2 349.402 3.071 10 30 EGEELO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000329583594 456912815 /nfs/dbraw/zinc/91/28/15/456912815.db2.gz XPDBNVBDMLOHGA-JQHSSLGASA-N 1 2 329.444 3.344 10 30 EGEELO Cc1[nH+]ccn1CCCNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000330398311 457039402 /nfs/dbraw/zinc/03/94/02/457039402.db2.gz PYSPIORRLWJUMZ-ZDUSSCGKSA-N 1 2 346.397 3.406 10 30 EGEELO C=CCN(CC(F)(F)F)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000346527341 457048252 /nfs/dbraw/zinc/04/82/52/457048252.db2.gz NUFPDLCXSLOHNN-CYBMUJFWSA-N 1 2 326.362 3.010 10 30 EGEELO C=CCN(CC(F)(F)F)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000346527341 457048255 /nfs/dbraw/zinc/04/82/55/457048255.db2.gz NUFPDLCXSLOHNN-CYBMUJFWSA-N 1 2 326.362 3.010 10 30 EGEELO CC(C)[C@@H]1CCCCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330853985 457095873 /nfs/dbraw/zinc/09/58/73/457095873.db2.gz RQQJYFXLDZTYOG-LBPRGKRZSA-N 1 2 332.370 3.370 10 30 EGEELO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000331075506 457128221 /nfs/dbraw/zinc/12/82/21/457128221.db2.gz HNYVPMCOLHTVKA-NEPJUHHUSA-N 1 2 332.370 3.096 10 30 EGEELO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cc(Cl)ccc1F ZINC000331306010 457162958 /nfs/dbraw/zinc/16/29/58/457162958.db2.gz VDCDEYWMNDQCKV-UHFFFAOYSA-N 1 2 337.826 3.254 10 30 EGEELO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cc(Cl)ccc1F ZINC000331306010 457162965 /nfs/dbraw/zinc/16/29/65/457162965.db2.gz VDCDEYWMNDQCKV-UHFFFAOYSA-N 1 2 337.826 3.254 10 30 EGEELO CC(C)(CCC#N)CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000350193811 457170443 /nfs/dbraw/zinc/17/04/43/457170443.db2.gz SBHHVVOPYOJLAQ-UHFFFAOYSA-N 1 2 333.823 3.117 10 30 EGEELO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)C#N)c(C)c1 ZINC000354529400 457271762 /nfs/dbraw/zinc/27/17/62/457271762.db2.gz FNDFVTQSXHXWOD-QGZVFWFLSA-N 1 2 339.443 3.090 10 30 EGEELO CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000357113483 457329984 /nfs/dbraw/zinc/32/99/84/457329984.db2.gz ATJLIIWYXKSAPN-HNNXBMFYSA-N 1 2 345.406 3.362 10 30 EGEELO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C)(C#N)CC1 ZINC000408159085 457561581 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C=C1CCN(c2nnc(CC)n2C[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC001722567662 1424215038 /nfs/dbraw/zinc/21/50/38/1424215038.db2.gz GYGZELSIBNZOSD-MRXNPFEDSA-N 1 2 340.475 3.079 10 30 EGEELO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)Oc1ccccc1F ZINC001722906424 1424236719 /nfs/dbraw/zinc/23/67/19/1424236719.db2.gz XLBCZKCXJBDFOK-UKRRQHHQSA-N 1 2 342.842 3.172 10 30 EGEELO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)Oc1ccccc1F ZINC001722906424 1424236722 /nfs/dbraw/zinc/23/67/22/1424236722.db2.gz XLBCZKCXJBDFOK-UKRRQHHQSA-N 1 2 342.842 3.172 10 30 EGEELO C=C/C(C)=C\CC(=O)NC[C@@H]1C[N@H+](CC(=C)Cl)CCC1(F)F ZINC001733478291 1429713391 /nfs/dbraw/zinc/71/33/91/1429713391.db2.gz SQSOWEAIAGSTMH-WTKLMOFPSA-N 1 2 332.822 3.335 10 30 EGEELO C=C/C(C)=C\CC(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)CCC1(F)F ZINC001733478291 1429713393 /nfs/dbraw/zinc/71/33/93/1429713393.db2.gz SQSOWEAIAGSTMH-WTKLMOFPSA-N 1 2 332.822 3.335 10 30 EGEELO CCC[C@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001723406790 1424389671 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EGEELO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C(F)(F)F)cnn1C ZINC000668145300 461131478 /nfs/dbraw/zinc/13/14/78/461131478.db2.gz IAAKMKUMXBTKKN-UHFFFAOYSA-N 1 2 343.349 3.103 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000649675112 461266010 /nfs/dbraw/zinc/26/60/10/461266010.db2.gz NXGQBYBPZNDJCD-UHFFFAOYSA-N 1 2 346.496 3.140 10 30 EGEELO C=CCCn1cc(C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)nn1 ZINC000653489404 461670485 /nfs/dbraw/zinc/67/04/85/461670485.db2.gz CIQNEBRZXMAHCU-GOSISDBHSA-N 1 2 342.443 3.209 10 30 EGEELO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)nn1 ZINC000653489404 461670489 /nfs/dbraw/zinc/67/04/89/461670489.db2.gz CIQNEBRZXMAHCU-GOSISDBHSA-N 1 2 342.443 3.209 10 30 EGEELO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000660861508 461998819 /nfs/dbraw/zinc/99/88/19/461998819.db2.gz QIFRFRBLSKDWLA-JKIFEVAISA-N 1 2 349.425 3.460 10 30 EGEELO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2[nH]c(CCCC)[nH+]c2c1 ZINC000667370692 462059784 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N#Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(-n4cccn4)cc3)n2c1 ZINC000736433717 575960326 /nfs/dbraw/zinc/96/03/26/575960326.db2.gz JSUHKWJVFCTIMU-BQYQJAHWSA-N 1 2 339.358 3.288 10 30 EGEELO O=C(c1ccccc1)N1CCC(C/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000737442374 576230087 /nfs/dbraw/zinc/23/00/87/576230087.db2.gz CNGWZAPRVIVEME-KGENOOAVSA-N 1 2 338.407 3.069 10 30 EGEELO Cc1[nH+]cc(C=NNCC(F)F)n1-c1ccc(Br)cc1 ZINC000740616026 576607325 /nfs/dbraw/zinc/60/73/25/576607325.db2.gz CFYLVWWCWHUDPC-UHFFFAOYSA-N 1 2 343.175 3.132 10 30 EGEELO COC(=O)[C@H]([NH2+]CCc1c[nH]c2c1cccc2C)c1ccc(C#N)cc1 ZINC000743481973 576810147 /nfs/dbraw/zinc/81/01/47/576810147.db2.gz SYKZWGFDMKHWQS-HXUWFJFHSA-N 1 2 347.418 3.394 10 30 EGEELO C#CCOc1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000874445729 1297892590 /nfs/dbraw/zinc/89/25/90/1297892590.db2.gz ISYZYEVVBURFDJ-CQSZACIVSA-N 1 2 337.301 3.027 10 30 EGEELO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000878285199 1299890357 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1 2 341.293 3.174 10 30 EGEELO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC001328704540 1388816724 /nfs/dbraw/zinc/81/67/24/1388816724.db2.gz PSVWQLJWPDFSKS-LSDHHAIUSA-N 1 2 341.293 3.174 10 30 EGEELO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001297776687 1383241171 /nfs/dbraw/zinc/24/11/71/1383241171.db2.gz JKIBYQCBDDCZJB-UKRRQHHQSA-N 1 2 345.487 3.091 10 30 EGEELO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC001307989880 1384069454 /nfs/dbraw/zinc/06/94/54/1384069454.db2.gz SWLIIWPFPDTKTB-CTNGQTDRSA-N 1 2 335.451 3.289 10 30 EGEELO Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC001307989880 1384069458 /nfs/dbraw/zinc/06/94/58/1384069458.db2.gz SWLIIWPFPDTKTB-CTNGQTDRSA-N 1 2 335.451 3.289 10 30 EGEELO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@]23CCCOC3)c(C#N)c1C ZINC001308170757 1384105286 /nfs/dbraw/zinc/10/52/86/1384105286.db2.gz NBOGGFFFQYWQPW-SFHVURJKSA-N 1 2 347.484 3.210 10 30 EGEELO Cc1sc(NC(=O)C[N@H+]2CCCC[C@@]23CCCOC3)c(C#N)c1C ZINC001308170757 1384105288 /nfs/dbraw/zinc/10/52/88/1384105288.db2.gz NBOGGFFFQYWQPW-SFHVURJKSA-N 1 2 347.484 3.210 10 30 EGEELO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)[C@@H]1CC ZINC001316730845 1384549289 /nfs/dbraw/zinc/54/92/89/1384549289.db2.gz SBIUTXBAIONFKV-JKSUJKDBSA-N 1 2 345.487 3.245 10 30 EGEELO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)[C@@H]1CC ZINC001316730845 1384549290 /nfs/dbraw/zinc/54/92/90/1384549290.db2.gz SBIUTXBAIONFKV-JKSUJKDBSA-N 1 2 345.487 3.245 10 30 EGEELO C=C(C)CCC(=O)NCCC[N@@H+](C)[C@H](C)c1nc(C(C)(C)C)no1 ZINC001316825769 1384619750 /nfs/dbraw/zinc/61/97/50/1384619750.db2.gz PGFAGAZYEYXDSW-CQSZACIVSA-N 1 2 336.480 3.223 10 30 EGEELO C=C(C)CCC(=O)NCCC[N@H+](C)[C@H](C)c1nc(C(C)(C)C)no1 ZINC001316825769 1384619752 /nfs/dbraw/zinc/61/97/52/1384619752.db2.gz PGFAGAZYEYXDSW-CQSZACIVSA-N 1 2 336.480 3.223 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)sc2C)C1 ZINC001316948860 1384720836 /nfs/dbraw/zinc/72/08/36/1384720836.db2.gz YNPWSGLDQQQRFM-OAHLLOKOSA-N 1 2 335.517 3.443 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001316948860 1384720840 /nfs/dbraw/zinc/72/08/40/1384720840.db2.gz YNPWSGLDQQQRFM-OAHLLOKOSA-N 1 2 335.517 3.443 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001316981125 1384739259 /nfs/dbraw/zinc/73/92/59/1384739259.db2.gz RACSUEUQRLMTFZ-MRXNPFEDSA-N 1 2 334.410 3.424 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001316981125 1384739260 /nfs/dbraw/zinc/73/92/60/1384739260.db2.gz RACSUEUQRLMTFZ-MRXNPFEDSA-N 1 2 334.410 3.424 10 30 EGEELO C=C1CCC(C(=O)NCC[C@@H](C)[NH2+]Cc2noc(C(C)(C)C)n2)CC1 ZINC001317405350 1385118328 /nfs/dbraw/zinc/11/83/28/1385118328.db2.gz JCTXJMWAIZUSCV-CQSZACIVSA-N 1 2 348.491 3.098 10 30 EGEELO CC#CCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncoc1C(C)C ZINC001317504811 1385210559 /nfs/dbraw/zinc/21/05/59/1385210559.db2.gz GCFVNPKPYDMHDO-INIZCTEOSA-N 1 2 331.460 3.072 10 30 EGEELO CC#CCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ncoc1C(C)C ZINC001317504811 1385210564 /nfs/dbraw/zinc/21/05/64/1385210564.db2.gz GCFVNPKPYDMHDO-INIZCTEOSA-N 1 2 331.460 3.072 10 30 EGEELO C=C(Cl)C[N@H+](CCNC(=O)Cc1cccc2cnccc21)C1CC1 ZINC001317554701 1385319741 /nfs/dbraw/zinc/31/97/41/1385319741.db2.gz YQAFRAFZNDIAEQ-UHFFFAOYSA-N 1 2 343.858 3.110 10 30 EGEELO C=C(Cl)C[N@@H+](CCNC(=O)Cc1cccc2cnccc21)C1CC1 ZINC001317554701 1385319745 /nfs/dbraw/zinc/31/97/45/1385319745.db2.gz YQAFRAFZNDIAEQ-UHFFFAOYSA-N 1 2 343.858 3.110 10 30 EGEELO CC/C(C)=C\C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001317735700 1385430358 /nfs/dbraw/zinc/43/03/58/1385430358.db2.gz YQGATKQFJYDXSQ-FMKCSQLKSA-N 1 2 341.430 3.229 10 30 EGEELO CC/C(C)=C\C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001317735700 1385430360 /nfs/dbraw/zinc/43/03/60/1385430360.db2.gz YQGATKQFJYDXSQ-FMKCSQLKSA-N 1 2 341.430 3.229 10 30 EGEELO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001317740100 1385431799 /nfs/dbraw/zinc/43/17/99/1385431799.db2.gz HGPDXUDYQRIDCO-GASCZTMLSA-N 1 2 329.469 3.151 10 30 EGEELO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001317740100 1385431800 /nfs/dbraw/zinc/43/18/00/1385431800.db2.gz HGPDXUDYQRIDCO-GASCZTMLSA-N 1 2 329.469 3.151 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC2(C)C)C1 ZINC001317753899 1385443016 /nfs/dbraw/zinc/44/30/16/1385443016.db2.gz JZOUKSMHHXHIRD-KBPBESRZSA-N 1 2 343.309 3.254 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC2(C)C)C1 ZINC001317753899 1385443017 /nfs/dbraw/zinc/44/30/17/1385443017.db2.gz JZOUKSMHHXHIRD-KBPBESRZSA-N 1 2 343.309 3.254 10 30 EGEELO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC001176029277 1385465104 /nfs/dbraw/zinc/46/51/04/1385465104.db2.gz SMBAKWGDJUIDLP-GFCCVEGCSA-N 1 2 349.350 3.367 10 30 EGEELO C#CCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001317964488 1385590664 /nfs/dbraw/zinc/59/06/64/1385590664.db2.gz OAXXYPFIGVOQNF-SFHVURJKSA-N 1 2 334.410 3.239 10 30 EGEELO C#CCCCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001317964488 1385590669 /nfs/dbraw/zinc/59/06/69/1385590669.db2.gz OAXXYPFIGVOQNF-SFHVURJKSA-N 1 2 334.410 3.239 10 30 EGEELO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001318248542 1385636978 /nfs/dbraw/zinc/63/69/78/1385636978.db2.gz UXDOQXXFJDRQNB-INIZCTEOSA-N 1 2 336.838 3.363 10 30 EGEELO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001318248542 1385636985 /nfs/dbraw/zinc/63/69/85/1385636985.db2.gz UXDOQXXFJDRQNB-INIZCTEOSA-N 1 2 336.838 3.363 10 30 EGEELO C=C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1)c1ccccc1 ZINC001318373337 1385658230 /nfs/dbraw/zinc/65/82/30/1385658230.db2.gz DCCSNPIMBBTMQJ-CABCVRRESA-N 1 2 339.266 3.466 10 30 EGEELO C=C[C@H](C(=O)N[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1)c1ccccc1 ZINC001318373337 1385658234 /nfs/dbraw/zinc/65/82/34/1385658234.db2.gz DCCSNPIMBBTMQJ-CABCVRRESA-N 1 2 339.266 3.466 10 30 EGEELO COC(=O)c1ccc2c(c1)OCC[N@@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC001176872264 1385728602 /nfs/dbraw/zinc/72/86/02/1385728602.db2.gz WGFYMMJZFPLUJL-UHFFFAOYSA-N 1 2 336.391 3.048 10 30 EGEELO COC(=O)c1ccc2c(c1)OCC[N@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC001176872264 1385728609 /nfs/dbraw/zinc/72/86/09/1385728609.db2.gz WGFYMMJZFPLUJL-UHFFFAOYSA-N 1 2 336.391 3.048 10 30 EGEELO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cccc(-n2cccc2)c1 ZINC001320015784 1386453101 /nfs/dbraw/zinc/45/31/01/1386453101.db2.gz CWNDPUMTZVAWQR-UHFFFAOYSA-N 1 2 331.847 3.234 10 30 EGEELO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cccc(-n2cccc2)c1 ZINC001320015784 1386453104 /nfs/dbraw/zinc/45/31/04/1386453104.db2.gz CWNDPUMTZVAWQR-UHFFFAOYSA-N 1 2 331.847 3.234 10 30 EGEELO C=CCC1(C(=O)NC/C=C\C[NH2+]Cc2nccc(C)n2)CCCCC1 ZINC001321418300 1386899662 /nfs/dbraw/zinc/89/96/62/1386899662.db2.gz YKIBISUPQBWBNN-FPLPWBNLSA-N 1 2 342.487 3.074 10 30 EGEELO C=C(C)[C@@H](CC(=O)N[C@H](C)C1C[NH+](CC=C(Cl)Cl)C1)OCC ZINC001329998240 1389282670 /nfs/dbraw/zinc/28/26/70/1389282670.db2.gz DFROTAZLAQKIFY-TZMCWYRMSA-N 1 2 349.302 3.113 10 30 EGEELO C#CCCCCCC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC001330031663 1389289337 /nfs/dbraw/zinc/28/93/37/1389289337.db2.gz NBPZOGXEWMWYBG-HNNXBMFYSA-N 1 2 348.437 3.485 10 30 EGEELO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@](C)(CC)CCCCCC)C2)C1 ZINC001330171945 1389326190 /nfs/dbraw/zinc/32/61/90/1389326190.db2.gz YLEVXJZRGSFIPT-NHCUHLMSSA-N 1 2 348.531 3.310 10 30 EGEELO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@](C)(CC)CCCCCC)C2)C1 ZINC001330171945 1389326195 /nfs/dbraw/zinc/32/61/95/1389326195.db2.gz YLEVXJZRGSFIPT-NHCUHLMSSA-N 1 2 348.531 3.310 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1nnc(C)s1)CC2 ZINC001332111051 1389989629 /nfs/dbraw/zinc/98/96/29/1389989629.db2.gz LHENURVBMCDZCD-RKVPGOIHSA-N 1 2 348.516 3.062 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C)s1)CC2 ZINC001332111051 1389989634 /nfs/dbraw/zinc/98/96/34/1389989634.db2.gz LHENURVBMCDZCD-RKVPGOIHSA-N 1 2 348.516 3.062 10 30 EGEELO C=C(Cl)C[N@H+]1CC=C(CNC(=O)C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC001333432474 1390303749 /nfs/dbraw/zinc/30/37/49/1390303749.db2.gz PXQOCVYERWAECL-IAGOWNOFSA-N 1 2 340.895 3.083 10 30 EGEELO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC001333432474 1390303751 /nfs/dbraw/zinc/30/37/51/1390303751.db2.gz PXQOCVYERWAECL-IAGOWNOFSA-N 1 2 340.895 3.083 10 30 EGEELO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C1(C(C)(F)F)CC1 ZINC001488660339 1391698097 /nfs/dbraw/zinc/69/80/97/1391698097.db2.gz DEPZJJIPJHDJSD-KRWDZBQOSA-N 1 2 346.421 3.006 10 30 EGEELO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C1(C(C)(F)F)CC1 ZINC001488660339 1391698101 /nfs/dbraw/zinc/69/81/01/1391698101.db2.gz DEPZJJIPJHDJSD-KRWDZBQOSA-N 1 2 346.421 3.006 10 30 EGEELO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccc(C#N)s1 ZINC001479249314 1392199473 /nfs/dbraw/zinc/19/94/73/1392199473.db2.gz HYKQJXHIEFXGFF-AWEZNQCLSA-N 1 2 331.485 3.255 10 30 EGEELO C=C(Br)C[NH+]1CCC(N(C)C(=O)/C=C(\C)C2CC2)CC1 ZINC001479883240 1392456760 /nfs/dbraw/zinc/45/67/60/1392456760.db2.gz PUZOLBQVFTXRCU-ZRDIBKRKSA-N 1 2 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ZINC001734195810 1437937066 /nfs/dbraw/zinc/93/70/66/1437937066.db2.gz LGCHQFHLLLTSHK-UHFFFAOYSA-N 1 2 331.460 3.072 10 30 EGEELO C=CCC(C)(C)C(=O)N1C[C@]2(C)C[N@H+](Cc3cscn3)C[C@]2(C)C1 ZINC001734199403 1437940809 /nfs/dbraw/zinc/94/08/09/1437940809.db2.gz XCITWEIGQQFTPP-KDURUIRLSA-N 1 2 347.528 3.416 10 30 EGEELO C=CCC(C)(C)C(=O)N1C[C@]2(C)C[N@@H+](Cc3cscn3)C[C@]2(C)C1 ZINC001734199403 1437940810 /nfs/dbraw/zinc/94/08/10/1437940810.db2.gz XCITWEIGQQFTPP-KDURUIRLSA-N 1 2 347.528 3.416 10 30 EGEELO CC(C)=CC(=O)N(CC[N@H+](C)Cc1cc(F)ccc1C#N)C(C)C ZINC001734546316 1438142363 /nfs/dbraw/zinc/14/23/63/1438142363.db2.gz DAXJRWFDLBKLEJ-UHFFFAOYSA-N 1 2 331.435 3.332 10 30 EGEELO CC(C)=CC(=O)N(CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(C)C ZINC001734546316 1438142364 /nfs/dbraw/zinc/14/23/64/1438142364.db2.gz DAXJRWFDLBKLEJ-UHFFFAOYSA-N 1 2 331.435 3.332 10 30 EGEELO CC#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[C@@H](C)CC(C)C)C2 ZINC001750942330 1440116700 /nfs/dbraw/zinc/11/67/00/1440116700.db2.gz OTNYRMICLUYCQS-HNNXBMFYSA-N 1 2 347.528 3.213 10 30 EGEELO C=C(C)C(C)(C)C(=O)NCCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001759017074 1441218049 /nfs/dbraw/zinc/21/80/49/1441218049.db2.gz FFZGCFADABDOJF-UHFFFAOYSA-N 1 2 345.487 3.187 10 30 EGEELO Cc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000267579456 251166807 /nfs/dbraw/zinc/16/68/07/251166807.db2.gz FYKXXUGFYCTLRC-CABCVRRESA-N 1 2 341.436 3.464 10 30 EGEELO Cc1ccc([C@H]2CCC[N@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000267579456 251166811 /nfs/dbraw/zinc/16/68/11/251166811.db2.gz FYKXXUGFYCTLRC-CABCVRRESA-N 1 2 341.436 3.464 10 30 EGEELO C[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)c1noc(-c2ccccc2)n1 ZINC000342796271 141149609 /nfs/dbraw/zinc/14/96/09/141149609.db2.gz GKEWUGORKFJDNU-CYBMUJFWSA-N 1 2 344.378 3.107 10 30 EGEELO CC(C)OC(=O)C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000356302127 141339349 /nfs/dbraw/zinc/33/93/49/141339349.db2.gz VDZQQVOTHRLJNV-HNNXBMFYSA-N 1 2 329.425 3.187 10 30 EGEELO Cc1ccccc1CC(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118395864 152139118 /nfs/dbraw/zinc/13/91/18/152139118.db2.gz DDHVBFBWJRJOKF-GOSISDBHSA-N 1 2 347.462 3.315 10 30 EGEELO N#Cc1ccc(OCCC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126744440 162311593 /nfs/dbraw/zinc/31/15/93/162311593.db2.gz OKWUFCNUPUBKCG-FQEVSTJZSA-N 1 2 338.407 3.106 10 30 EGEELO N#Cc1ccc(OCCC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126744440 162311595 /nfs/dbraw/zinc/31/15/95/162311595.db2.gz OKWUFCNUPUBKCG-FQEVSTJZSA-N 1 2 338.407 3.106 10 30 EGEELO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355085358 166102880 /nfs/dbraw/zinc/10/28/80/166102880.db2.gz XIDOBEMLFFZKLR-ZDUSSCGKSA-N 1 2 328.366 3.115 10 30 EGEELO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459414418 270054727 /nfs/dbraw/zinc/05/47/27/270054727.db2.gz SHOMUKRENHLIDE-KRWDZBQOSA-N 1 2 339.395 3.240 10 30 EGEELO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459414418 270054728 /nfs/dbraw/zinc/05/47/28/270054728.db2.gz SHOMUKRENHLIDE-KRWDZBQOSA-N 1 2 339.395 3.240 10 30 EGEELO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC4(CCC4)[C@H]3c3ccco3)C2=O)cc1 ZINC000451853989 268235742 /nfs/dbraw/zinc/23/57/42/268235742.db2.gz MLSTURBZIANSKG-PKOBYXMFSA-N 1 2 347.418 3.484 10 30 EGEELO N#Cc1ccc(N2CC[C@H]([N@H+]3CC4(CCC4)[C@H]3c3ccco3)C2=O)cc1 ZINC000451853989 268235745 /nfs/dbraw/zinc/23/57/45/268235745.db2.gz MLSTURBZIANSKG-PKOBYXMFSA-N 1 2 347.418 3.484 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000188484433 277905173 /nfs/dbraw/zinc/90/51/73/277905173.db2.gz QYEJGZHCAJKPFN-QAPCUYQASA-N 1 2 336.501 3.182 10 30 EGEELO COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000061892098 454361338 /nfs/dbraw/zinc/36/13/38/454361338.db2.gz MSEARZSQOWYNMU-ZWNOBZJWSA-N 1 2 339.233 3.248 10 30 EGEELO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000580098442 325204304 /nfs/dbraw/zinc/20/43/04/325204304.db2.gz DCOORCDVCLZXCY-QRWLVFNGSA-N 1 2 337.398 3.456 10 30 EGEELO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000580098442 325204307 /nfs/dbraw/zinc/20/43/07/325204307.db2.gz DCOORCDVCLZXCY-QRWLVFNGSA-N 1 2 337.398 3.456 10 30 EGEELO Clc1ccc(C#CC[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000189632775 455225596 /nfs/dbraw/zinc/22/55/96/455225596.db2.gz CDYMRDYEPFOHDU-UHFFFAOYSA-N 1 2 340.858 3.114 10 30 EGEELO Clc1cccc(C#CC[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189742598 455237080 /nfs/dbraw/zinc/23/70/80/455237080.db2.gz WMHHAJDOEUHYDR-UHFFFAOYSA-N 1 2 340.858 3.114 10 30 EGEELO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157835500 455238003 /nfs/dbraw/zinc/23/80/03/455238003.db2.gz GKIPHZNDOGTGGQ-QGZVFWFLSA-N 1 2 344.436 3.081 10 30 EGEELO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157835500 455238006 /nfs/dbraw/zinc/23/80/06/455238006.db2.gz GKIPHZNDOGTGGQ-QGZVFWFLSA-N 1 2 344.436 3.081 10 30 EGEELO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc(C#N)cc2Br)CCO1 ZINC000595627241 459374581 /nfs/dbraw/zinc/37/45/81/459374581.db2.gz XPBKYJAAKSJOLU-INIZCTEOSA-N 1 2 335.245 3.322 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c(Br)c1 ZINC000180974476 455272011 /nfs/dbraw/zinc/27/20/11/455272011.db2.gz MIVGLBCYYZHGHD-HOTGVXAUSA-N 1 2 335.245 3.464 10 30 EGEELO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c(Br)c1 ZINC000180974476 455272016 /nfs/dbraw/zinc/27/20/16/455272016.db2.gz MIVGLBCYYZHGHD-HOTGVXAUSA-N 1 2 335.245 3.464 10 30 EGEELO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000072299931 454292016 /nfs/dbraw/zinc/29/20/16/454292016.db2.gz AEABCFLHUDIMJZ-CQSZACIVSA-N 1 2 326.375 3.337 10 30 EGEELO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000072299931 454292019 /nfs/dbraw/zinc/29/20/19/454292019.db2.gz AEABCFLHUDIMJZ-CQSZACIVSA-N 1 2 326.375 3.337 10 30 EGEELO C=CCC[C@H](C[NH+]1CCOCC1)Oc1ccc(-c2ccccc2)nn1 ZINC000072473037 454296033 /nfs/dbraw/zinc/29/60/33/454296033.db2.gz QJVSMKHUZSDLTE-GOSISDBHSA-N 1 2 339.439 3.189 10 30 EGEELO CC(C)CC[N@H+](CCC#N)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000072692174 454327813 /nfs/dbraw/zinc/32/78/13/454327813.db2.gz VXTUKOXCIQDAQN-UHFFFAOYSA-N 1 2 331.504 3.333 10 30 EGEELO CC(C)CC[N@@H+](CCC#N)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000072692174 454327816 /nfs/dbraw/zinc/32/78/16/454327816.db2.gz VXTUKOXCIQDAQN-UHFFFAOYSA-N 1 2 331.504 3.333 10 30 EGEELO C[N@@H+]1CC[C@@H](NC(=O)c2sccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000133097922 454391695 /nfs/dbraw/zinc/39/16/95/454391695.db2.gz FNEXSSWGNRSYFE-CABCVRRESA-N 1 2 347.390 3.073 10 30 EGEELO C[N@H+]1CC[C@@H](NC(=O)c2sccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000133097922 454391703 /nfs/dbraw/zinc/39/17/03/454391703.db2.gz FNEXSSWGNRSYFE-CABCVRRESA-N 1 2 347.390 3.073 10 30 EGEELO C=CC[N@@H+](CC(=O)NCCC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063287306 454402357 /nfs/dbraw/zinc/40/23/57/454402357.db2.gz CSNRGKZRGATEMM-UHFFFAOYSA-N 1 2 333.432 3.135 10 30 EGEELO C=CC[N@H+](CC(=O)NCCC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063287306 454402359 /nfs/dbraw/zinc/40/23/59/454402359.db2.gz CSNRGKZRGATEMM-UHFFFAOYSA-N 1 2 333.432 3.135 10 30 EGEELO C=CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(C#N)c1 ZINC000063300679 454403643 /nfs/dbraw/zinc/40/36/43/454403643.db2.gz NQTFWCGFSNRAIF-UHFFFAOYSA-N 1 2 335.407 3.194 10 30 EGEELO C=CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(C#N)c1 ZINC000063300679 454403646 /nfs/dbraw/zinc/40/36/46/454403646.db2.gz NQTFWCGFSNRAIF-UHFFFAOYSA-N 1 2 335.407 3.194 10 30 EGEELO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000048397915 454485872 /nfs/dbraw/zinc/48/58/72/454485872.db2.gz IXNFALVSLYYMCU-ZDUSSCGKSA-N 1 2 332.363 3.354 10 30 EGEELO COc1ccc(F)cc1[C@@H](C)Nc1[nH+]cnc2c1cnn2CCC#N ZINC000065519811 454583448 /nfs/dbraw/zinc/58/34/48/454583448.db2.gz SNCXXDVWJGVRKK-LLVKDONJSA-N 1 2 340.362 3.061 10 30 EGEELO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000107143110 454743690 /nfs/dbraw/zinc/74/36/90/454743690.db2.gz OJAREHRCAZBJIS-NEPJUHHUSA-N 1 2 325.338 3.051 10 30 EGEELO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000107143110 454743695 /nfs/dbraw/zinc/74/36/95/454743695.db2.gz OJAREHRCAZBJIS-NEPJUHHUSA-N 1 2 325.338 3.051 10 30 EGEELO Cn1cc(C[N@H+](C)Cc2cn3ccccc3c2C#N)c(C(F)(F)F)n1 ZINC000155336647 454988401 /nfs/dbraw/zinc/98/84/01/454988401.db2.gz GOMABLHAWKPBOV-UHFFFAOYSA-N 1 2 347.344 3.195 10 30 EGEELO Cn1cc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)c(C(F)(F)F)n1 ZINC000155336647 454988403 /nfs/dbraw/zinc/98/84/03/454988403.db2.gz GOMABLHAWKPBOV-UHFFFAOYSA-N 1 2 347.344 3.195 10 30 EGEELO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)o1 ZINC000156571027 455133593 /nfs/dbraw/zinc/13/35/93/455133593.db2.gz WGBCTUKDYNLDAG-INIZCTEOSA-N 1 2 325.412 3.355 10 30 EGEELO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)o1 ZINC000156571027 455133597 /nfs/dbraw/zinc/13/35/97/455133597.db2.gz WGBCTUKDYNLDAG-INIZCTEOSA-N 1 2 325.412 3.355 10 30 EGEELO C=CCNC(=O)C[NH2+][C@H](c1ccccc1Cl)c1ccccc1OC ZINC000181162985 455297270 /nfs/dbraw/zinc/29/72/70/455297270.db2.gz KOVSQQQNWCAPHC-LJQANCHMSA-N 1 2 344.842 3.330 10 30 EGEELO Cc1scc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000271404754 455624912 /nfs/dbraw/zinc/62/49/12/455624912.db2.gz WKEYEZQQLITFBG-UHFFFAOYSA-N 1 2 339.464 3.195 10 30 EGEELO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000285004162 455776267 /nfs/dbraw/zinc/77/62/67/455776267.db2.gz YIHYTCZKARVUDO-RCCFBDPRSA-N 1 2 334.847 3.228 10 30 EGEELO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000285004162 455776270 /nfs/dbraw/zinc/77/62/70/455776270.db2.gz YIHYTCZKARVUDO-RCCFBDPRSA-N 1 2 334.847 3.228 10 30 EGEELO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295445701 455849759 /nfs/dbraw/zinc/84/97/59/455849759.db2.gz PCVZWJZUVRYHJG-DNVCBOLYSA-N 1 2 347.434 3.154 10 30 EGEELO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000295445701 455849762 /nfs/dbraw/zinc/84/97/62/455849762.db2.gz PCVZWJZUVRYHJG-DNVCBOLYSA-N 1 2 347.434 3.154 10 30 EGEELO C[N@H+](Cc1cscn1)Cc1cccc(Nc2nccnc2C#N)c1 ZINC000301270770 456077098 /nfs/dbraw/zinc/07/70/98/456077098.db2.gz QTVMTASZDDLDOB-UHFFFAOYSA-N 1 2 336.424 3.180 10 30 EGEELO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2nccnc2C#N)c1 ZINC000301270770 456077102 /nfs/dbraw/zinc/07/71/02/456077102.db2.gz QTVMTASZDDLDOB-UHFFFAOYSA-N 1 2 336.424 3.180 10 30 EGEELO CCc1nnc(NCc2ccc(Cn3cc[nH+]c3)cc2)c(C#N)c1CC ZINC000301625147 456166435 /nfs/dbraw/zinc/16/64/35/456166435.db2.gz PPQRYMSDWQQKKA-UHFFFAOYSA-N 1 2 346.438 3.330 10 30 EGEELO N#Cc1ccc(F)c(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000340237594 456331605 /nfs/dbraw/zinc/33/16/05/456331605.db2.gz OSIDDQSXQZSXKS-KDOFPFPSSA-N 1 2 332.325 3.283 10 30 EGEELO N#Cc1ccc(F)c(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000340237594 456331613 /nfs/dbraw/zinc/33/16/13/456331613.db2.gz OSIDDQSXQZSXKS-KDOFPFPSSA-N 1 2 332.325 3.283 10 30 EGEELO N#Cc1csc(C[NH2+]Cc2ccc(Br)c(F)c2)n1 ZINC000352837837 456352625 /nfs/dbraw/zinc/35/26/25/456352625.db2.gz CGKFQKHXBKFHAD-UHFFFAOYSA-N 1 2 326.194 3.206 10 30 EGEELO N#Cc1csc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000352870844 456379171 /nfs/dbraw/zinc/37/91/71/456379171.db2.gz LUHTXEQAQGPFMY-UHFFFAOYSA-N 1 2 342.302 3.232 10 30 EGEELO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352896401 456397366 /nfs/dbraw/zinc/39/73/66/456397366.db2.gz HEFGQOPUTPBULC-UHFFFAOYSA-N 1 2 346.383 3.267 10 30 EGEELO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352896401 456397374 /nfs/dbraw/zinc/39/73/74/456397374.db2.gz HEFGQOPUTPBULC-UHFFFAOYSA-N 1 2 346.383 3.267 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H](OCCC(C)C)C1)CCC2 ZINC000328644639 456726714 /nfs/dbraw/zinc/72/67/14/456726714.db2.gz GAKOZAPNUJMVCD-DLBZAZTESA-N 1 2 348.491 3.120 10 30 EGEELO CC[C@H](NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)c1ccncc1 ZINC000328715173 456744373 /nfs/dbraw/zinc/74/43/73/456744373.db2.gz OIIBHYWIKAOFKU-HOTGVXAUSA-N 1 2 327.432 3.119 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1csc([C@H]3CCCO3)n1)CCC2 ZINC000328782834 456760328 /nfs/dbraw/zinc/76/03/28/456760328.db2.gz GHPYHHXFSKACEF-GXTWGEPZSA-N 1 2 346.456 3.382 10 30 EGEELO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000340959498 456784425 /nfs/dbraw/zinc/78/44/25/456784425.db2.gz QMHIYGARIBSWTR-ZBFHGGJFSA-N 1 2 345.855 3.448 10 30 EGEELO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000340959498 456784428 /nfs/dbraw/zinc/78/44/28/456784428.db2.gz QMHIYGARIBSWTR-ZBFHGGJFSA-N 1 2 345.855 3.448 10 30 EGEELO C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1)c1ncccc1F ZINC000329188396 456851331 /nfs/dbraw/zinc/85/13/31/456851331.db2.gz PJJVNCZZNPXQQT-LRDDRELGSA-N 1 2 346.406 3.182 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])NC[C@H](C)c1ncc(C)s1)CCC2 ZINC000329586249 456912710 /nfs/dbraw/zinc/91/27/10/456912710.db2.gz MLYJBKYFBZROMP-FZMZJTMJSA-N 1 2 347.488 3.141 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+]C[C@H](C)c1ncc(C)s1)CCC2 ZINC000329586249 456912712 /nfs/dbraw/zinc/91/27/12/456912712.db2.gz MLYJBKYFBZROMP-FZMZJTMJSA-N 1 2 347.488 3.141 10 30 EGEELO CC[C@@H](C)n1ncc([NH+]=C([O-])N2CCC[C@@H]2Cn2cc[nH+]c2)c1C ZINC000330143899 456990843 /nfs/dbraw/zinc/99/08/43/456990843.db2.gz ZGNQMWFOJIDBQS-UKRRQHHQSA-N 1 2 330.436 3.069 10 30 EGEELO N#Cc1ccc(Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000356605619 457080837 /nfs/dbraw/zinc/08/08/37/457080837.db2.gz VILGNMSREBBOGE-UHFFFAOYSA-N 1 2 327.347 3.385 10 30 EGEELO CC(C)C1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000330934583 457106781 /nfs/dbraw/zinc/10/67/81/457106781.db2.gz JLUFUYFEZIWUJS-UHFFFAOYSA-N 1 2 332.370 3.227 10 30 EGEELO CCN(CC)C(=O)C1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331353309 457172327 /nfs/dbraw/zinc/17/23/27/457172327.db2.gz ZZCUHANZKFUATK-UHFFFAOYSA-N 1 2 346.475 3.133 10 30 EGEELO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000347284020 457330114 /nfs/dbraw/zinc/33/01/14/457330114.db2.gz CLNBFJSAACBKID-MRXNPFEDSA-N 1 2 330.428 3.263 10 30 EGEELO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000347284020 457330123 /nfs/dbraw/zinc/33/01/23/457330123.db2.gz CLNBFJSAACBKID-MRXNPFEDSA-N 1 2 330.428 3.263 10 30 EGEELO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352022714 457334358 /nfs/dbraw/zinc/33/43/58/457334358.db2.gz QJVZMDOWLJNXLB-CQSZACIVSA-N 1 2 347.409 3.062 10 30 EGEELO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352022714 457334363 /nfs/dbraw/zinc/33/43/63/457334363.db2.gz QJVZMDOWLJNXLB-CQSZACIVSA-N 1 2 347.409 3.062 10 30 EGEELO C=CC[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1ccccc1 ZINC000355240145 457350228 /nfs/dbraw/zinc/35/02/28/457350228.db2.gz PFWJORZMNNAZOV-UHFFFAOYSA-N 1 2 333.435 3.311 10 30 EGEELO C=CC[N@@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1ccccc1 ZINC000355240145 457350232 /nfs/dbraw/zinc/35/02/32/457350232.db2.gz PFWJORZMNNAZOV-UHFFFAOYSA-N 1 2 333.435 3.311 10 30 EGEELO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000357295120 457428162 /nfs/dbraw/zinc/42/81/62/457428162.db2.gz 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IJJNTEOACPBOGT-CALCHBBNSA-N 1 2 343.427 3.114 10 30 EGEELO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000573900095 459753786 /nfs/dbraw/zinc/75/37/86/459753786.db2.gz OSQFWCCPCLEVGT-SJCJKPOMSA-N 1 2 347.846 3.040 10 30 EGEELO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000573900095 459753790 /nfs/dbraw/zinc/75/37/90/459753790.db2.gz OSQFWCCPCLEVGT-SJCJKPOMSA-N 1 2 347.846 3.040 10 30 EGEELO CCN(CCC#N)C(=O)C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593052414 459756280 /nfs/dbraw/zinc/75/62/80/459756280.db2.gz RIEHELCHHAYVOE-UHFFFAOYSA-N 1 2 337.423 3.067 10 30 EGEELO CCN(CCC#N)C(=O)C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593052414 459756286 /nfs/dbraw/zinc/75/62/86/459756286.db2.gz RIEHELCHHAYVOE-UHFFFAOYSA-N 1 2 337.423 3.067 10 30 EGEELO N#Cc1cccc2c1C[N@H+](C[C@H](O)COCc1ccccc1Cl)C2 ZINC000593126099 459781664 /nfs/dbraw/zinc/78/16/64/459781664.db2.gz RMCLXPQVASENQM-KRWDZBQOSA-N 1 2 342.826 3.105 10 30 EGEELO N#Cc1cccc2c1C[N@@H+](C[C@H](O)COCc1ccccc1Cl)C2 ZINC000593126099 459781668 /nfs/dbraw/zinc/78/16/68/459781668.db2.gz RMCLXPQVASENQM-KRWDZBQOSA-N 1 2 342.826 3.105 10 30 EGEELO C=CC[N@@H+](Cc1c(C2CC2)cnn1C)Cc1cccc([N+](=O)[O-])c1 ZINC000596995463 459814867 /nfs/dbraw/zinc/81/48/67/459814867.db2.gz JOTVETTXBHEPBB-UHFFFAOYSA-N 1 2 326.400 3.394 10 30 EGEELO C=CC[N@H+](Cc1c(C2CC2)cnn1C)Cc1cccc([N+](=O)[O-])c1 ZINC000596995463 459814870 /nfs/dbraw/zinc/81/48/70/459814870.db2.gz JOTVETTXBHEPBB-UHFFFAOYSA-N 1 2 326.400 3.394 10 30 EGEELO CCC(C)(C)OC1C[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000529642537 459831630 /nfs/dbraw/zinc/83/16/30/459831630.db2.gz VSYMYYDZPASTTH-UHFFFAOYSA-N 1 2 338.455 3.348 10 30 EGEELO CC(C)OCc1nc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)no1 ZINC000597132533 459847300 /nfs/dbraw/zinc/84/73/00/459847300.db2.gz IRCVVCOPNRBUKR-CQSZACIVSA-N 1 2 340.427 3.401 10 30 EGEELO C[C@@H](CC#N)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000597211055 459879554 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267012855 /nfs/dbraw/zinc/01/28/55/267012855.db2.gz LHVCXYIMNFTGMX-QZTJIDSGSA-N 1 2 330.428 3.053 10 30 EGEELO CCC[N@@H+](C[C@H]1CCCCO1)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000411367451 267012857 /nfs/dbraw/zinc/01/28/57/267012857.db2.gz LHVCXYIMNFTGMX-QZTJIDSGSA-N 1 2 330.428 3.053 10 30 EGEELO CC[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1[nH]cc[nH+]1 ZINC000442826384 267194410 /nfs/dbraw/zinc/19/44/10/267194410.db2.gz XKXURXKKTUVBAC-MRXNPFEDSA-N 1 2 347.378 3.350 10 30 EGEELO N#Cc1ccc(C2(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000435951488 268209856 /nfs/dbraw/zinc/20/98/56/268209856.db2.gz ZXLNYOAKCFQOCQ-UHFFFAOYSA-N 1 2 328.375 3.414 10 30 EGEELO N#Cc1cccc(/C=C/c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278244503 268233811 /nfs/dbraw/zinc/23/38/11/268233811.db2.gz ZGNJDQZNQUAFIW-UAEOLWBESA-N 1 2 336.395 3.037 10 30 EGEELO N#Cc1cccc(/C=C/c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000278244503 268233814 /nfs/dbraw/zinc/23/38/14/268233814.db2.gz ZGNJDQZNQUAFIW-UAEOLWBESA-N 1 2 336.395 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/nfs/dbraw/zinc/38/84/94/288388494.db2.gz SABTWZIGHQEAGS-DNVCBOLYSA-N 1 2 332.407 3.168 10 30 EGEELO Cn1cc(C[N@H+](CCC#N)C2CCOCC2)c(C2CCCCC2)n1 ZINC000097108446 294233086 /nfs/dbraw/zinc/23/30/86/294233086.db2.gz WIFSYCLTXVUMEJ-UHFFFAOYSA-N 1 2 330.476 3.362 10 30 EGEELO Cn1cc(C[N@@H+](CCC#N)C2CCOCC2)c(C2CCCCC2)n1 ZINC000097108446 294233093 /nfs/dbraw/zinc/23/30/93/294233093.db2.gz WIFSYCLTXVUMEJ-UHFFFAOYSA-N 1 2 330.476 3.362 10 30 EGEELO C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000554888001 315354460 /nfs/dbraw/zinc/35/44/60/315354460.db2.gz NKVSYZBBKHJQLO-AWEZNQCLSA-N 1 2 330.428 3.132 10 30 EGEELO N#Cc1csc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)n1 ZINC000352827061 456341493 /nfs/dbraw/zinc/34/14/93/456341493.db2.gz XINGOSVTANFILF-UHFFFAOYSA-N 1 2 327.331 3.246 10 30 EGEELO C=CC[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000623456559 460559069 /nfs/dbraw/zinc/55/90/69/460559069.db2.gz CNJYHQFADLTLGC-QGZVFWFLSA-N 1 2 342.487 3.426 10 30 EGEELO C=CCNC(=O)c1ccccc1NCc1[nH+]ccn1Cc1ccccc1 ZINC000088523892 454109590 /nfs/dbraw/zinc/10/95/90/454109590.db2.gz LVQRAVCQOCPKCH-UHFFFAOYSA-N 1 2 346.434 3.459 10 30 EGEELO N#Cc1ccc(NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000045310775 454152041 /nfs/dbraw/zinc/15/20/41/454152041.db2.gz BWARMUABQRNFAW-UHFFFAOYSA-N 1 2 325.759 3.181 10 30 EGEELO N#Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000103141694 454540365 /nfs/dbraw/zinc/54/03/65/454540365.db2.gz OAYVVYYLRAEUOL-UHFFFAOYSA-N 1 2 343.446 3.358 10 30 EGEELO C=CCC(CC=C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000123622053 454658864 /nfs/dbraw/zinc/65/88/64/454658864.db2.gz HPHWCGPPEQHUSU-HOTGVXAUSA-N 1 2 343.471 3.080 10 30 EGEELO C=CCOc1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1Cl ZINC000093611518 454723418 /nfs/dbraw/zinc/72/34/18/454723418.db2.gz QCPBCQFNPNLEHM-AWEZNQCLSA-N 1 2 335.753 3.404 10 30 EGEELO C=CCOc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1Cl ZINC000093611518 454723422 /nfs/dbraw/zinc/72/34/22/454723422.db2.gz QCPBCQFNPNLEHM-AWEZNQCLSA-N 1 2 335.753 3.404 10 30 EGEELO C=C(Br)C[NH+]1CCc2cc(OC)c(OC)cc2CC1 ZINC000138800090 454797880 /nfs/dbraw/zinc/79/78/80/454797880.db2.gz UAXDCRSHXDCJOG-UHFFFAOYSA-N 1 2 326.234 3.013 10 30 EGEELO N#Cc1cc(NCCc2[nH]c3ccc(F)cc3[nH+]2)ccc1[N+](=O)[O-] ZINC000167003955 454917407 /nfs/dbraw/zinc/91/74/07/454917407.db2.gz WNBADCRDLYLYHZ-UHFFFAOYSA-N 1 2 325.303 3.136 10 30 EGEELO C=CCC(CC=C)C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000151232471 454955763 /nfs/dbraw/zinc/95/57/63/454955763.db2.gz IHAKGBMZFUUVQK-QGZVFWFLSA-N 1 2 348.512 3.314 10 30 EGEELO CC(C)C(=O)Nc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000155699372 455033082 /nfs/dbraw/zinc/03/30/82/455033082.db2.gz DKIGENOLNXOMJW-UHFFFAOYSA-N 1 2 333.395 3.413 10 30 EGEELO Cc1ccc([C@H](C)[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128484385 455060286 /nfs/dbraw/zinc/06/02/86/455060286.db2.gz PQMLJXJRMLPEHM-INIZCTEOSA-N 1 2 342.464 3.333 10 30 EGEELO Cc1ccc([C@H](C)[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128484385 455060290 /nfs/dbraw/zinc/06/02/90/455060290.db2.gz PQMLJXJRMLPEHM-INIZCTEOSA-N 1 2 342.464 3.333 10 30 EGEELO Cc1csc([C@H]2C[N@H+](CCCOc3cccc(C#N)c3)CCO2)n1 ZINC000155939779 455064872 /nfs/dbraw/zinc/06/48/72/455064872.db2.gz SAXKMUUMRZYVGA-QGZVFWFLSA-N 1 2 343.452 3.166 10 30 EGEELO Cc1csc([C@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CCO2)n1 ZINC000155939779 455064875 /nfs/dbraw/zinc/06/48/75/455064875.db2.gz SAXKMUUMRZYVGA-QGZVFWFLSA-N 1 2 343.452 3.166 10 30 EGEELO C=CCn1c(SCc2c[nH+]c3ccccn23)nnc1-c1cccnc1 ZINC000179702155 455068775 /nfs/dbraw/zinc/06/87/75/455068775.db2.gz AITCTHYQCGUOBN-UHFFFAOYSA-N 1 2 348.435 3.466 10 30 EGEELO Cc1cc(C#N)ccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000128802968 455084108 /nfs/dbraw/zinc/08/41/08/455084108.db2.gz IPHXCFUUSDZZPK-OAHLLOKOSA-N 1 2 339.464 3.447 10 30 EGEELO C=C(C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000156379253 455111640 /nfs/dbraw/zinc/11/16/40/455111640.db2.gz NBNXXWNTKXITBH-LSDHHAIUSA-N 1 2 325.815 3.100 10 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/nfs/dbraw/zinc/55/44/74/455554474.db2.gz LKZSAXBXHCYPKN-NRFANRHFSA-N 1 2 328.459 3.096 10 30 EGEELO C[C@H]1CN(CC#Cc2ccccc2)CC[N@@H+]1CC#Cc1ccccc1 ZINC000192085558 455554477 /nfs/dbraw/zinc/55/44/77/455554477.db2.gz LKZSAXBXHCYPKN-NRFANRHFSA-N 1 2 328.459 3.096 10 30 EGEELO C[C@H]1CN(CC#Cc2ccccc2)CC[N@H+]1CC#Cc1ccccc1 ZINC000192085558 455554478 /nfs/dbraw/zinc/55/44/78/455554478.db2.gz LKZSAXBXHCYPKN-NRFANRHFSA-N 1 2 328.459 3.096 10 30 EGEELO N#Cc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000269132676 455796118 /nfs/dbraw/zinc/79/61/18/455796118.db2.gz LRWGHVPXARHYLH-UHFFFAOYSA-N 1 2 329.791 3.346 10 30 EGEELO C=CC[N@@H+](CCC#N)C[C@](C)(O)c1ccc(Br)cc1F ZINC000293722411 455796219 /nfs/dbraw/zinc/79/62/19/455796219.db2.gz YPNOYFVTEACWTR-HNNXBMFYSA-N 1 2 341.224 3.197 10 30 EGEELO C=CC[N@H+](CCC#N)C[C@](C)(O)c1ccc(Br)cc1F ZINC000293722411 455796226 /nfs/dbraw/zinc/79/62/26/455796226.db2.gz YPNOYFVTEACWTR-HNNXBMFYSA-N 1 2 341.224 3.197 10 30 EGEELO C=CCC(F)(F)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000294872604 455831034 /nfs/dbraw/zinc/83/10/34/455831034.db2.gz HKHJJHBFBJOOJN-UHFFFAOYSA-N 1 2 333.382 3.344 10 30 EGEELO CCN(c1ccc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)cc1)C(C)C ZINC000272495878 455970377 /nfs/dbraw/zinc/97/03/77/455970377.db2.gz CWUFYPHSTPVZLU-UHFFFAOYSA-N 1 2 342.487 3.485 10 30 EGEELO CC1(C#N)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272573438 455998995 /nfs/dbraw/zinc/99/89/95/455998995.db2.gz WKCIQYBITNDLAE-UHFFFAOYSA-N 1 2 325.315 3.322 10 30 EGEELO Cc1nc(C[NH+]2CCN(c3cc(C#N)nc4ccccc43)CC2)oc1C ZINC000301392357 456106074 /nfs/dbraw/zinc/10/60/74/456106074.db2.gz BNBDOBRJLDCBJS-UHFFFAOYSA-N 1 2 347.422 3.034 10 30 EGEELO C#Cc1ccc(CNC(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)cc1 ZINC000297595424 456260371 /nfs/dbraw/zinc/26/03/71/456260371.db2.gz MZXTWLYQLQJMOU-GOSISDBHSA-N 1 2 336.439 3.321 10 30 EGEELO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352807805 456326002 /nfs/dbraw/zinc/32/60/02/456326002.db2.gz AHMMDGWXRXWMFS-UHFFFAOYSA-N 1 2 329.425 3.260 10 30 EGEELO Cc1ccc(NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)nc1C#N ZINC000302616992 456366267 /nfs/dbraw/zinc/36/62/67/456366267.db2.gz GBOWOQHJOCABEE-GOEBONIOSA-N 1 2 342.468 3.197 10 30 EGEELO Cc1ccc(NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)nc1C#N ZINC000302616992 456366271 /nfs/dbraw/zinc/36/62/71/456366271.db2.gz GBOWOQHJOCABEE-GOEBONIOSA-N 1 2 342.468 3.197 10 30 EGEELO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C#N)o2)c(C)c1 ZINC000343382357 456577016 /nfs/dbraw/zinc/57/70/16/456577016.db2.gz MCVQMPKUQUEACS-KRWDZBQOSA-N 1 2 334.379 3.136 10 30 EGEELO Cc1c(C#N)cccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000337961572 456624430 /nfs/dbraw/zinc/62/44/30/456624430.db2.gz PRPWJKYIOBXKTH-UHFFFAOYSA-N 1 2 330.391 3.042 10 30 EGEELO Cc1csc([C@H](C)NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000328654356 456729096 /nfs/dbraw/zinc/72/90/96/456729096.db2.gz LSLZQFNRQNKTMY-STQMWFEESA-N 1 2 333.461 3.099 10 30 EGEELO CC1(C)C[C@H]([NH+]=C([O-])N[C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2O1 ZINC000329624432 456917501 /nfs/dbraw/zinc/91/75/01/456917501.db2.gz SJYKWOUCKCOQGS-LRDDRELGSA-N 1 2 340.427 3.073 10 30 EGEELO CC1(C)C[C@H](NC([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc2O1 ZINC000329624432 456917505 /nfs/dbraw/zinc/91/75/05/456917505.db2.gz SJYKWOUCKCOQGS-LRDDRELGSA-N 1 2 340.427 3.073 10 30 EGEELO C=CC[N@@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1cccc([N+](=O)[O-])c1 ZINC000345110475 456929210 /nfs/dbraw/zinc/92/92/10/456929210.db2.gz XPGJEXCXDVVCEK-HOTGVXAUSA-N 1 2 345.443 3.087 10 30 EGEELO C=CC[N@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1cccc([N+](=O)[O-])c1 ZINC000345110475 456929215 /nfs/dbraw/zinc/92/92/15/456929215.db2.gz XPGJEXCXDVVCEK-HOTGVXAUSA-N 1 2 345.443 3.087 10 30 EGEELO O=C(NCc1cn2ccccc2[nH+]1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329806372 456943553 /nfs/dbraw/zinc/94/35/53/456943553.db2.gz BATKQEHYUFTMRL-KRWDZBQOSA-N 1 2 342.443 3.029 10 30 EGEELO Cn1cc(CNc2[nH]c3cc(F)ccc3[nH+]2)c(-c2ccc(C#N)cc2)n1 ZINC000362650781 457026612 /nfs/dbraw/zinc/02/66/12/457026612.db2.gz WAVNCGCJCFAQCY-UHFFFAOYSA-N 1 2 346.369 3.008 10 30 EGEELO CCN(CC#N)C(=O)[C@@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000346667531 457103740 /nfs/dbraw/zinc/10/37/40/457103740.db2.gz RAQKZCXKMYHMJA-MRXNPFEDSA-N 1 2 337.826 3.378 10 30 EGEELO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000339563811 457144844 /nfs/dbraw/zinc/14/48/44/457144844.db2.gz QNKSCMUTNITORQ-TZMCWYRMSA-N 1 2 328.460 3.370 10 30 EGEELO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000339563811 457144850 /nfs/dbraw/zinc/14/48/50/457144850.db2.gz QNKSCMUTNITORQ-TZMCWYRMSA-N 1 2 328.460 3.370 10 30 EGEELO C=CCSCCNC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000354417705 457209588 /nfs/dbraw/zinc/20/95/88/457209588.db2.gz FTXWXINBTZLRIS-UHFFFAOYSA-N 1 2 331.485 3.414 10 30 EGEELO C=CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2C)cc1 ZINC000355510676 457381952 /nfs/dbraw/zinc/38/19/52/457381952.db2.gz KTIFUWFSQJGSQP-HXUWFJFHSA-N 1 2 336.435 3.233 10 30 EGEELO C=CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2C)cc1 ZINC000355510676 457381958 /nfs/dbraw/zinc/38/19/58/457381958.db2.gz KTIFUWFSQJGSQP-HXUWFJFHSA-N 1 2 336.435 3.233 10 30 EGEELO N#Cc1csc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000356120562 457462467 /nfs/dbraw/zinc/46/24/67/457462467.db2.gz HGJPWPVHMAAFPJ-ZDUSSCGKSA-N 1 2 329.400 3.249 10 30 EGEELO N#Cc1csc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000356120562 457462473 /nfs/dbraw/zinc/46/24/73/457462473.db2.gz HGJPWPVHMAAFPJ-ZDUSSCGKSA-N 1 2 329.400 3.249 10 30 EGEELO Cn1c2cc(F)ccc2[nH+]c1CCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357507371 457569965 /nfs/dbraw/zinc/56/99/65/457569965.db2.gz FPFWPLGCHNYOCQ-UHFFFAOYSA-N 1 2 339.330 3.147 10 30 EGEELO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCOCC[C@H]2C)ccc1Cl ZINC000375001620 457750935 /nfs/dbraw/zinc/75/09/35/457750935.db2.gz CLUCVDHKJVWWGJ-OAHLLOKOSA-N 1 2 349.862 3.006 10 30 EGEELO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCOCC[C@H]2C)ccc1Cl ZINC000375001620 457750942 /nfs/dbraw/zinc/75/09/42/457750942.db2.gz CLUCVDHKJVWWGJ-OAHLLOKOSA-N 1 2 349.862 3.006 10 30 EGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000411197128 457826800 /nfs/dbraw/zinc/82/68/00/457826800.db2.gz VNOBIDUORXLSNK-GJZGRUSLSA-N 1 2 333.432 3.276 10 30 EGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000411197128 457826803 /nfs/dbraw/zinc/82/68/03/457826803.db2.gz VNOBIDUORXLSNK-GJZGRUSLSA-N 1 2 333.432 3.276 10 30 EGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N1CCCCCC1 ZINC000411194876 457826998 /nfs/dbraw/zinc/82/69/98/457826998.db2.gz RBZFXOACTGLXRW-INIZCTEOSA-N 1 2 345.443 3.374 10 30 EGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N1CCCCCC1 ZINC000411194876 457827002 /nfs/dbraw/zinc/82/70/02/457827002.db2.gz RBZFXOACTGLXRW-INIZCTEOSA-N 1 2 345.443 3.374 10 30 EGEELO C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(C#N)cc1F ZINC000358566697 458081104 /nfs/dbraw/zinc/08/11/04/458081104.db2.gz BMBUIDCHDAYVJO-SNVBAGLBSA-N 1 2 326.297 3.307 10 30 EGEELO CN(CCCn1cc[nH+]c1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458801798 458177168 /nfs/dbraw/zinc/17/71/68/458177168.db2.gz NXDQBKSLDRGTCN-GOSISDBHSA-N 1 2 339.443 3.350 10 30 EGEELO CC(C)(CC#N)CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000459212079 458292462 /nfs/dbraw/zinc/29/24/62/458292462.db2.gz AIHXEVMQRCXLAX-OAHLLOKOSA-N 1 2 343.475 3.048 10 30 EGEELO C=CCCc1ccccc1NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421236436 458408866 /nfs/dbraw/zinc/40/88/66/458408866.db2.gz ACRDOJUVEOLDJB-UHFFFAOYSA-N 1 2 337.423 3.072 10 30 EGEELO N#CCCN(Cc1[nH+]ccn1Cc1ccccc1)Cc1cccnc1 ZINC000505858521 458749486 /nfs/dbraw/zinc/74/94/86/458749486.db2.gz FSZBSISLQSQKAD-UHFFFAOYSA-N 1 2 331.423 3.242 10 30 EGEELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000531562623 458936294 /nfs/dbraw/zinc/93/62/94/458936294.db2.gz GWCSUXREZKCKJH-HVEKOLDVSA-N 1 2 345.874 3.485 10 30 EGEELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#Cc2ccccc2)cc1 ZINC000556695011 458990706 /nfs/dbraw/zinc/99/07/06/458990706.db2.gz NYGMBFUUUZJCKA-LJQANCHMSA-N 1 2 341.414 3.097 10 30 EGEELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#Cc2ccccc2)cc1 ZINC000556695011 458990712 /nfs/dbraw/zinc/99/07/12/458990712.db2.gz NYGMBFUUUZJCKA-LJQANCHMSA-N 1 2 341.414 3.097 10 30 EGEELO FC(F)(F)c1ccc(C#CC[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000577950632 459122093 /nfs/dbraw/zinc/12/20/93/459122093.db2.gz UAIIBJKTECAFGL-INIZCTEOSA-N 1 2 341.398 3.265 10 30 EGEELO FC(F)(F)c1ccc(C#CC[N@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000577950632 459122096 /nfs/dbraw/zinc/12/20/96/459122096.db2.gz UAIIBJKTECAFGL-INIZCTEOSA-N 1 2 341.398 3.265 10 30 EGEELO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nc1 ZINC000590754385 459205812 /nfs/dbraw/zinc/20/58/12/459205812.db2.gz DMQMPCRHESFDOU-CMVHYPBASA-N 1 2 342.487 3.141 10 30 EGEELO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nc1 ZINC000590754385 459205816 /nfs/dbraw/zinc/20/58/16/459205816.db2.gz DMQMPCRHESFDOU-CMVHYPBASA-N 1 2 342.487 3.141 10 30 EGEELO COC(=O)C(C)(C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000591375656 459363907 /nfs/dbraw/zinc/36/39/07/459363907.db2.gz NSAXZMAQTOCIRD-OAHLLOKOSA-N 1 2 329.425 3.045 10 30 EGEELO CC#CCCNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000483428063 459369598 /nfs/dbraw/zinc/36/95/98/459369598.db2.gz MBHODVOTUQYUBJ-HNNXBMFYSA-N 1 2 333.863 3.142 10 30 EGEELO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839239 459460715 /nfs/dbraw/zinc/46/07/15/459460715.db2.gz HDNXRTMYJIVDLR-SJKOYZFVSA-N 1 2 337.826 3.062 10 30 EGEELO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839239 459460719 /nfs/dbraw/zinc/46/07/19/459460719.db2.gz HDNXRTMYJIVDLR-SJKOYZFVSA-N 1 2 337.826 3.062 10 30 EGEELO COc1ccc(C[N@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1C#N ZINC000595890487 459477153 /nfs/dbraw/zinc/47/71/53/459477153.db2.gz MRNOIPHNDPYEFP-SMDDNHRTSA-N 1 2 328.334 3.109 10 30 EGEELO COc1ccc(C[N@@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1C#N ZINC000595890487 459477159 /nfs/dbraw/zinc/47/71/59/459477159.db2.gz MRNOIPHNDPYEFP-SMDDNHRTSA-N 1 2 328.334 3.109 10 30 EGEELO N#C[C@@H]1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000562463414 459566566 /nfs/dbraw/zinc/56/65/66/459566566.db2.gz JFJKOXAKPRGQRC-MFKMUULPSA-N 1 2 346.232 3.016 10 30 EGEELO Cc1cc[nH+]cc1Cc1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1 ZINC000596617961 459700939 /nfs/dbraw/zinc/70/09/39/459700939.db2.gz YYCPOQJCSSYFHR-UHFFFAOYSA-N 1 2 334.354 3.455 10 30 EGEELO CCn1cc[nH+]c1[C@@H](C)NC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000596620358 459701934 /nfs/dbraw/zinc/70/19/34/459701934.db2.gz FPADAUANIHDNDV-CYBMUJFWSA-N 1 2 325.416 3.070 10 30 EGEELO N#Cc1ccc(CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cn1 ZINC000527779526 459734370 /nfs/dbraw/zinc/73/43/70/459734370.db2.gz NGXJHCKYUYHZDM-UHFFFAOYSA-N 1 2 345.406 3.211 10 30 EGEELO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000593014317 459739778 /nfs/dbraw/zinc/73/97/78/459739778.db2.gz IDELIZWQJVTYLA-IBGZPJMESA-N 1 2 337.379 3.348 10 30 EGEELO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000593014317 459739783 /nfs/dbraw/zinc/73/97/83/459739783.db2.gz IDELIZWQJVTYLA-IBGZPJMESA-N 1 2 337.379 3.348 10 30 EGEELO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593127708 459782712 /nfs/dbraw/zinc/78/27/12/459782712.db2.gz UEWUYLVWRNWWKV-MRXNPFEDSA-N 1 2 342.826 3.276 10 30 EGEELO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593127708 459782716 /nfs/dbraw/zinc/78/27/16/459782716.db2.gz UEWUYLVWRNWWKV-MRXNPFEDSA-N 1 2 342.826 3.276 10 30 EGEELO N#CC1(CC(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CCOCC1 ZINC000597033028 459821130 /nfs/dbraw/zinc/82/11/30/459821130.db2.gz UHWXHPFGJVCRAM-UHFFFAOYSA-N 1 2 338.411 3.479 10 30 EGEELO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1Cl ZINC000593278512 459827407 /nfs/dbraw/zinc/82/74/07/459827407.db2.gz PZKYYRDNBJTGSA-UHFFFAOYSA-N 1 2 349.843 3.067 10 30 EGEELO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000602104475 459842418 /nfs/dbraw/zinc/84/24/18/459842418.db2.gz FCMHGLQCYGYTOW-QRWLVFNGSA-N 1 2 349.434 3.019 10 30 EGEELO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000602104475 459842425 /nfs/dbraw/zinc/84/24/25/459842425.db2.gz FCMHGLQCYGYTOW-QRWLVFNGSA-N 1 2 349.434 3.019 10 30 EGEELO Cc1cc(Br)cn2c(CN3CC[C@@](C)(C#N)C3)c[nH+]c12 ZINC000597232077 459886500 /nfs/dbraw/zinc/88/65/00/459886500.db2.gz RVYPZOIIROKLTQ-HNNXBMFYSA-N 1 2 333.233 3.141 10 30 EGEELO CCCNc1ccc(C#N)cc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593484422 459903566 /nfs/dbraw/zinc/90/35/66/459903566.db2.gz OEGCPRLICQOVDC-UHFFFAOYSA-N 1 2 337.427 3.094 10 30 EGEELO Cc1cnc([C@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])C2CC2)s1 ZINC000575049573 459914702 /nfs/dbraw/zinc/91/47/02/459914702.db2.gz GXLKLKWWZNIWSG-OAHLLOKOSA-N 1 2 328.397 3.472 10 30 EGEELO N#CCCCCCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000588166328 459925263 /nfs/dbraw/zinc/92/52/63/459925263.db2.gz FQPQCCLPLQVIKC-MRXNPFEDSA-N 1 2 328.460 3.399 10 30 EGEELO N#Cc1ccc(N2CC[C@H]([NH2+][C@@H](C(F)F)C3CCCCC3)C2=O)cc1 ZINC000598651149 459977468 /nfs/dbraw/zinc/97/74/68/459977468.db2.gz WROXDDIWHXRRQL-DLBZAZTESA-N 1 2 347.409 3.467 10 30 EGEELO CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1C#N ZINC000597719495 460038977 /nfs/dbraw/zinc/03/89/77/460038977.db2.gz HLSPKGLQZQEQBP-LBPRGKRZSA-N 1 2 338.411 3.202 10 30 EGEELO CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1C#N ZINC000597719495 460038982 /nfs/dbraw/zinc/03/89/82/460038982.db2.gz HLSPKGLQZQEQBP-LBPRGKRZSA-N 1 2 338.411 3.202 10 30 EGEELO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000589497412 460094663 /nfs/dbraw/zinc/09/46/63/460094663.db2.gz CJVHIYPMQUIVOU-CQSZACIVSA-N 1 2 338.480 3.430 10 30 EGEELO Cc1cc(N[C@@H]2CCc3cc(C#N)ccc32)nc(-c2ccncc2)[nH+]1 ZINC000618693499 460131624 /nfs/dbraw/zinc/13/16/24/460131624.db2.gz IGUPKJZXRSJYFW-GOSISDBHSA-N 1 2 327.391 3.240 10 30 EGEELO COC(=O)c1cc(F)ccc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678690 460307709 /nfs/dbraw/zinc/30/77/09/460307709.db2.gz LACHSIHYLALURU-UHFFFAOYSA-N 1 2 338.382 3.237 10 30 EGEELO COC(=O)c1cc(F)ccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678690 460307714 /nfs/dbraw/zinc/30/77/14/460307714.db2.gz LACHSIHYLALURU-UHFFFAOYSA-N 1 2 338.382 3.237 10 30 EGEELO N#CCc1cccc2c1CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000599679155 460307891 /nfs/dbraw/zinc/30/78/91/460307891.db2.gz QCQWZMYLIMDLKI-UHFFFAOYSA-N 1 2 325.343 3.358 10 30 EGEELO N#CCc1cccc2c1CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000599679155 460307895 /nfs/dbraw/zinc/30/78/95/460307895.db2.gz QCQWZMYLIMDLKI-UHFFFAOYSA-N 1 2 325.343 3.358 10 30 EGEELO COc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1[N+](=O)[O-] ZINC000599685776 460309966 /nfs/dbraw/zinc/30/99/66/460309966.db2.gz KKRNEQBAMYSLIW-UHFFFAOYSA-N 1 2 337.379 3.228 10 30 EGEELO COc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1[N+](=O)[O-] ZINC000599685776 460309970 /nfs/dbraw/zinc/30/99/70/460309970.db2.gz KKRNEQBAMYSLIW-UHFFFAOYSA-N 1 2 337.379 3.228 10 30 EGEELO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686305 460311447 /nfs/dbraw/zinc/31/14/47/460311447.db2.gz PQLNZRVIEAPHHS-HNNXBMFYSA-N 1 2 344.418 3.010 10 30 EGEELO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686305 460311450 /nfs/dbraw/zinc/31/14/50/460311450.db2.gz PQLNZRVIEAPHHS-HNNXBMFYSA-N 1 2 344.418 3.010 10 30 EGEELO CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C#N)CC(C)C ZINC000611279953 460328336 /nfs/dbraw/zinc/32/83/36/460328336.db2.gz AQRCKDLAVMCROM-HNNXBMFYSA-N 1 2 326.444 3.433 10 30 EGEELO Cc1cn2c([nH+]1)C[C@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)CC2 ZINC000599770085 460330474 /nfs/dbraw/zinc/33/04/74/460330474.db2.gz FWSYOKPNUJADLX-LSWWBPAMSA-N 1 2 342.487 3.369 10 30 EGEELO N#Cc1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000619768995 460439594 /nfs/dbraw/zinc/43/95/94/460439594.db2.gz VNZAFIRFTFXDPU-UHFFFAOYSA-N 1 2 343.818 3.024 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c(OC(F)F)c1 ZINC000601971119 460967197 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C=C(Cl)C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)C(=O)OCC ZINC000877671737 1299468227 /nfs/dbraw/zinc/46/82/27/1299468227.db2.gz NVACKHBLRXREMI-HNNXBMFYSA-N 1 2 329.868 3.390 10 30 EGEELO C=C(Cl)C[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1)C(=O)OCC ZINC000877671750 1299468944 /nfs/dbraw/zinc/46/89/44/1299468944.db2.gz OBHJOTAYIGEGCE-RZFFKMDDSA-N 1 2 345.867 3.018 10 30 EGEELO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)CCc2cccc(C#N)c2)c1C ZINC000879433815 1300534871 /nfs/dbraw/zinc/53/48/71/1300534871.db2.gz GNCNPTNDAWJDQS-UHFFFAOYSA-N 1 2 337.423 3.063 10 30 EGEELO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)CCc2cccc(C#N)c2)c1C ZINC000879433815 1300534876 /nfs/dbraw/zinc/53/48/76/1300534876.db2.gz GNCNPTNDAWJDQS-UHFFFAOYSA-N 1 2 337.423 3.063 10 30 EGEELO C=CC[S@@](=O)(=NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000891380240 1305034828 /nfs/dbraw/zinc/03/48/28/1305034828.db2.gz DQCBTHAZPZLZSQ-DEOSSOPVSA-N 1 2 343.452 3.002 10 30 EGEELO C=C(C)C[C@@H]([NH2+]C1CCN(c2ccccc2OC)CC1)C(=O)OCC ZINC000895592455 1309419438 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C[C@H]1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000860042892 1329132873 /nfs/dbraw/zinc/13/28/73/1329132873.db2.gz LKOZDXGZCMFQOJ-MAUKXSAKSA-N 1 2 336.439 3.142 10 30 EGEELO CCCCC[C@H](C)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000860105361 1329148164 /nfs/dbraw/zinc/14/81/64/1329148164.db2.gz PJUSLHNSXGANGQ-INIZCTEOSA-N 1 2 327.472 3.196 10 30 EGEELO CCCCC[C@H](C)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000860105361 1329148166 /nfs/dbraw/zinc/14/81/66/1329148166.db2.gz PJUSLHNSXGANGQ-INIZCTEOSA-N 1 2 327.472 3.196 10 30 EGEELO Cc1ccc(NC(=O)N2CCc3c(CC#N)cccc3C2)c(N(C)C)[nH+]1 ZINC000860810478 1329358273 /nfs/dbraw/zinc/35/82/73/1329358273.db2.gz IAGAVNOYIBLLPC-UHFFFAOYSA-N 1 2 349.438 3.112 10 30 EGEELO CC[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1cccc(C#N)c1O ZINC000926831403 1327735846 /nfs/dbraw/zinc/73/58/46/1327735846.db2.gz RAWUAWIUEWMHDJ-CYBMUJFWSA-N 1 2 338.333 3.220 10 30 EGEELO C=CC[C@H](C(=O)NCc1nc(C[NH+](C)C)cs1)c1ccccc1 ZINC000927767081 1328133627 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EGEELO C[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1cccc(C#N)c1O ZINC000866293569 1330091788 /nfs/dbraw/zinc/09/17/88/1330091788.db2.gz TUEXKMOJSTVHJP-QWHCGFSZSA-N 1 2 333.432 3.218 10 30 EGEELO C[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1cccc(C#N)c1O ZINC000866308053 1330093715 /nfs/dbraw/zinc/09/37/15/1330093715.db2.gz PFWZDJKXKMWKOT-DZGCQCFKSA-N 1 2 332.469 3.359 10 30 EGEELO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@H](C)NC(=O)OC(C)(C)C ZINC000866362420 1330102361 /nfs/dbraw/zinc/10/23/61/1330102361.db2.gz BIXGJMDAMARNNB-AGIUHOORSA-N 1 2 333.432 3.216 10 30 EGEELO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc(C#N)c3O)C2)cc1 ZINC000866385926 1330105096 /nfs/dbraw/zinc/10/50/96/1330105096.db2.gz SUCMYWGIOTVCIT-GOEBONIOSA-N 1 2 337.423 3.202 10 30 EGEELO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866392592 1330105643 /nfs/dbraw/zinc/10/56/43/1330105643.db2.gz DUZAVHPRIIURIO-STQMWFEESA-N 1 2 333.432 3.170 10 30 EGEELO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H](C)c1cccc(C#N)c1O 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ZINC001725283936 1425921012 /nfs/dbraw/zinc/92/10/12/1425921012.db2.gz ZMTWJJWHEGRSQR-RTWAWAEBSA-N 1 2 348.531 3.310 10 30 EGEELO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@](C)(CC)CCCCC)C2)C1 ZINC001725283936 1425921015 /nfs/dbraw/zinc/92/10/15/1425921015.db2.gz ZMTWJJWHEGRSQR-RTWAWAEBSA-N 1 2 348.531 3.310 10 30 EGEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1cnn(C2CCC2)c1)C(C)C ZINC001725728696 1426394820 /nfs/dbraw/zinc/39/48/20/1426394820.db2.gz PVSYXQRVJILKDB-UHFFFAOYSA-N 1 2 338.883 3.143 10 30 EGEELO C=C(Cl)C[N@H+](C)CCN(C(=O)c1cnn(C2CCC2)c1)C(C)C ZINC001725728696 1426394823 /nfs/dbraw/zinc/39/48/23/1426394823.db2.gz PVSYXQRVJILKDB-UHFFFAOYSA-N 1 2 338.883 3.143 10 30 EGEELO C=C(Cl)C[N@H+]1CC=C(CNC(=O)COc2ccc(C)c(C)c2)CC1 ZINC001725828959 1426506071 /nfs/dbraw/zinc/50/60/71/1426506071.db2.gz AILSCALYZVYXBS-UHFFFAOYSA-N 1 2 348.874 3.183 10 30 EGEELO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)COc2ccc(C)c(C)c2)CC1 ZINC001725828959 1426506080 /nfs/dbraw/zinc/50/60/80/1426506080.db2.gz AILSCALYZVYXBS-UHFFFAOYSA-N 1 2 348.874 3.183 10 30 EGEELO CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](NC(=O)C#CC(C)C)C1 ZINC001731371731 1427300883 /nfs/dbraw/zinc/30/08/83/1427300883.db2.gz WXDLIBXWXPJSHC-HNNXBMFYSA-N 1 2 348.874 3.089 10 30 EGEELO CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](NC(=O)C#CC(C)C)C1 ZINC001731371731 1427300889 /nfs/dbraw/zinc/30/08/89/1427300889.db2.gz WXDLIBXWXPJSHC-HNNXBMFYSA-N 1 2 348.874 3.089 10 30 EGEELO C#CCCCC(=O)N[C@@H]1CC12CC[NH+](C/C(Cl)=C/Cl)CC2 ZINC001731379777 1427315845 /nfs/dbraw/zinc/31/58/45/1427315845.db2.gz QUPOEXCEXNVZEK-YBEMTRGBSA-N 1 2 329.271 3.080 10 30 EGEELO C=CCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001731708057 1427761792 /nfs/dbraw/zinc/76/17/92/1427761792.db2.gz LZVNQHPFHPVBPA-MRXNPFEDSA-N 1 2 333.501 3.410 10 30 EGEELO C=CCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001731708057 1427761793 /nfs/dbraw/zinc/76/17/93/1427761793.db2.gz LZVNQHPFHPVBPA-MRXNPFEDSA-N 1 2 333.501 3.410 10 30 EGEELO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2nnc(CC)o2)C1 ZINC001731717080 1427781230 /nfs/dbraw/zinc/78/12/30/1427781230.db2.gz YJUYWXCLKHHXDF-CABCVRRESA-N 1 2 348.491 3.218 10 30 EGEELO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2nnc(CC)o2)C1 ZINC001731717080 1427781231 /nfs/dbraw/zinc/78/12/31/1427781231.db2.gz YJUYWXCLKHHXDF-CABCVRRESA-N 1 2 348.491 3.218 10 30 EGEELO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2nnc(CC)o2)C1 ZINC001731717084 1427781757 /nfs/dbraw/zinc/78/17/57/1427781757.db2.gz YJUYWXCLKHHXDF-GJZGRUSLSA-N 1 2 348.491 3.218 10 30 EGEELO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2nnc(CC)o2)C1 ZINC001731717084 1427781759 /nfs/dbraw/zinc/78/17/59/1427781759.db2.gz YJUYWXCLKHHXDF-GJZGRUSLSA-N 1 2 348.491 3.218 10 30 EGEELO C=C(C)C(C)(C)C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1csnn1 ZINC001731754254 1427853029 /nfs/dbraw/zinc/85/30/29/1427853029.db2.gz YWOGBIZDWCPEPB-OAHLLOKOSA-N 1 2 336.505 3.001 10 30 EGEELO C=C(C)C(C)(C)C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1csnn1 ZINC001731754254 1427853035 /nfs/dbraw/zinc/85/30/35/1427853035.db2.gz YWOGBIZDWCPEPB-OAHLLOKOSA-N 1 2 336.505 3.001 10 30 EGEELO C=C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1coc(C)n1)c1ccccc1 ZINC001731838210 1428057332 /nfs/dbraw/zinc/05/73/32/1428057332.db2.gz LMVIDYHSDLUXGK-RBUKOAKNSA-N 1 2 339.439 3.033 10 30 EGEELO C=C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1coc(C)n1)c1ccccc1 ZINC001731838210 1428057335 /nfs/dbraw/zinc/05/73/35/1428057335.db2.gz LMVIDYHSDLUXGK-RBUKOAKNSA-N 1 2 339.439 3.033 10 30 EGEELO C=C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cscn1)c1ccccc1 ZINC001731838616 1428058121 /nfs/dbraw/zinc/05/81/21/1428058121.db2.gz QVPREOYOYJOPLI-ZWKOTPCHSA-N 1 2 341.480 3.194 10 30 EGEELO C=C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1cscn1)c1ccccc1 ZINC001731838616 1428058125 /nfs/dbraw/zinc/05/81/25/1428058125.db2.gz QVPREOYOYJOPLI-ZWKOTPCHSA-N 1 2 341.480 3.194 10 30 EGEELO C=CC(C)(C)CC(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001731876762 1428141123 /nfs/dbraw/zinc/14/11/23/1428141123.db2.gz HMVGOGNAWHPOJC-UHFFFAOYSA-N 1 2 343.446 3.380 10 30 EGEELO C=CC(C)(C)CC(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001731876762 1428141124 /nfs/dbraw/zinc/14/11/24/1428141124.db2.gz HMVGOGNAWHPOJC-UHFFFAOYSA-N 1 2 343.446 3.380 10 30 EGEELO N#Cc1ccccc1C[N@@H+](CCNC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001731877403 1428143621 /nfs/dbraw/zinc/14/36/21/1428143621.db2.gz FHKKBIZOVWQOGQ-IBGZPJMESA-N 1 2 337.467 3.219 10 30 EGEELO N#Cc1ccccc1C[N@H+](CCNC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001731877403 1428143626 /nfs/dbraw/zinc/14/36/26/1428143626.db2.gz FHKKBIZOVWQOGQ-IBGZPJMESA-N 1 2 337.467 3.219 10 30 EGEELO C=CCCC(=O)N1CCC[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001733604459 1429813820 /nfs/dbraw/zinc/81/38/20/1429813820.db2.gz YIXQWNIFWRBEHY-GXTWGEPZSA-N 1 2 339.892 3.186 10 30 EGEELO C=CCCC(=O)N1CCC[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001733604459 1429813832 /nfs/dbraw/zinc/81/38/32/1429813832.db2.gz YIXQWNIFWRBEHY-GXTWGEPZSA-N 1 2 339.892 3.186 10 30 EGEELO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCF ZINC001733605245 1429815040 /nfs/dbraw/zinc/81/50/40/1429815040.db2.gz CPMAAOULKGGSGN-ZWKOTPCHSA-N 1 2 347.409 3.012 10 30 EGEELO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCF ZINC001733605245 1429815044 /nfs/dbraw/zinc/81/50/44/1429815044.db2.gz CPMAAOULKGGSGN-ZWKOTPCHSA-N 1 2 347.409 3.012 10 30 EGEELO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@](C)(F)CCCC ZINC001733810390 1430087428 /nfs/dbraw/zinc/08/74/28/1430087428.db2.gz JGUDPNVESOACSX-TZIWHRDSSA-N 1 2 344.474 3.471 10 30 EGEELO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@](C)(F)CCCC ZINC001733810390 1430087430 /nfs/dbraw/zinc/08/74/30/1430087430.db2.gz JGUDPNVESOACSX-TZIWHRDSSA-N 1 2 344.474 3.471 10 30 EGEELO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2nc(CC)no2)CC1(C)C ZINC001733874437 1437700650 /nfs/dbraw/zinc/70/06/50/1437700650.db2.gz DTGBTHHPZXNBHL-UONOGXRCSA-N 1 2 348.491 3.122 10 30 EGEELO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2nc(CC)no2)CC1(C)C ZINC001733874437 1437700651 /nfs/dbraw/zinc/70/06/51/1437700651.db2.gz DTGBTHHPZXNBHL-UONOGXRCSA-N 1 2 348.491 3.122 10 30 EGEELO CC(C)c1cnc(C[N@@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)C[C@@H]2C)o1 ZINC001733894997 1437712389 /nfs/dbraw/zinc/71/23/89/1437712389.db2.gz QTQGGRVIWNRPDU-HOTGVXAUSA-N 1 2 345.487 3.317 10 30 EGEELO CC(C)c1cnc(C[N@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)C[C@@H]2C)o1 ZINC001733894997 1437712390 /nfs/dbraw/zinc/71/23/90/1437712390.db2.gz QTQGGRVIWNRPDU-HOTGVXAUSA-N 1 2 345.487 3.317 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001734114329 1437897850 /nfs/dbraw/zinc/89/78/50/1437897850.db2.gz WMSCPZCFEDHQSZ-CQSZACIVSA-N 1 2 343.446 3.236 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@@H](C)C1C[NH+](Cc2ncoc2C(C)C)C1 ZINC001734121885 1437902118 /nfs/dbraw/zinc/90/21/18/1437902118.db2.gz LQGHKEYPESROSB-AWEZNQCLSA-N 1 2 333.476 3.337 10 30 EGEELO C=CCCCC(=O)N1CC[C@]2(C1)C[N@H+](Cc1csc(C)c1)CCO2 ZINC001734139470 1437909482 /nfs/dbraw/zinc/90/94/82/1437909482.db2.gz FMHPXKYCTXMWCH-LJQANCHMSA-N 1 2 348.512 3.216 10 30 EGEELO C=CCCCC(=O)N1CC[C@]2(C1)C[N@@H+](Cc1csc(C)c1)CCO2 ZINC001734139470 1437909485 /nfs/dbraw/zinc/90/94/85/1437909485.db2.gz FMHPXKYCTXMWCH-LJQANCHMSA-N 1 2 348.512 3.216 10 30 EGEELO CCCC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)[C@H]1C ZINC001734460545 1438117200 /nfs/dbraw/zinc/11/72/00/1438117200.db2.gz LRGJJDVCJYEQIM-MAUKXSAKSA-N 1 2 332.875 3.461 10 30 EGEELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)[C@H]1C ZINC001734460545 1438117202 /nfs/dbraw/zinc/11/72/02/1438117202.db2.gz LRGJJDVCJYEQIM-MAUKXSAKSA-N 1 2 332.875 3.461 10 30 EGEELO C=C(C)CC[NH+]1CCC(C2(NC(=O)C(F)C(F)(F)F)CC2)CC1 ZINC001734605287 1438185323 /nfs/dbraw/zinc/18/53/23/1438185323.db2.gz JYCWSBDSEMAAQC-ZDUSSCGKSA-N 1 2 336.373 3.214 10 30 EGEELO C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@H](F)C(F)(F)F)CC2)CC1 ZINC001734605287 1438185325 /nfs/dbraw/zinc/18/53/25/1438185325.db2.gz JYCWSBDSEMAAQC-ZDUSSCGKSA-N 1 2 336.373 3.214 10 30 EGEELO C#CCCCCC(=O)NCC1=CC[N@H+](Cc2nc(C)sc2C)CC1 ZINC001734623163 1438189744 /nfs/dbraw/zinc/18/97/44/1438189744.db2.gz CZWDCBANVCYUTN-UHFFFAOYSA-N 1 2 345.512 3.202 10 30 EGEELO C#CCCCCC(=O)NCC1=CC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC001734623163 1438189745 /nfs/dbraw/zinc/18/97/45/1438189745.db2.gz CZWDCBANVCYUTN-UHFFFAOYSA-N 1 2 345.512 3.202 10 30 EGEELO C#C[C@@H](C)N(C)c1nnc(C(C)C)n1CCCc1cccc(C)[nH+]1 ZINC001748639707 1440089492 /nfs/dbraw/zinc/08/94/92/1440089492.db2.gz KYFUSACNYRKAOL-MRXNPFEDSA-N 1 2 325.460 3.196 10 30 EGEELO C=CCN(C)c1nnc(C2CCC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001749488513 1440099644 /nfs/dbraw/zinc/09/96/44/1440099644.db2.gz XEZDQWYYZXCMTD-MRXNPFEDSA-N 1 2 340.475 3.250 10 30 EGEELO C=C(C)CCC(=O)N(C)CCC[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC001772541290 1441416871 /nfs/dbraw/zinc/41/68/71/1441416871.db2.gz PMCKVAKNSZDAOB-UHFFFAOYSA-N 1 2 336.480 3.004 10 30 EGEELO C=C(C)CCC(=O)N(C)CCC[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC001772541290 1441416872 /nfs/dbraw/zinc/41/68/72/1441416872.db2.gz PMCKVAKNSZDAOB-UHFFFAOYSA-N 1 2 336.480 3.004 10 30 EGEELO COc1cc(F)ccc1N1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000192027982 153236835 /nfs/dbraw/zinc/23/68/35/153236835.db2.gz ZSSGBWJFZRYVEJ-UHFFFAOYSA-N 1 2 343.377 3.167 10 30 EGEELO C[N@H+](Cc1ccc(C#N)o1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000093359923 162005511 /nfs/dbraw/zinc/00/55/11/162005511.db2.gz ABCFZJQRTNGFKE-INIZCTEOSA-N 1 2 329.787 3.042 10 30 EGEELO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000093359923 162005514 /nfs/dbraw/zinc/00/55/14/162005514.db2.gz ABCFZJQRTNGFKE-INIZCTEOSA-N 1 2 329.787 3.042 10 30 EGEELO N#Cc1csc(C[N@H+]2CCCN(c3ccccc3Cl)CC2)n1 ZINC000419272556 270048273 /nfs/dbraw/zinc/04/82/73/270048273.db2.gz GUWPYJZCCXRYRG-UHFFFAOYSA-N 1 2 332.860 3.380 10 30 EGEELO N#Cc1csc(C[N@@H+]2CCCN(c3ccccc3Cl)CC2)n1 ZINC000419272556 270048274 /nfs/dbraw/zinc/04/82/74/270048274.db2.gz GUWPYJZCCXRYRG-UHFFFAOYSA-N 1 2 332.860 3.380 10 30 EGEELO CC[N@@H+]1CC[C@@H](Nc2cnc(C#N)cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302429357 266155667 /nfs/dbraw/zinc/15/56/67/266155667.db2.gz PHQJORLEZXGEKT-RHSMWYFYSA-N 1 2 347.344 3.013 10 30 EGEELO CC[N@H+]1CC[C@@H](Nc2cnc(C#N)cn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302429357 266155670 /nfs/dbraw/zinc/15/56/70/266155670.db2.gz PHQJORLEZXGEKT-RHSMWYFYSA-N 1 2 347.344 3.013 10 30 EGEELO CCn1cc[nH+]c1[C@H]1CCCCN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459442033 267258938 /nfs/dbraw/zinc/25/89/38/267258938.db2.gz LTQQQIBGVFUZMS-QGZVFWFLSA-N 1 2 339.399 3.410 10 30 EGEELO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000459356631 267312037 /nfs/dbraw/zinc/31/20/37/267312037.db2.gz OGYDTPWKONHYDR-QGZVFWFLSA-N 1 2 325.368 3.022 10 30 EGEELO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000459356631 267312040 /nfs/dbraw/zinc/31/20/40/267312040.db2.gz OGYDTPWKONHYDR-QGZVFWFLSA-N 1 2 325.368 3.022 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000459456764 268290319 /nfs/dbraw/zinc/29/03/19/268290319.db2.gz PMUOSVCSYZNFGK-UHFFFAOYSA-N 1 2 340.358 3.322 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000459536997 268290744 /nfs/dbraw/zinc/29/07/44/268290744.db2.gz QZUKDCADSRHNSZ-HXUWFJFHSA-N 1 2 349.390 3.436 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000459536997 268290747 /nfs/dbraw/zinc/29/07/47/268290747.db2.gz QZUKDCADSRHNSZ-HXUWFJFHSA-N 1 2 349.390 3.436 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000459400251 268290808 /nfs/dbraw/zinc/29/08/08/268290808.db2.gz BZVLZHDBKXXELK-HNNXBMFYSA-N 1 2 337.379 3.367 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000459400251 268290812 /nfs/dbraw/zinc/29/08/12/268290812.db2.gz BZVLZHDBKXXELK-HNNXBMFYSA-N 1 2 337.379 3.367 10 30 EGEELO CC1(C)CC(=O)C2=C(C1)O[C@H]([NH3+])[C@@H](C#N)[C@@H]2c1c[nH]c2ccccc21 ZINC000100485488 278184415 /nfs/dbraw/zinc/18/44/15/278184415.db2.gz INLAYVFBQSTZBG-WILYLXEWSA-N 1 2 335.407 3.349 10 30 EGEELO Cn1cnnc1[C@@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000156938830 279394070 /nfs/dbraw/zinc/39/40/70/279394070.db2.gz BOVYKJOWSKCPJW-HNNXBMFYSA-N 1 2 334.345 3.023 10 30 EGEELO Cn1cnnc1[C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000156938830 279394073 /nfs/dbraw/zinc/39/40/73/279394073.db2.gz BOVYKJOWSKCPJW-HNNXBMFYSA-N 1 2 334.345 3.023 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000563627022 316049077 /nfs/dbraw/zinc/04/90/77/316049077.db2.gz WXBDBRIDCGDNFI-CYBMUJFWSA-N 1 2 343.305 3.010 10 30 EGEELO N#Cc1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000563627022 316049080 /nfs/dbraw/zinc/04/90/80/316049080.db2.gz WXBDBRIDCGDNFI-CYBMUJFWSA-N 1 2 343.305 3.010 10 30 EGEELO C[N@H+](Cc1cscn1)Cc1cccc(Nc2cc(C#N)ncn2)c1 ZINC000565988372 316398012 /nfs/dbraw/zinc/39/80/12/316398012.db2.gz WEOQDLFJZHTZDP-UHFFFAOYSA-N 1 2 336.424 3.180 10 30 EGEELO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2cc(C#N)ncn2)c1 ZINC000565988372 316398016 /nfs/dbraw/zinc/39/80/16/316398016.db2.gz WEOQDLFJZHTZDP-UHFFFAOYSA-N 1 2 336.424 3.180 10 30 EGEELO C=CCN(CCc1ccccc1)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000173459537 455286674 /nfs/dbraw/zinc/28/66/74/455286674.db2.gz SKQBOSSJSKTRMU-UHFFFAOYSA-N 1 2 340.471 3.479 10 30 EGEELO C=CCSc1nnc(N[NH+]=Cc2ccc(N(CC)CC)cc2)[nH]1 ZINC000005927842 452909565 /nfs/dbraw/zinc/90/95/65/452909565.db2.gz NHIKBVZBGHDIAG-SFQUDFHCSA-N 1 2 330.461 3.375 10 30 EGEELO C[N@H+](CC(=O)NC1(C#N)CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000008120175 453163452 /nfs/dbraw/zinc/16/34/52/453163452.db2.gz QRCVGSSOXZAHAV-UHFFFAOYSA-N 1 2 340.254 3.378 10 30 EGEELO C[N@@H+](CC(=O)NC1(C#N)CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000008120175 453163463 /nfs/dbraw/zinc/16/34/63/453163463.db2.gz QRCVGSSOXZAHAV-UHFFFAOYSA-N 1 2 340.254 3.378 10 30 EGEELO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000620305211 460607995 /nfs/dbraw/zinc/60/79/95/460607995.db2.gz AMFLMUZSWFTCCW-KDURUIRLSA-N 1 2 348.450 3.142 10 30 EGEELO C[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000245795521 455379865 /nfs/dbraw/zinc/37/98/65/455379865.db2.gz JGCUCEYTNXFLSN-DNVCBOLYSA-N 1 2 340.448 3.025 10 30 EGEELO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000245795521 455379867 /nfs/dbraw/zinc/37/98/67/455379867.db2.gz JGCUCEYTNXFLSN-DNVCBOLYSA-N 1 2 340.448 3.025 10 30 EGEELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cn3ccccc3c1C#N)C2 ZINC000069625057 454126377 /nfs/dbraw/zinc/12/63/77/454126377.db2.gz WKSFWXRYZCDMQV-UHFFFAOYSA-N 1 2 333.439 3.226 10 30 EGEELO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000130175155 454178615 /nfs/dbraw/zinc/17/86/15/454178615.db2.gz XPARJJJMYAJGMJ-GFCCVEGCSA-N 1 2 331.466 3.200 10 30 EGEELO CCc1[nH+]c2ccccc2n1CC(=O)N(C)c1ccc(C#N)cc1F ZINC000058367638 454194156 /nfs/dbraw/zinc/19/41/56/454194156.db2.gz QXEGMWCTSCCCOG-UHFFFAOYSA-N 1 2 336.370 3.272 10 30 EGEELO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000072691036 454328408 /nfs/dbraw/zinc/32/84/08/454328408.db2.gz XJUYRXYAFMWINH-CQSZACIVSA-N 1 2 333.398 3.049 10 30 EGEELO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000072691036 454328412 /nfs/dbraw/zinc/32/84/12/454328412.db2.gz XJUYRXYAFMWINH-CQSZACIVSA-N 1 2 333.398 3.049 10 30 EGEELO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000092831491 454643088 /nfs/dbraw/zinc/64/30/88/454643088.db2.gz YMIRWCFIJBTVPV-CJNGLKHVSA-N 1 2 329.425 3.007 10 30 EGEELO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000092831491 454643093 /nfs/dbraw/zinc/64/30/93/454643093.db2.gz YMIRWCFIJBTVPV-CJNGLKHVSA-N 1 2 329.425 3.007 10 30 EGEELO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)n2c1 ZINC000093872260 454742585 /nfs/dbraw/zinc/74/25/85/454742585.db2.gz XWCLSDZDFZPEJX-PMACEKPBSA-N 1 2 341.418 3.478 10 30 EGEELO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)n2c1 ZINC000093872260 454742588 /nfs/dbraw/zinc/74/25/88/454742588.db2.gz XWCLSDZDFZPEJX-PMACEKPBSA-N 1 2 341.418 3.478 10 30 EGEELO N#Cc1ccc2ncc(C[NH2+]Cc3csc(-c4ccco4)n3)n2c1 ZINC000124873810 454778174 /nfs/dbraw/zinc/77/81/74/454778174.db2.gz VFJZYYCBTIDTOX-UHFFFAOYSA-N 1 2 335.392 3.212 10 30 EGEELO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126406772 454891531 /nfs/dbraw/zinc/89/15/31/454891531.db2.gz CXJBTDAIHXAUOU-QGZVFWFLSA-N 1 2 341.436 3.022 10 30 EGEELO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126406772 454891533 /nfs/dbraw/zinc/89/15/33/454891533.db2.gz CXJBTDAIHXAUOU-QGZVFWFLSA-N 1 2 341.436 3.022 10 30 EGEELO C#CCOc1ccc(C[NH2+][C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000113334718 454923120 /nfs/dbraw/zinc/92/31/20/454923120.db2.gz PUWPESJEJJFSQF-IBGZPJMESA-N 1 2 332.407 3.004 10 30 EGEELO N#Cc1ccc2ncc(C[N@@H+]3CCSC[C@@H]3c3ccccc3)n2c1 ZINC000128369805 455049800 /nfs/dbraw/zinc/04/98/00/455049800.db2.gz WKJXZLPMNMBDMQ-GOSISDBHSA-N 1 2 334.448 3.496 10 30 EGEELO N#Cc1ccc2ncc(C[N@H+]3CCSC[C@@H]3c3ccccc3)n2c1 ZINC000128369805 455049805 /nfs/dbraw/zinc/04/98/05/455049805.db2.gz WKJXZLPMNMBDMQ-GOSISDBHSA-N 1 2 334.448 3.496 10 30 EGEELO Cc1cccc2[nH+]c(CNC(=O)c3ccc(C4(C#N)CC4)cc3)cn21 ZINC000180364734 455161439 /nfs/dbraw/zinc/16/14/39/455161439.db2.gz WOQRJNIJRHTXEW-UHFFFAOYSA-N 1 2 330.391 3.128 10 30 EGEELO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000174529236 455400993 /nfs/dbraw/zinc/40/09/93/455400993.db2.gz AFQWBLOATJNAAP-UHFFFAOYSA-N 1 2 331.807 3.386 10 30 EGEELO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(Cl)cc1 ZINC000245933468 455402481 /nfs/dbraw/zinc/40/24/81/455402481.db2.gz VEORSTNFGZHBQH-GDBMZVCRSA-N 1 2 345.855 3.448 10 30 EGEELO C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(Cl)cc1 ZINC000245933468 455402485 /nfs/dbraw/zinc/40/24/85/455402485.db2.gz VEORSTNFGZHBQH-GDBMZVCRSA-N 1 2 345.855 3.448 10 30 EGEELO C=CCOc1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266975220 455486938 /nfs/dbraw/zinc/48/69/38/455486938.db2.gz QFNFVBBWMTUQCI-UHFFFAOYSA-N 1 2 326.400 3.386 10 30 EGEELO C=CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000279050868 455856830 /nfs/dbraw/zinc/85/68/30/455856830.db2.gz BCBFITXDPYUXAN-OAHLLOKOSA-N 1 2 332.835 3.428 10 30 EGEELO C#CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000270171784 455894179 /nfs/dbraw/zinc/89/41/79/455894179.db2.gz BRSOZDHMOFRRFB-NZSAHSFTSA-N 1 2 336.439 3.240 10 30 EGEELO Cc1cc(C#N)ccc1C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352784751 456304950 /nfs/dbraw/zinc/30/49/50/456304950.db2.gz WILZDEZLZNPHCH-GOSISDBHSA-N 1 2 330.391 3.451 10 30 EGEELO Cc1c([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cnn1-c1ccc(F)cc1 ZINC000352838018 456352862 /nfs/dbraw/zinc/35/28/62/456352862.db2.gz DEEQNLLIPWRWEE-LLVKDONJSA-N 1 2 341.415 3.499 10 30 EGEELO CCOc1cc(C[NH2+]Cc2nc(C#N)cs2)ccc1OC(F)F ZINC000352843331 456357415 /nfs/dbraw/zinc/35/74/15/456357415.db2.gz YXIJADWOAAHLRR-UHFFFAOYSA-N 1 2 339.367 3.305 10 30 EGEELO Cc1ccc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)nc1C#N ZINC000302689047 456375055 /nfs/dbraw/zinc/37/50/55/456375055.db2.gz ZBHLJDMMWPMZIT-CQSZACIVSA-N 1 2 342.393 3.423 10 30 EGEELO COc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000343371761 456568287 /nfs/dbraw/zinc/56/82/87/456568287.db2.gz QODBCKUEWGWCQC-MAUKXSAKSA-N 1 2 344.361 3.153 10 30 EGEELO COc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000343371761 456568292 /nfs/dbraw/zinc/56/82/92/456568292.db2.gz QODBCKUEWGWCQC-MAUKXSAKSA-N 1 2 344.361 3.153 10 30 EGEELO Cc1[nH+]c2ccccc2n1CCNc1cc(C#N)c2ccccc2n1 ZINC000340736023 456658632 /nfs/dbraw/zinc/65/86/32/456658632.db2.gz FPWGNCOITGQZEM-UHFFFAOYSA-N 1 2 327.391 3.299 10 30 EGEELO C[C@@H]1CCC[C@H](OCC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000328623696 456721730 /nfs/dbraw/zinc/72/17/30/456721730.db2.gz JHLKUKRFZAZTFQ-PNBKFKSVSA-N 1 2 335.448 3.192 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+][C@H](C)Cc1cccs1)CCC2 ZINC000328659187 456730677 /nfs/dbraw/zinc/73/06/77/456730677.db2.gz SGSCUKLUGWZXPJ-OCCSQVGLSA-N 1 2 332.473 3.265 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N[C@H](C)Cc1cccs1)CCC2 ZINC000328659187 456730683 /nfs/dbraw/zinc/73/06/83/456730683.db2.gz SGSCUKLUGWZXPJ-OCCSQVGLSA-N 1 2 332.473 3.265 10 30 EGEELO C[C@@H](C#N)C[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C1CC1 ZINC000338376142 456787750 /nfs/dbraw/zinc/78/77/50/456787750.db2.gz LLCDKBBQXMMDJV-HNNXBMFYSA-N 1 2 337.423 3.334 10 30 EGEELO C[C@@H](C#N)C[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C1CC1 ZINC000338376142 456787754 /nfs/dbraw/zinc/78/77/54/456787754.db2.gz LLCDKBBQXMMDJV-HNNXBMFYSA-N 1 2 337.423 3.334 10 30 EGEELO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cscc1C#N ZINC000340976541 456795004 /nfs/dbraw/zinc/79/50/04/456795004.db2.gz TULVVYVLFBBTHO-UHFFFAOYSA-N 1 2 336.420 3.137 10 30 EGEELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H](CCO)C1CCCCC1 ZINC000328963657 456801605 /nfs/dbraw/zinc/80/16/05/456801605.db2.gz LNECGAGGQAAZJQ-NXHRZFHOSA-N 1 2 345.487 3.442 10 30 EGEELO C[C@@H]1C[C@H](C)CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329340233 456875294 /nfs/dbraw/zinc/87/52/94/456875294.db2.gz ODPKIHQLASJOHT-INMHGKMJSA-N 1 2 348.491 3.170 10 30 EGEELO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc(C)c(C#N)n2)cc1 ZINC000344985328 456886972 /nfs/dbraw/zinc/88/69/72/456886972.db2.gz PEKVXFCZPQXCND-LJQANCHMSA-N 1 2 336.439 3.056 10 30 EGEELO O=C(NCc1cn2c([nH+]1)CCCC2)N(C[C@H]1CCCO1)C1CCCC1 ZINC000330199497 457001339 /nfs/dbraw/zinc/00/13/39/457001339.db2.gz VNIKAXCHUNYQMY-QGZVFWFLSA-N 1 2 346.475 3.057 10 30 EGEELO C=CC[C@H](CO)NC(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000349834226 457070360 /nfs/dbraw/zinc/07/03/60/457070360.db2.gz MYFLZCXXXWQEPQ-QGZVFWFLSA-N 1 2 342.443 3.409 10 30 EGEELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000342379778 457268298 /nfs/dbraw/zinc/26/82/98/457268298.db2.gz RUXXZEXXXUMCLY-ZDUSSCGKSA-N 1 2 343.427 3.278 10 30 EGEELO N#Cc1cccc(N2CC[NH+](Cc3cccc(Cl)c3F)CC2)n1 ZINC000355456794 457376389 /nfs/dbraw/zinc/37/63/89/457376389.db2.gz OQOUBUQXPYEZAN-UHFFFAOYSA-N 1 2 330.794 3.068 10 30 EGEELO N#Cc1csc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)n1 ZINC000356209060 457534831 /nfs/dbraw/zinc/53/48/31/457534831.db2.gz 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N#C[C@]1(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC12CCCC2 ZINC000556119459 458930588 /nfs/dbraw/zinc/93/05/88/458930588.db2.gz VWMADGINGTWPCW-KRWDZBQOSA-N 1 2 328.803 3.078 10 30 EGEELO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000566837950 459007666 /nfs/dbraw/zinc/00/76/66/459007666.db2.gz QGPBLKSIDICFGI-MRXNPFEDSA-N 1 2 331.847 3.429 10 30 EGEELO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000566837950 459007675 /nfs/dbraw/zinc/00/76/75/459007675.db2.gz QGPBLKSIDICFGI-MRXNPFEDSA-N 1 2 331.847 3.429 10 30 EGEELO N#CCC[N@@H+](CCc1ccc2c(c1)OC(F)(F)O2)Cc1ccccn1 ZINC000595342557 459281511 /nfs/dbraw/zinc/28/15/11/459281511.db2.gz NBIOEUMLKUKWHU-UHFFFAOYSA-N 1 2 345.349 3.361 10 30 EGEELO N#CCC[N@H+](CCc1ccc2c(c1)OC(F)(F)O2)Cc1ccccn1 ZINC000595342557 459281515 /nfs/dbraw/zinc/28/15/15/459281515.db2.gz NBIOEUMLKUKWHU-UHFFFAOYSA-N 1 2 345.349 3.361 10 30 EGEELO C[C@@]1(C2CC2)C[N@H+](Cc2cc(C#N)ccc2Br)CCO1 ZINC000595625367 459374114 /nfs/dbraw/zinc/37/41/14/459374114.db2.gz 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FFRLMLDZCFUHFK-WOJBJXKFSA-N 1 2 344.503 3.106 10 30 EGEELO C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)C(F)C(F)(F)F)cc1 ZINC001700094052 1413508466 /nfs/dbraw/zinc/50/84/66/1413508466.db2.gz FQQHUTSVFJFKAL-RISCZKNCSA-N 1 2 332.341 3.430 10 30 EGEELO C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](F)C(F)(F)F)cc1 ZINC001700094052 1413508471 /nfs/dbraw/zinc/50/84/71/1413508471.db2.gz FQQHUTSVFJFKAL-RISCZKNCSA-N 1 2 332.341 3.430 10 30 EGEELO C=CCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001700113239 1413531902 /nfs/dbraw/zinc/53/19/02/1413531902.db2.gz NMEWDYDOUKNUBX-FDYSRKEFSA-N 1 2 334.504 3.130 10 30 EGEELO C=CCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001700113239 1413531905 /nfs/dbraw/zinc/53/19/05/1413531905.db2.gz NMEWDYDOUKNUBX-FDYSRKEFSA-N 1 2 334.504 3.130 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)CC1 ZINC001700179754 1413591987 /nfs/dbraw/zinc/59/19/87/1413591987.db2.gz UFDMJJLEJQNZLX-OAHLLOKOSA-N 1 2 346.475 3.020 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)CC1 ZINC001700179754 1413591992 /nfs/dbraw/zinc/59/19/92/1413591992.db2.gz UFDMJJLEJQNZLX-OAHLLOKOSA-N 1 2 346.475 3.020 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@H]1CCC2(C[NH+](Cc3csc(C)c3)C2)O1 ZINC001700203972 1413649340 /nfs/dbraw/zinc/64/93/40/1413649340.db2.gz ACZJWMYEJWYAOA-MRXNPFEDSA-N 1 2 348.512 3.118 10 30 EGEELO CCCC(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1CC#Cc1ccccc1 ZINC001700224599 1413674827 /nfs/dbraw/zinc/67/48/27/1413674827.db2.gz WGAYQTSPVKOEPC-JOCHJYFZSA-N 1 2 346.474 3.381 10 30 EGEELO CCCC(=O)NC[C@H]1Cc2ccccc2C[N@H+]1CC#Cc1ccccc1 ZINC001700224599 1413674832 /nfs/dbraw/zinc/67/48/32/1413674832.db2.gz WGAYQTSPVKOEPC-JOCHJYFZSA-N 1 2 346.474 3.381 10 30 EGEELO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H](C)c3cccc(OC)c3)cc2C1 ZINC001700253096 1413701720 /nfs/dbraw/zinc/70/17/20/1413701720.db2.gz WSQUIFRJWOCIJL-MRXNPFEDSA-N 1 2 348.446 3.064 10 30 EGEELO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)c3cccc(OC)c3)cc2C1 ZINC001700253096 1413701723 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1417170155 /nfs/dbraw/zinc/17/01/55/1417170155.db2.gz YXIQFSDJODDVJR-SJORKVTESA-N 1 2 342.487 3.125 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001707259941 1417269900 /nfs/dbraw/zinc/26/99/00/1417269900.db2.gz HDZJNFCNFHNJGX-NUJGCVRESA-N 1 2 332.492 3.145 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001707259941 1417269903 /nfs/dbraw/zinc/26/99/03/1417269903.db2.gz HDZJNFCNFHNJGX-NUJGCVRESA-N 1 2 332.492 3.145 10 30 EGEELO C=C1CCC(C(=O)NCCC[N@@H+](C)Cc2coc(C3CC3)n2)CC1 ZINC001707402781 1417315345 /nfs/dbraw/zinc/31/53/45/1417315345.db2.gz RRJCWXVBMYXONN-UHFFFAOYSA-N 1 2 331.460 3.237 10 30 EGEELO C=C1CCC(C(=O)NCCC[N@H+](C)Cc2coc(C3CC3)n2)CC1 ZINC001707402781 1417315349 /nfs/dbraw/zinc/31/53/49/1417315349.db2.gz RRJCWXVBMYXONN-UHFFFAOYSA-N 1 2 331.460 3.237 10 30 EGEELO C=C(Br)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001707415600 1417324080 /nfs/dbraw/zinc/32/40/80/1417324080.db2.gz WKMZGCFHWAPXHR-HUUCEWRRSA-N 1 2 343.309 3.159 10 30 EGEELO C=C(Br)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001707415600 1417324084 /nfs/dbraw/zinc/32/40/84/1417324084.db2.gz WKMZGCFHWAPXHR-HUUCEWRRSA-N 1 2 343.309 3.159 10 30 EGEELO C[C@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001733053939 1429194768 /nfs/dbraw/zinc/19/47/68/1429194768.db2.gz VOBDHRMICOZIDN-CABCVRRESA-N 1 2 345.462 3.460 10 30 EGEELO C[C@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001733053939 1429194772 /nfs/dbraw/zinc/19/47/72/1429194772.db2.gz VOBDHRMICOZIDN-CABCVRRESA-N 1 2 345.462 3.460 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)C1CC[NH+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001713056232 1417609123 /nfs/dbraw/zinc/60/91/23/1417609123.db2.gz TWRIQBHJBKVBTM-LIRRHRJNSA-N 1 2 348.491 3.218 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)CCCCC1 ZINC001713089028 1417636159 /nfs/dbraw/zinc/63/61/59/1417636159.db2.gz ACJOPMVCBCNWST-GOSISDBHSA-N 1 2 345.462 3.438 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)cn3)C2)CCCCC1 ZINC001713089028 1417636162 /nfs/dbraw/zinc/63/61/62/1417636162.db2.gz ACJOPMVCBCNWST-GOSISDBHSA-N 1 2 345.462 3.438 10 30 EGEELO C#CCCCC(=O)N(CCC)C1CC[NH+](Cc2nccs2)CC1 ZINC001713099312 1417650108 /nfs/dbraw/zinc/65/01/08/1417650108.db2.gz LLCPZESRVUANCY-UHFFFAOYSA-N 1 2 333.501 3.150 10 30 EGEELO C=CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc2c(o1)CCCC2 ZINC001713255371 1417852374 /nfs/dbraw/zinc/85/23/74/1417852374.db2.gz KOQYRYZMMHATBB-INIZCTEOSA-N 1 2 345.487 3.380 10 30 EGEELO C=CCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc2c(o1)CCCC2 ZINC001713255371 1417852376 /nfs/dbraw/zinc/85/23/76/1417852376.db2.gz KOQYRYZMMHATBB-INIZCTEOSA-N 1 2 345.487 3.380 10 30 EGEELO C[C@H]1CCC[C@@H]1CC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001713453840 1418102365 /nfs/dbraw/zinc/10/23/65/1418102365.db2.gz RFOQIGIKBWEZAV-GOEBONIOSA-N 1 2 331.435 3.072 10 30 EGEELO C[C@H]1CCC[C@@H]1CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001713453840 1418102371 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C=C1CC(C)(C(=O)NC[C@]2(C)CCC[N@H+](Cc3cscn3)C2)C1 ZINC001716899243 1421028860 /nfs/dbraw/zinc/02/88/60/1421028860.db2.gz KPMBJVROLVNQTA-KRWDZBQOSA-N 1 2 333.501 3.218 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@]2(C)CCC[N@@H+](Cc3cscn3)C2)C1 ZINC001716899243 1421028862 /nfs/dbraw/zinc/02/88/62/1421028862.db2.gz KPMBJVROLVNQTA-KRWDZBQOSA-N 1 2 333.501 3.218 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(CCC)no2)CC1 ZINC001717198429 1421165716 /nfs/dbraw/zinc/16/57/16/1421165716.db2.gz ROYQJOJKTAXYEC-HZPDHXFCSA-N 1 2 348.491 3.095 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@H+](Cc2nc(CCC)no2)CC1 ZINC001717198429 1421165717 /nfs/dbraw/zinc/16/57/17/1421165717.db2.gz ROYQJOJKTAXYEC-HZPDHXFCSA-N 1 2 348.491 3.095 10 30 EGEELO C=CCC1(C(=O)N(C)CCC[N@H+](C)Cc2nc(C)no2)CCCCC1 ZINC001717215260 1421192581 /nfs/dbraw/zinc/19/25/81/1421192581.db2.gz DKHVGYUNXVYIGP-UHFFFAOYSA-N 1 2 348.491 3.185 10 30 EGEELO C=CCC1(C(=O)N(C)CCC[N@@H+](C)Cc2nc(C)no2)CCCCC1 ZINC001717215260 1421192583 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1 2 348.491 3.266 10 30 EGEELO C=CCC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1nc(C2CCCC2)no1 ZINC001734341816 1438062363 /nfs/dbraw/zinc/06/23/63/1438062363.db2.gz HDTATLYBYNKLEP-AWEZNQCLSA-N 1 2 348.491 3.266 10 30 EGEELO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)[C@@H]1C ZINC001734397098 1438081349 /nfs/dbraw/zinc/08/13/49/1438081349.db2.gz YCEQPHHSWGDVGX-DZGCQCFKSA-N 1 2 346.475 3.018 10 30 EGEELO C=CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)[C@H]1C ZINC001734462647 1438119138 /nfs/dbraw/zinc/11/91/38/1438119138.db2.gz TWLRKTYIVTZXFJ-JKSUJKDBSA-N 1 2 345.487 3.379 10 30 EGEELO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)[C@H]1C ZINC001734462647 1438119139 /nfs/dbraw/zinc/11/91/39/1438119139.db2.gz TWLRKTYIVTZXFJ-JKSUJKDBSA-N 1 2 345.487 3.379 10 30 EGEELO CC(C)N(CC[N@H+](C)Cc1cc(F)ccc1C#N)C(=O)CCCF ZINC001734551702 1438149574 /nfs/dbraw/zinc/14/95/74/1438149574.db2.gz IMURTPLUZCCTCF-UHFFFAOYSA-N 1 2 337.414 3.116 10 30 EGEELO CC(C)N(CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(=O)CCCF ZINC001734551702 1438149576 /nfs/dbraw/zinc/14/95/76/1438149576.db2.gz IMURTPLUZCCTCF-UHFFFAOYSA-N 1 2 337.414 3.116 10 30 EGEELO C=C[C@H](CC)CC(=O)NC/C=C\CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001747314291 1439986099 /nfs/dbraw/zinc/98/60/99/1439986099.db2.gz XTWADQCJNJIAPM-XZVRFQMRSA-N 1 2 343.471 3.011 10 30 EGEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[C@H](C)CC(C)(C)C)C2 ZINC001750939022 1440116049 /nfs/dbraw/zinc/11/60/49/1440116049.db2.gz JLYJEUGSLNTVDJ-AWEZNQCLSA-N 1 2 347.528 3.213 10 30 EGEELO N#Cc1ccccc1Cn1c2ccccc2[nH+]c1N1CCC(CO)CC1 ZINC000095078692 218273762 /nfs/dbraw/zinc/27/37/62/218273762.db2.gz MHRLFISKARPEDI-UHFFFAOYSA-N 1 2 346.434 3.165 10 30 EGEELO N#Cc1ccc(Cn2c3ccccc3[nH+]c2N2CCC[C@@H](CO)C2)cc1 ZINC000095078560 218273621 /nfs/dbraw/zinc/27/36/21/218273621.db2.gz RBUZIBMXDLTGDD-GOSISDBHSA-N 1 2 346.434 3.165 10 30 EGEELO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c(F)c1 ZINC000121410876 152348959 /nfs/dbraw/zinc/34/89/59/152348959.db2.gz JZFKWMPDUASESD-KBXCAEBGSA-N 1 2 332.325 3.283 10 30 EGEELO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c(F)c1 ZINC000121410876 152348962 /nfs/dbraw/zinc/34/89/62/152348962.db2.gz JZFKWMPDUASESD-KBXCAEBGSA-N 1 2 332.325 3.283 10 30 EGEELO Cc1sc2nc(C[N@H+](C)Cc3cccc(C#N)c3)nc(N)c2c1C ZINC000324794676 154175829 /nfs/dbraw/zinc/17/58/29/154175829.db2.gz MXBJCTGZHPORMI-UHFFFAOYSA-N 1 2 337.452 3.394 10 30 EGEELO Cc1sc2nc(C[N@@H+](C)Cc3cccc(C#N)c3)nc(N)c2c1C ZINC000324794676 154175832 /nfs/dbraw/zinc/17/58/32/154175832.db2.gz MXBJCTGZHPORMI-UHFFFAOYSA-N 1 2 337.452 3.394 10 30 EGEELO Cc1ccccc1[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000093478393 162012912 /nfs/dbraw/zinc/01/29/12/162012912.db2.gz SVKDIJJAGJYBOE-LJQANCHMSA-N 1 2 332.407 3.088 10 30 EGEELO Cc1ccccc1[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000093478393 162012917 /nfs/dbraw/zinc/01/29/17/162012917.db2.gz SVKDIJJAGJYBOE-LJQANCHMSA-N 1 2 332.407 3.088 10 30 EGEELO Cc1ccccc1[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000093478393 162012921 /nfs/dbraw/zinc/01/29/21/162012921.db2.gz SVKDIJJAGJYBOE-LJQANCHMSA-N 1 2 332.407 3.088 10 30 EGEELO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355101344 166107202 /nfs/dbraw/zinc/10/72/02/166107202.db2.gz PFPNREFSLISYDO-AWEZNQCLSA-N 1 2 339.443 3.122 10 30 EGEELO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000367219651 168194818 /nfs/dbraw/zinc/19/48/18/168194818.db2.gz OTRZXHAMQUXRSI-MGPUTAFESA-N 1 2 337.398 3.456 10 30 EGEELO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000367219651 168194820 /nfs/dbraw/zinc/19/48/20/168194820.db2.gz OTRZXHAMQUXRSI-MGPUTAFESA-N 1 2 337.398 3.456 10 30 EGEELO COCCOc1cc(Nc2cc(C)[nH+]c(C)c2C#N)ccc1OC ZINC000301756143 270044066 /nfs/dbraw/zinc/04/40/66/270044066.db2.gz DOQJHHDDPKEEGS-UHFFFAOYSA-N 1 2 327.384 3.348 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCc3c1cccc3C#N)C2 ZINC000421974379 270048566 /nfs/dbraw/zinc/04/85/66/270048566.db2.gz UNVJTDDDAUOKJH-ZDUSSCGKSA-N 1 2 334.423 3.099 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCc3c1cccc3C#N)CC2 ZINC000421974379 270048567 /nfs/dbraw/zinc/04/85/67/270048567.db2.gz UNVJTDDDAUOKJH-ZDUSSCGKSA-N 1 2 334.423 3.099 10 30 EGEELO Cc1nc2[nH]ccc2c(N2CCC(Oc3cccc(C#N)c3)CC2)[nH+]1 ZINC000433774299 270050931 /nfs/dbraw/zinc/05/09/31/270050931.db2.gz NMXYKAOWNBSPDK-UHFFFAOYSA-N 1 2 333.395 3.186 10 30 EGEELO Cc1cc(N2CCC(C(=O)N3CCCCCC3)CC2)c(C#N)c(C)[nH+]1 ZINC000301795578 267333867 /nfs/dbraw/zinc/33/38/67/267333867.db2.gz SWQGFCCPPDCWMN-UHFFFAOYSA-N 1 2 340.471 3.189 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c(Br)c1 ZINC000411847832 268222114 /nfs/dbraw/zinc/22/21/14/268222114.db2.gz MZGYMZRTLZMDOY-MRXNPFEDSA-N 1 2 335.245 3.322 10 30 EGEELO N#Cc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c(Br)c1 ZINC000411847832 268222115 /nfs/dbraw/zinc/22/21/15/268222115.db2.gz MZGYMZRTLZMDOY-MRXNPFEDSA-N 1 2 335.245 3.322 10 30 EGEELO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(F)(c3ccccc3)CC2)cc1 ZINC000434495652 268262448 /nfs/dbraw/zinc/26/24/48/268262448.db2.gz XWNKVWUAXAGWSR-SFHVURJKSA-N 1 2 337.398 3.045 10 30 EGEELO Cc1cc(N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c(C#N)c[nH+]1 ZINC000579465628 325113863 /nfs/dbraw/zinc/11/38/63/325113863.db2.gz VHDJBOQGVLXHOR-CQSZACIVSA-N 1 2 348.328 3.333 10 30 EGEELO COC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000181655436 455368512 /nfs/dbraw/zinc/36/85/12/455368512.db2.gz PJCAXLOSYRKBAB-QGZVFWFLSA-N 1 2 334.379 3.086 10 30 EGEELO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000081318596 453859672 /nfs/dbraw/zinc/85/96/72/453859672.db2.gz HXHSTXDIAMRWPW-LJQANCHMSA-N 1 2 344.418 3.200 10 30 EGEELO C=CCOc1ccccc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119505164 454200182 /nfs/dbraw/zinc/20/01/82/454200182.db2.gz SXLVENSPUHIFQL-INIZCTEOSA-N 1 2 339.439 3.080 10 30 EGEELO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)o1 ZINC000073606162 454457851 /nfs/dbraw/zinc/45/78/51/454457851.db2.gz ZQEXKHJSHKIINW-HNNXBMFYSA-N 1 2 343.402 3.494 10 30 EGEELO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)o1 ZINC000073606162 454457856 /nfs/dbraw/zinc/45/78/56/454457856.db2.gz ZQEXKHJSHKIINW-HNNXBMFYSA-N 1 2 343.402 3.494 10 30 EGEELO C=CCCC[N@@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000121734121 454470720 /nfs/dbraw/zinc/47/07/20/454470720.db2.gz VMLMMOXFVUJFIN-ZDUSSCGKSA-N 1 2 329.213 3.013 10 30 EGEELO C=CCCC[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000121734121 454470722 /nfs/dbraw/zinc/47/07/22/454470722.db2.gz VMLMMOXFVUJFIN-ZDUSSCGKSA-N 1 2 329.213 3.013 10 30 EGEELO Cc1ccn(-c2ccccc2NCc2c[nH+]c3ccc(C#N)cn23)n1 ZINC000092139358 454528241 /nfs/dbraw/zinc/52/82/41/454528241.db2.gz SFXHDSNNVASWGP-UHFFFAOYSA-N 1 2 328.379 3.312 10 30 EGEELO Cc1cccc(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104715327 454598222 /nfs/dbraw/zinc/59/82/22/454598222.db2.gz AXAXBRAHKOEFBN-UHFFFAOYSA-N 1 2 349.434 3.349 10 30 EGEELO N#CCCCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153255023 454775423 /nfs/dbraw/zinc/77/54/23/454775423.db2.gz ILXZSQFRLSOWKO-UHFFFAOYSA-N 1 2 326.271 3.457 10 30 EGEELO N#Cc1cc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)ccc1F ZINC000176862651 454792453 /nfs/dbraw/zinc/79/24/53/454792453.db2.gz PUGWPWAAVLGDMT-UHFFFAOYSA-N 1 2 336.370 3.161 10 30 EGEELO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000125404126 454820034 /nfs/dbraw/zinc/82/00/34/454820034.db2.gz CFMSLCDMNJHIGF-QGZVFWFLSA-N 1 2 341.436 3.022 10 30 EGEELO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000125404126 454820038 /nfs/dbraw/zinc/82/00/38/454820038.db2.gz CFMSLCDMNJHIGF-QGZVFWFLSA-N 1 2 341.436 3.022 10 30 EGEELO C[C@@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccc(C#N)cc1 ZINC000127484577 454968984 /nfs/dbraw/zinc/96/89/84/454968984.db2.gz GMHXOUMLHUMTJA-GFCCVEGCSA-N 1 2 344.374 3.392 10 30 EGEELO N#Cc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c(F)c1 ZINC000170942177 455003162 /nfs/dbraw/zinc/00/31/62/455003162.db2.gz YKZUIQDIBWVYMO-UHFFFAOYSA-N 1 2 336.370 3.161 10 30 EGEELO Cn1cc([C@H]([NH2+]Cc2ccc(C#N)cc2F)c2cccc(F)c2)cn1 ZINC000180479264 455178017 /nfs/dbraw/zinc/17/80/17/455178017.db2.gz BWEWPSWQHZWPSF-LJQANCHMSA-N 1 2 338.361 3.449 10 30 EGEELO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)o2)cc1 ZINC000173451870 455285504 /nfs/dbraw/zinc/28/55/04/455285504.db2.gz WWUFXYSDOCQWGD-CYBMUJFWSA-N 1 2 336.317 3.383 10 30 EGEELO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)o2)cc1 ZINC000173451870 455285508 /nfs/dbraw/zinc/28/55/08/455285508.db2.gz WWUFXYSDOCQWGD-CYBMUJFWSA-N 1 2 336.317 3.383 10 30 EGEELO C[C@@H](NC(=O)c1cccc(CC#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173945541 455344173 /nfs/dbraw/zinc/34/41/73/455344173.db2.gz YNNQBVTVLLROAR-OAHLLOKOSA-N 1 2 330.391 3.429 10 30 EGEELO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000184019774 455347478 /nfs/dbraw/zinc/34/74/78/455347478.db2.gz YEKFJWZXQYWRIO-CJNGLKHVSA-N 1 2 329.362 3.406 10 30 EGEELO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000184019774 455347484 /nfs/dbraw/zinc/34/74/84/455347484.db2.gz YEKFJWZXQYWRIO-CJNGLKHVSA-N 1 2 329.362 3.406 10 30 EGEELO C[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175153737 455423260 /nfs/dbraw/zinc/42/32/60/455423260.db2.gz XHEBAFVCQHPMRZ-OAHLLOKOSA-N 1 2 345.406 3.304 10 30 EGEELO CCc1ccc([C@H]2CCCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000246663760 455515491 /nfs/dbraw/zinc/51/54/91/455515491.db2.gz JBTQMBOIYQFRKO-VQIMIIECSA-N 1 2 331.460 3.423 10 30 EGEELO CCc1ccc([C@H]2CCCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000246663760 455515492 /nfs/dbraw/zinc/51/54/92/455515492.db2.gz JBTQMBOIYQFRKO-VQIMIIECSA-N 1 2 331.460 3.423 10 30 EGEELO C(#Cc1ccccc1)CN1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000192080151 455553697 /nfs/dbraw/zinc/55/36/97/455553697.db2.gz FXBMXGWZWNKNIN-UHFFFAOYSA-N 1 2 347.487 3.466 10 30 EGEELO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185944292 455658900 /nfs/dbraw/zinc/65/89/00/455658900.db2.gz QMFPDUDMOONZKU-HZPDHXFCSA-N 1 2 336.838 3.390 10 30 EGEELO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185944292 455658906 /nfs/dbraw/zinc/65/89/06/455658906.db2.gz QMFPDUDMOONZKU-HZPDHXFCSA-N 1 2 336.838 3.390 10 30 EGEELO Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000186192929 455713898 /nfs/dbraw/zinc/71/38/98/455713898.db2.gz HDWMRNLRALKYFS-UHFFFAOYSA-N 1 2 347.462 3.062 10 30 EGEELO CS(=O)(=O)c1cccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000294512299 455817948 /nfs/dbraw/zinc/81/79/48/455817948.db2.gz DGHCZCXODGZCHU-UHFFFAOYSA-N 1 2 340.448 3.126 10 30 EGEELO CS(=O)(=O)c1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000294512299 455817954 /nfs/dbraw/zinc/81/79/54/455817954.db2.gz DGHCZCXODGZCHU-UHFFFAOYSA-N 1 2 340.448 3.126 10 30 EGEELO C=CCC(F)(F)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000294528188 455819662 /nfs/dbraw/zinc/81/96/62/455819662.db2.gz KOVMWBXZGCKDLT-UHFFFAOYSA-N 1 2 345.393 3.222 10 30 EGEELO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000295561986 455853183 /nfs/dbraw/zinc/85/31/83/455853183.db2.gz XZMXGXHBOCMPHA-KSSFIOAISA-N 1 2 335.398 3.285 10 30 EGEELO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@](C)(F)C1 ZINC000295561986 455853184 /nfs/dbraw/zinc/85/31/84/455853184.db2.gz XZMXGXHBOCMPHA-KSSFIOAISA-N 1 2 335.398 3.285 10 30 EGEELO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1cccc(C#N)c1)CCCC2 ZINC000279167058 455859100 /nfs/dbraw/zinc/85/91/00/455859100.db2.gz ISDPUUHYVQCNFZ-SFHVURJKSA-N 1 2 334.423 3.148 10 30 EGEELO N#Cc1c(Br)cccc1NCc1cn2c([nH+]1)CCCC2 ZINC000290628383 456387768 /nfs/dbraw/zinc/38/77/68/456387768.db2.gz MHPOAVKUDAPKHA-UHFFFAOYSA-N 1 2 331.217 3.466 10 30 EGEELO C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000623827696 460733297 /nfs/dbraw/zinc/73/32/97/460733297.db2.gz ROLRTPQAGWFAOX-JEBQAFNWSA-N 1 2 349.425 3.318 10 30 EGEELO C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000623827696 460733305 /nfs/dbraw/zinc/73/33/05/460733305.db2.gz ROLRTPQAGWFAOX-JEBQAFNWSA-N 1 2 349.425 3.318 10 30 EGEELO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000328606400 456717739 /nfs/dbraw/zinc/71/77/39/456717739.db2.gz KJJTUVCYUIPJJG-YNEHKIRRSA-N 1 2 344.381 3.385 10 30 EGEELO CCOC(=O)c1sc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)nc1C ZINC000348500099 456718853 /nfs/dbraw/zinc/71/88/53/456718853.db2.gz WVOXEGIJZVDFHJ-ZDUSSCGKSA-N 1 2 346.427 3.470 10 30 EGEELO N#Cc1ccc(NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1F ZINC000353561535 456761187 /nfs/dbraw/zinc/76/11/87/456761187.db2.gz PGJICRXZEMASAU-UHFFFAOYSA-N 1 2 343.749 3.320 10 30 EGEELO C=CC[N@@H+](CC(=O)N1CCCC[C@@H]1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000345109303 456929558 /nfs/dbraw/zinc/92/95/58/456929558.db2.gz VRUAEURXVZANLH-KRWDZBQOSA-N 1 2 345.443 3.374 10 30 EGEELO C=CC[N@H+](CC(=O)N1CCCC[C@@H]1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000345109303 456929563 /nfs/dbraw/zinc/92/95/63/456929563.db2.gz VRUAEURXVZANLH-KRWDZBQOSA-N 1 2 345.443 3.374 10 30 EGEELO Cc1nc(CC2CC2)oc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000330023674 456976354 /nfs/dbraw/zinc/97/63/54/456976354.db2.gz JBDXSAGIZJFNCZ-UHFFFAOYSA-N 1 2 340.427 3.304 10 30 EGEELO CC1CCC(C)(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000330630063 457063534 /nfs/dbraw/zinc/06/35/34/457063534.db2.gz CFXMAAAITIXSDC-UHFFFAOYSA-N 1 2 332.370 3.418 10 30 EGEELO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425439411 457553929 /nfs/dbraw/zinc/55/39/29/457553929.db2.gz AFHHVKKSUJYYQH-KRWDZBQOSA-N 1 2 332.492 3.242 10 30 EGEELO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425439411 457553931 /nfs/dbraw/zinc/55/39/31/457553931.db2.gz AFHHVKKSUJYYQH-KRWDZBQOSA-N 1 2 332.492 3.242 10 30 EGEELO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc2[nH+]ccn21 ZINC000358771873 458207622 /nfs/dbraw/zinc/20/76/22/458207622.db2.gz XYZHIVALZZWUTK-GOSISDBHSA-N 1 2 334.379 3.248 10 30 EGEELO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000413810867 458307459 /nfs/dbraw/zinc/30/74/59/458307459.db2.gz AEGIQWKXPDJFMF-GOSISDBHSA-N 1 2 338.455 3.486 10 30 EGEELO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000429375341 458324905 /nfs/dbraw/zinc/32/49/05/458324905.db2.gz BOYHDECRRSXBAX-RCDNUKIMSA-N 1 2 331.460 3.339 10 30 EGEELO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000429375341 458324910 /nfs/dbraw/zinc/32/49/10/458324910.db2.gz BOYHDECRRSXBAX-RCDNUKIMSA-N 1 2 331.460 3.339 10 30 EGEELO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000470936395 458666495 /nfs/dbraw/zinc/66/64/95/458666495.db2.gz YVULPOGJPMGLAR-CABZTGNLSA-N 1 2 345.752 3.423 10 30 EGEELO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000470936395 458666501 /nfs/dbraw/zinc/66/65/01/458666501.db2.gz YVULPOGJPMGLAR-CABZTGNLSA-N 1 2 345.752 3.423 10 30 EGEELO C=CCC1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCOCC1 ZINC000424599571 458676862 /nfs/dbraw/zinc/67/68/62/458676862.db2.gz WHZVUKZMMUXDFT-UHFFFAOYSA-N 1 2 343.471 3.061 10 30 EGEELO COC(=O)c1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000519745968 458997446 /nfs/dbraw/zinc/99/74/46/458997446.db2.gz SLKKVFKWANRNLO-HZMBPMFUSA-N 1 2 326.318 3.118 10 30 EGEELO COC(=O)c1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000519745968 458997449 /nfs/dbraw/zinc/99/74/49/458997449.db2.gz SLKKVFKWANRNLO-HZMBPMFUSA-N 1 2 326.318 3.118 10 30 EGEELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590146081 459092224 /nfs/dbraw/zinc/09/22/24/459092224.db2.gz ITESKSASXFPUSN-AWEZNQCLSA-N 1 2 331.847 3.239 10 30 EGEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590600822 459157475 /nfs/dbraw/zinc/15/74/75/459157475.db2.gz NNDRAHSHEDNFIE-MJGOQNOKSA-N 1 2 335.407 3.047 10 30 EGEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590600822 459157481 /nfs/dbraw/zinc/15/74/81/459157481.db2.gz NNDRAHSHEDNFIE-MJGOQNOKSA-N 1 2 335.407 3.047 10 30 EGEELO Cc1nc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(C)o1 ZINC000595297506 459271732 /nfs/dbraw/zinc/27/17/32/459271732.db2.gz HMUAEECRTYQMEF-UHFFFAOYSA-N 1 2 347.422 3.034 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000590953075 459280193 /nfs/dbraw/zinc/28/01/93/459280193.db2.gz PTAZYWCVECKRAM-UHFFFAOYSA-N 1 2 349.390 3.488 10 30 EGEELO C=CCOc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC000535798624 459357259 /nfs/dbraw/zinc/35/72/59/459357259.db2.gz RXVLRIKOBVSULM-CQSZACIVSA-N 1 2 328.378 3.320 10 30 EGEELO C=CCOc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC000535798624 459357267 /nfs/dbraw/zinc/35/72/67/459357267.db2.gz RXVLRIKOBVSULM-CQSZACIVSA-N 1 2 328.378 3.320 10 30 EGEELO COc1ccc(F)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000560520727 459364648 /nfs/dbraw/zinc/36/46/48/459364648.db2.gz YULAZWDVJBTOII-UHFFFAOYSA-N 1 2 325.387 3.287 10 30 EGEELO CN(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)nn1 ZINC000591625570 459415324 /nfs/dbraw/zinc/41/53/24/459415324.db2.gz RNKQCIZRQJLBHZ-KRWDZBQOSA-N 1 2 341.846 3.405 10 30 EGEELO CN(C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Cl)nn1 ZINC000591625570 459415333 /nfs/dbraw/zinc/41/53/33/459415333.db2.gz RNKQCIZRQJLBHZ-KRWDZBQOSA-N 1 2 341.846 3.405 10 30 EGEELO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H](C)C#N ZINC000595811447 459449559 /nfs/dbraw/zinc/44/95/59/459449559.db2.gz BPSWNFDJHAGIQP-LBPRGKRZSA-N 1 2 330.457 3.061 10 30 EGEELO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H](C)C#N ZINC000595811447 459449566 /nfs/dbraw/zinc/44/95/66/459449566.db2.gz BPSWNFDJHAGIQP-LBPRGKRZSA-N 1 2 330.457 3.061 10 30 EGEELO N#Cc1cnccc1C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000592120899 459528081 /nfs/dbraw/zinc/52/80/81/459528081.db2.gz JEKAHDVNMLAQHF-HNNXBMFYSA-N 1 2 344.212 3.329 10 30 EGEELO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC000584111297 459658026 /nfs/dbraw/zinc/65/80/26/459658026.db2.gz WFLPKMBGIIJSHP-AWEZNQCLSA-N 1 2 348.855 3.071 10 30 EGEELO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC000584111297 459658028 /nfs/dbraw/zinc/65/80/28/459658028.db2.gz WFLPKMBGIIJSHP-AWEZNQCLSA-N 1 2 348.855 3.071 10 30 EGEELO C=CCNC(=O)C[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000543560669 459668237 /nfs/dbraw/zinc/66/82/37/459668237.db2.gz NDNGIBZFWMNESI-UHFFFAOYSA-N 1 2 346.475 3.169 10 30 EGEELO C[C@H](CC#N)C(=O)Nc1nc2c(s1)CC[N@H+](Cc1ccccc1)C2 ZINC000596874486 459783689 /nfs/dbraw/zinc/78/36/89/459783689.db2.gz MZAJEHXFXVSYOG-CYBMUJFWSA-N 1 2 340.452 3.190 10 30 EGEELO C[C@H](CC#N)C(=O)Nc1nc2c(s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000596874486 459783692 /nfs/dbraw/zinc/78/36/92/459783692.db2.gz MZAJEHXFXVSYOG-CYBMUJFWSA-N 1 2 340.452 3.190 10 30 EGEELO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596981242 459809928 /nfs/dbraw/zinc/80/99/28/459809928.db2.gz LRDRJVBFFGFINT-QGZVFWFLSA-N 1 2 336.439 3.071 10 30 EGEELO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596981242 459809931 /nfs/dbraw/zinc/80/99/31/459809931.db2.gz LRDRJVBFFGFINT-QGZVFWFLSA-N 1 2 336.439 3.071 10 30 EGEELO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000545901129 459868423 /nfs/dbraw/zinc/86/84/23/459868423.db2.gz QRNVRIRCQSWJGC-KRWDZBQOSA-N 1 2 330.428 3.133 10 30 EGEELO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000545901129 459868426 /nfs/dbraw/zinc/86/84/26/459868426.db2.gz QRNVRIRCQSWJGC-KRWDZBQOSA-N 1 2 330.428 3.133 10 30 EGEELO N#CCc1cc[nH+]c(NCc2cc(Br)cc3c2OCC3)c1 ZINC000545929773 459874477 /nfs/dbraw/zinc/87/44/77/459874477.db2.gz HVHGIVVODCEGEO-UHFFFAOYSA-N 1 2 344.212 3.457 10 30 EGEELO CC(C)(C)C1CCC(C#N)(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000593613021 459933409 /nfs/dbraw/zinc/93/34/09/459933409.db2.gz PISQIYNLSPNNPN-UHFFFAOYSA-N 1 2 342.487 3.377 10 30 EGEELO C[C@@H]1CN(c2ccccc2C[N@@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000593699006 459955451 /nfs/dbraw/zinc/95/54/51/459955451.db2.gz YIYXPVYKOSFBDS-MRXNPFEDSA-N 1 2 333.435 3.299 10 30 EGEELO C[C@@H]1CN(c2ccccc2C[N@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000593699006 459955461 /nfs/dbraw/zinc/95/54/61/459955461.db2.gz YIYXPVYKOSFBDS-MRXNPFEDSA-N 1 2 333.435 3.299 10 30 EGEELO C[C@H]1CN(c2ccccc2C[N@@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000593698975 459956754 /nfs/dbraw/zinc/95/67/54/459956754.db2.gz YIYXPVYKOSFBDS-INIZCTEOSA-N 1 2 333.435 3.299 10 30 EGEELO C[C@H]1CN(c2ccccc2C[N@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000593698975 459956764 /nfs/dbraw/zinc/95/67/64/459956764.db2.gz YIYXPVYKOSFBDS-INIZCTEOSA-N 1 2 333.435 3.299 10 30 EGEELO N#Cc1ccsc1NC(=O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598649897 459977402 /nfs/dbraw/zinc/97/74/02/459977402.db2.gz NANONCRZPNINRI-ZDUSSCGKSA-N 1 2 327.400 3.362 10 30 EGEELO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000614116102 460019062 /nfs/dbraw/zinc/01/90/62/460019062.db2.gz NSJQAIDKBIYNJO-CQSZACIVSA-N 1 2 349.463 3.446 10 30 EGEELO CC(C)(C#N)c1ccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)cc1 ZINC000614175612 460039633 /nfs/dbraw/zinc/03/96/33/460039633.db2.gz ZOCMFBHRXLJMBR-LJQANCHMSA-N 1 2 333.435 3.161 10 30 EGEELO CC(C)(C#N)c1ccc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)cc1 ZINC000614175612 460039638 /nfs/dbraw/zinc/03/96/38/460039638.db2.gz ZOCMFBHRXLJMBR-LJQANCHMSA-N 1 2 333.435 3.161 10 30 EGEELO N#Cc1csc(C[NH+]2CCC(OCc3ccccc3F)CC2)n1 ZINC000589511041 460096977 /nfs/dbraw/zinc/09/69/77/460096977.db2.gz WXDXIINEMCSMEC-UHFFFAOYSA-N 1 2 331.416 3.335 10 30 EGEELO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000598950179 460099726 /nfs/dbraw/zinc/09/97/26/460099726.db2.gz QATRKMBSRZZYJX-HNNXBMFYSA-N 1 2 335.407 3.170 10 30 EGEELO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000598950179 460099739 /nfs/dbraw/zinc/09/97/39/460099739.db2.gz QATRKMBSRZZYJX-HNNXBMFYSA-N 1 2 335.407 3.170 10 30 EGEELO C[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(C#N)cc1F ZINC000618728675 460144653 /nfs/dbraw/zinc/14/46/53/460144653.db2.gz ZCVWQVBRBPUYDX-VIFPVBQESA-N 1 2 337.196 3.044 10 30 EGEELO CCN(C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000599153289 460179690 /nfs/dbraw/zinc/17/96/90/460179690.db2.gz UEYUXPQBLBGEIQ-MAUKXSAKSA-N 1 2 336.439 3.235 10 30 EGEELO COc1c(C)[nH+]c(C2CC2)nc1N1CCc2c(CC#N)cccc2C1 ZINC000599194974 460195641 /nfs/dbraw/zinc/19/56/41/460195641.db2.gz LADIBTFHIMXKHS-UHFFFAOYSA-N 1 2 334.423 3.300 10 30 EGEELO 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EGEELO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1ccc(F)s1 ZINC001732600460 1428848371 /nfs/dbraw/zinc/84/83/71/1428848371.db2.gz PWAXLCBYWSHTNF-UHFFFAOYSA-N 1 2 349.406 3.102 10 30 EGEELO C=CCCCC(=O)N1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001701766861 1415239690 /nfs/dbraw/zinc/23/96/90/1415239690.db2.gz HILNXUVICNEQKR-NVXWUHKLSA-N 1 2 343.471 3.082 10 30 EGEELO C=CCCCC(=O)N1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001701766862 1415239865 /nfs/dbraw/zinc/23/98/65/1415239865.db2.gz HILNXUVICNEQKR-RDJZCZTQSA-N 1 2 343.471 3.082 10 30 EGEELO C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001701999956 1415434883 /nfs/dbraw/zinc/43/48/83/1415434883.db2.gz PKGMYMLIFMBLMV-HOTGVXAUSA-N 1 2 345.487 3.376 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001704145776 1416330126 /nfs/dbraw/zinc/33/01/26/1416330126.db2.gz BAJPYZORCMAYTP-PBHICJAKSA-N 1 2 345.487 3.234 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001704888293 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329.419 3.134 10 30 EGEELO C=C[C@@H](C(=O)NCC[N@H+](Cc1cncs1)C1CC1)c1ccccc1 ZINC001713565910 1418376954 /nfs/dbraw/zinc/37/69/54/1418376954.db2.gz GMIJUXDOLGMAFD-GOSISDBHSA-N 1 2 341.480 3.194 10 30 EGEELO C=C[C@@H](C(=O)NCC[N@@H+](Cc1cncs1)C1CC1)c1ccccc1 ZINC001713565910 1418376958 /nfs/dbraw/zinc/37/69/58/1418376958.db2.gz GMIJUXDOLGMAFD-GOSISDBHSA-N 1 2 341.480 3.194 10 30 EGEELO C=C1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](Cc3cnns3)C2)CC1 ZINC001713719445 1418489912 /nfs/dbraw/zinc/48/99/12/1418489912.db2.gz AQMUXXDWGRKLHT-MRXNPFEDSA-N 1 2 348.516 3.097 10 30 EGEELO C=C1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](Cc3cnns3)C2)CC1 ZINC001713719445 1418489919 /nfs/dbraw/zinc/48/99/19/1418489919.db2.gz AQMUXXDWGRKLHT-MRXNPFEDSA-N 1 2 348.516 3.097 10 30 EGEELO C#CCCOc1ccc(C(=O)NC2C[NH+](Cc3ccc(C)cc3)C2)cc1 ZINC001713821411 1418623000 /nfs/dbraw/zinc/62/30/00/1418623000.db2.gz ITHPLQCZJXJYDJ-UHFFFAOYSA-N 1 2 348.446 3.011 10 30 EGEELO C=C(C)CCC(=O)NC1C[NH+](CCCOc2ccc(C)c(C)c2)C1 ZINC001713823992 1418624715 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C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000179942494 267002264 /nfs/dbraw/zinc/00/22/64/267002264.db2.gz MFBYEJPETXCIFM-LBPRGKRZSA-N 1 2 334.466 3.216 10 30 EGEELO Cc1cc([C@H]2C[N@H+](CCOc3cccc(C#N)c3)CCO2)ccc1F ZINC000491108852 268021613 /nfs/dbraw/zinc/02/16/13/268021613.db2.gz JBOGMYBYHVNFHE-HXUWFJFHSA-N 1 2 340.398 3.458 10 30 EGEELO Cc1cc([C@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCO2)ccc1F ZINC000491108852 268021616 /nfs/dbraw/zinc/02/16/16/268021616.db2.gz JBOGMYBYHVNFHE-HXUWFJFHSA-N 1 2 340.398 3.458 10 30 EGEELO N#Cc1cccc(CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000517065041 268272503 /nfs/dbraw/zinc/27/25/03/268272503.db2.gz FJLCHLCFOOAQGD-UHFFFAOYSA-N 1 2 348.450 3.040 10 30 EGEELO Cc1cc(C#N)ccc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000128914666 307607445 /nfs/dbraw/zinc/60/74/45/307607445.db2.gz DZLKFEHYKOGUGV-UHFFFAOYSA-N 1 2 344.418 3.236 10 30 EGEELO Cc1[nH+]c2cc(NC(=O)C3(c4ccc(C#N)cc4)CC3)ccc2n1C ZINC000548732959 315041166 /nfs/dbraw/zinc/04/11/66/315041166.db2.gz RZFGRGVVZKDQJG-UHFFFAOYSA-N 1 2 330.391 3.424 10 30 EGEELO N#Cc1ccccc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000179095851 323369176 /nfs/dbraw/zinc/36/91/76/323369176.db2.gz CFTXYZKFHSCVNC-INIZCTEOSA-N 1 2 331.213 3.144 10 30 EGEELO Cc1cc(C[NH2+][C@@H](C)c2ncc(Br)cn2)ccc1C#N ZINC000353903124 456959324 /nfs/dbraw/zinc/95/93/24/456959324.db2.gz VGDUEGREBCJXSH-NSHDSACASA-N 1 2 331.217 3.270 10 30 EGEELO N#Cc1cccc(NC(=O)C2CCN(c3cc[nH+]c(C4CC4)n3)CC2)c1 ZINC000264691414 455263160 /nfs/dbraw/zinc/26/31/60/455263160.db2.gz YQBTZIAGEXSQBG-UHFFFAOYSA-N 1 2 347.422 3.081 10 30 EGEELO C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC000069653460 454128452 /nfs/dbraw/zinc/12/84/52/454128452.db2.gz FWEHXEKDZMGWQP-HNNXBMFYSA-N 1 2 346.390 3.209 10 30 EGEELO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000057753065 454144906 /nfs/dbraw/zinc/14/49/06/454144906.db2.gz YCAGQKFBTNHJEY-ZDUSSCGKSA-N 1 2 328.366 3.115 10 30 EGEELO N#CC1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000057878633 454154040 /nfs/dbraw/zinc/15/40/40/454154040.db2.gz KVEZBMGKYHHCKS-UHFFFAOYSA-N 1 2 336.317 3.491 10 30 EGEELO C[N@@H+]1CC[C@@H](NC(=O)c2sccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000089997068 454257393 /nfs/dbraw/zinc/25/73/93/454257393.db2.gz RXWKKRKDYCTZEU-CABCVRRESA-N 1 2 345.855 3.448 10 30 EGEELO C[N@H+]1CC[C@@H](NC(=O)c2sccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000089997068 454257395 /nfs/dbraw/zinc/25/73/95/454257395.db2.gz RXWKKRKDYCTZEU-CABCVRRESA-N 1 2 345.855 3.448 10 30 EGEELO C=CCc1cc(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)cc(OC)c1O ZINC000131499246 454259312 /nfs/dbraw/zinc/25/93/12/454259312.db2.gz APBVNCXKNGVNHP-CYBMUJFWSA-N 1 2 335.444 3.291 10 30 EGEELO C=CCc1cc(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)cc(OC)c1O ZINC000131499246 454259315 /nfs/dbraw/zinc/25/93/15/454259315.db2.gz APBVNCXKNGVNHP-CYBMUJFWSA-N 1 2 335.444 3.291 10 30 EGEELO C=CCOc1ccccc1C[NH+]1CCN(Cc2c(C)noc2C)CC1 ZINC000091890630 454484801 /nfs/dbraw/zinc/48/48/01/454484801.db2.gz PWSKGFXTPNKGBY-UHFFFAOYSA-N 1 2 341.455 3.174 10 30 EGEELO C=CCOc1ccccc1CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000091890630 454484804 /nfs/dbraw/zinc/48/48/04/454484804.db2.gz PWSKGFXTPNKGBY-UHFFFAOYSA-N 1 2 341.455 3.174 10 30 EGEELO COCCCOc1ccccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092158080 454530100 /nfs/dbraw/zinc/53/01/00/454530100.db2.gz PSBZNNNUXJFVAE-UHFFFAOYSA-N 1 2 336.395 3.233 10 30 EGEELO N#C[C@H](C(=O)c1ccnc(-n2cc[nH+]c2)c1)c1nc2ccccc2s1 ZINC000122865029 454576575 /nfs/dbraw/zinc/57/65/75/454576575.db2.gz RBMAJRPSKKMJDI-CYBMUJFWSA-N 1 2 345.387 3.367 10 30 EGEELO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CCC(F)(F)F ZINC000104677674 454594762 /nfs/dbraw/zinc/59/47/62/454594762.db2.gz GSEGHJHJRBAMJN-SECBINFHSA-N 1 2 345.390 3.320 10 30 EGEELO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCC(F)(F)F ZINC000104677674 454594769 /nfs/dbraw/zinc/59/47/69/454594769.db2.gz GSEGHJHJRBAMJN-SECBINFHSA-N 1 2 345.390 3.320 10 30 EGEELO C=CCCCN(C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869941 454650005 /nfs/dbraw/zinc/65/00/05/454650005.db2.gz 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C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128990375 455093819 /nfs/dbraw/zinc/09/38/19/455093819.db2.gz OYFMAIPRZRNMGD-QFBILLFUSA-N 1 2 346.446 3.097 10 30 EGEELO Cc1ccc([C@@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CCO2)o1 ZINC000158597036 455314801 /nfs/dbraw/zinc/31/48/01/455314801.db2.gz XHPPYMJYZMOULT-IBGZPJMESA-N 1 2 326.396 3.302 10 30 EGEELO Cc1ccc([C@@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CCO2)o1 ZINC000158597036 455314806 /nfs/dbraw/zinc/31/48/06/455314806.db2.gz XHPPYMJYZMOULT-IBGZPJMESA-N 1 2 326.396 3.302 10 30 EGEELO Cc1ccc([C@@H]2C[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)CCO2)o1 ZINC000245760114 455374681 /nfs/dbraw/zinc/37/46/81/455374681.db2.gz POTBOXIPFQIVQS-BEFAXECRSA-N 1 2 326.396 3.452 10 30 EGEELO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)CCO2)o1 ZINC000245760114 455374686 /nfs/dbraw/zinc/37/46/86/455374686.db2.gz POTBOXIPFQIVQS-BEFAXECRSA-N 1 2 326.396 3.452 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000188484865 456070430 /nfs/dbraw/zinc/07/04/30/456070430.db2.gz PAHHQKQDFNQNGN-IIDMSEBBSA-N 1 2 336.501 3.228 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000188484865 456070435 /nfs/dbraw/zinc/07/04/35/456070435.db2.gz PAHHQKQDFNQNGN-IIDMSEBBSA-N 1 2 336.501 3.228 10 30 EGEELO C=C(C)[C@@H](NC(=O)NCc1[nH+]ccn1CC)c1ccc(F)c(F)c1 ZINC000296998202 456087927 /nfs/dbraw/zinc/08/79/27/456087927.db2.gz UUKOQXYRELATGC-MRXNPFEDSA-N 1 2 334.370 3.298 10 30 EGEELO COc1ccc(Nc2cc(C)[nH+]c(C)c2C#N)cc1N1CCCC1=O ZINC000301751879 456206914 /nfs/dbraw/zinc/20/69/14/456206914.db2.gz BFIGJFPHGYBOAI-UHFFFAOYSA-N 1 2 336.395 3.449 10 30 EGEELO CC(=O)c1ccc(C#N)cc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000302071828 456279924 /nfs/dbraw/zinc/27/99/24/456279924.db2.gz YXIYAWPPZSWANP-UHFFFAOYSA-N 1 2 349.434 3.205 10 30 EGEELO CC(=O)c1ccc(C#N)cc1N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000302106463 456290071 /nfs/dbraw/zinc/29/00/71/456290071.db2.gz NTSCYRRJNIAFDX-HNNXBMFYSA-N 1 2 334.423 3.039 10 30 EGEELO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000340236426 456331393 /nfs/dbraw/zinc/33/13/93/456331393.db2.gz KFLCFZBIQLPEAQ-QAPCUYQASA-N 1 2 344.361 3.153 10 30 EGEELO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000340236426 456331398 /nfs/dbraw/zinc/33/13/98/456331398.db2.gz KFLCFZBIQLPEAQ-QAPCUYQASA-N 1 2 344.361 3.153 10 30 EGEELO N#Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)ccc1F ZINC000340238889 456332527 /nfs/dbraw/zinc/33/25/27/456332527.db2.gz WMMOKRTUZVKGOQ-KDOFPFPSSA-N 1 2 332.325 3.283 10 30 EGEELO N#Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)ccc1F ZINC000340238889 456332536 /nfs/dbraw/zinc/33/25/36/456332536.db2.gz WMMOKRTUZVKGOQ-KDOFPFPSSA-N 1 2 332.325 3.283 10 30 EGEELO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000337604954 456417128 /nfs/dbraw/zinc/41/71/28/456417128.db2.gz PGVJDXHFYKSMTD-UHFFFAOYSA-N 1 2 331.460 3.038 10 30 EGEELO C=CCCc1ccccc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000337604954 456417134 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169128869 /nfs/dbraw/zinc/12/88/69/169128869.db2.gz CWYYSEHKQHSMSC-ZDUSSCGKSA-N 1 2 334.379 3.468 10 30 EGEELO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc(C#N)o3)CC2)cs1 ZINC000091949766 218093439 /nfs/dbraw/zinc/09/34/39/218093439.db2.gz ZEHRFKUFIVUHKW-UHFFFAOYSA-N 1 2 344.484 3.223 10 30 EGEELO N#Cc1ccc(Cn2c3ccccc3[nH+]c2N2CCCC[C@H]2CO)cc1 ZINC000095078498 218273767 /nfs/dbraw/zinc/27/37/67/218273767.db2.gz MFEDIURAEKPAOY-SFHVURJKSA-N 1 2 346.434 3.307 10 30 EGEELO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)n1C ZINC000328655793 258019043 /nfs/dbraw/zinc/01/90/43/258019043.db2.gz YRTHQRNAZUHESO-INIZCTEOSA-N 1 2 342.468 3.045 10 30 EGEELO CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)n1C ZINC000328655793 258019045 /nfs/dbraw/zinc/01/90/45/258019045.db2.gz YRTHQRNAZUHESO-INIZCTEOSA-N 1 2 342.468 3.045 10 30 EGEELO N#Cc1cccc(NC(=O)C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000171623610 144008000 /nfs/dbraw/zinc/00/80/00/144008000.db2.gz YUNGRKLKDHJKNB-UHFFFAOYSA-N 1 2 348.381 3.175 10 30 EGEELO N#Cc1cccc(NC(=O)C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000171623610 144008001 /nfs/dbraw/zinc/00/80/01/144008001.db2.gz YUNGRKLKDHJKNB-UHFFFAOYSA-N 1 2 348.381 3.175 10 30 EGEELO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000186564315 144137706 /nfs/dbraw/zinc/13/77/06/144137706.db2.gz FBVZMPNEVJBLNY-UHFFFAOYSA-N 1 2 345.874 3.436 10 30 EGEELO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121281284 152340068 /nfs/dbraw/zinc/34/00/68/152340068.db2.gz VFINRMXYWKUIFX-MAUKXSAKSA-N 1 2 344.361 3.153 10 30 EGEELO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121281284 152340069 /nfs/dbraw/zinc/34/00/69/152340069.db2.gz VFINRMXYWKUIFX-MAUKXSAKSA-N 1 2 344.361 3.153 10 30 EGEELO N#Cc1csc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000188751071 153031846 /nfs/dbraw/zinc/03/18/46/153031846.db2.gz OSXVCCKJPYUXIQ-UHFFFAOYSA-N 1 2 345.855 3.061 10 30 EGEELO N#Cc1csc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000188751071 153031850 /nfs/dbraw/zinc/03/18/50/153031850.db2.gz OSXVCCKJPYUXIQ-UHFFFAOYSA-N 1 2 345.855 3.061 10 30 EGEELO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000248621487 163022464 /nfs/dbraw/zinc/02/24/64/163022464.db2.gz NEMDNUUFVRHHAG-RTBURBONSA-N 1 2 342.826 3.319 10 30 EGEELO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000248621487 163022465 /nfs/dbraw/zinc/02/24/65/163022465.db2.gz NEMDNUUFVRHHAG-RTBURBONSA-N 1 2 342.826 3.319 10 30 EGEELO N#Cc1ccc(Br)c(C[N@@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000411836902 270046923 /nfs/dbraw/zinc/04/69/23/270046923.db2.gz AJROLYOEYKYGRZ-INIZCTEOSA-N 1 2 335.245 3.322 10 30 EGEELO N#Cc1ccc(Br)c(C[N@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000411836902 270046924 /nfs/dbraw/zinc/04/69/24/270046924.db2.gz AJROLYOEYKYGRZ-INIZCTEOSA-N 1 2 335.245 3.322 10 30 EGEELO CCOc1ccccc1C[N@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000533774774 270061386 /nfs/dbraw/zinc/06/13/86/270061386.db2.gz JCXVEJGOFTZARM-UHFFFAOYSA-N 1 2 338.407 3.376 10 30 EGEELO CCOc1ccccc1C[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000533774774 270061387 /nfs/dbraw/zinc/06/13/87/270061387.db2.gz JCXVEJGOFTZARM-UHFFFAOYSA-N 1 2 338.407 3.376 10 30 EGEELO CC[N@H+](Cc1ccc(OC)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459297698 267069237 /nfs/dbraw/zinc/06/92/37/267069237.db2.gz JURYQLJWAQWREK-UHFFFAOYSA-N 1 2 325.368 3.497 10 30 EGEELO CC[N@@H+](Cc1ccc(OC)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459297698 267069239 /nfs/dbraw/zinc/06/92/39/267069239.db2.gz JURYQLJWAQWREK-UHFFFAOYSA-N 1 2 325.368 3.497 10 30 EGEELO C[C@@]12CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C[C@@H]1C2(F)F ZINC000298336260 267121026 /nfs/dbraw/zinc/12/10/26/267121026.db2.gz RUJYHQPYGCXDNW-DZGCQCFKSA-N 1 2 339.773 3.127 10 30 EGEELO C[C@@]12CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C[C@@H]1C2(F)F ZINC000298336260 267121029 /nfs/dbraw/zinc/12/10/29/267121029.db2.gz RUJYHQPYGCXDNW-DZGCQCFKSA-N 1 2 339.773 3.127 10 30 EGEELO N#Cc1cccc(CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000521465215 268272034 /nfs/dbraw/zinc/27/20/34/268272034.db2.gz QGOKLJOGNNMVHM-SFHVURJKSA-N 1 2 348.450 3.040 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000459309111 268289827 /nfs/dbraw/zinc/28/98/27/268289827.db2.gz SRQPHTQGASCWND-UHFFFAOYSA-N 1 2 336.395 3.179 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000459309111 268289828 /nfs/dbraw/zinc/28/98/28/268289828.db2.gz SRQPHTQGASCWND-UHFFFAOYSA-N 1 2 336.395 3.179 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000459400252 268291216 /nfs/dbraw/zinc/29/12/16/268291216.db2.gz BZVLZHDBKXXELK-OAHLLOKOSA-N 1 2 337.379 3.367 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000459400252 268291219 /nfs/dbraw/zinc/29/12/19/268291219.db2.gz BZVLZHDBKXXELK-OAHLLOKOSA-N 1 2 337.379 3.367 10 30 EGEELO N#Cc1cn(Cc2c[nH+]cn2Cc2ccccc2)c2ccccc2c1=O ZINC000432528379 268309001 /nfs/dbraw/zinc/30/90/01/268309001.db2.gz VKVSNGTZKRJILZ-UHFFFAOYSA-N 1 2 340.386 3.166 10 30 EGEELO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1[N+](=O)[O-] ZINC000342297054 278360303 /nfs/dbraw/zinc/36/03/03/278360303.db2.gz TYBFNMCWZQHFEW-GFCCVEGCSA-N 1 2 349.350 3.367 10 30 EGEELO N#Cc1cnn2cc(C[NH2+][C@@H](c3ccco3)c3ccccc3)cnc12 ZINC000549764870 315103684 /nfs/dbraw/zinc/10/36/84/315103684.db2.gz WCUINYMOCYMMBI-GOSISDBHSA-N 1 2 329.363 3.073 10 30 EGEELO N#Cc1ccc2[nH+]cc(CNc3cccc(OC[C@H]4CCCO4)c3)n2c1 ZINC000172340196 323277293 /nfs/dbraw/zinc/27/72/93/323277293.db2.gz FHPHEIVFQWOFID-LJQANCHMSA-N 1 2 348.406 3.376 10 30 EGEELO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000176288765 323327945 /nfs/dbraw/zinc/32/79/45/323327945.db2.gz SEUGOKDDYJUJBS-CYBMUJFWSA-N 1 2 343.427 3.278 10 30 EGEELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000176288753 323328076 /nfs/dbraw/zinc/32/80/76/323328076.db2.gz SEUGOKDDYJUJBS-ZDUSSCGKSA-N 1 2 343.427 3.278 10 30 EGEELO CCc1[nH+]c2cc(CNC(=O)c3cc(C#N)ccn3)ccc2n1C1CC1 ZINC000577975537 324897408 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EGEELO C=CCN(Cc1ccccc1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000046098622 454219725 /nfs/dbraw/zinc/21/97/25/454219725.db2.gz YFIHEQWNIVIAPX-UHFFFAOYSA-N 1 2 347.422 3.165 10 30 EGEELO Cc1nc(C[NH+]2CCN(c3ccccc3C#N)CC2)nc2ccccc12 ZINC000101554434 454473072 /nfs/dbraw/zinc/47/30/72/454473072.db2.gz LTCWQBXITHIUTQ-UHFFFAOYSA-N 1 2 343.434 3.132 10 30 EGEELO C=CC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccc([N+](=O)[O-])c1 ZINC000092646264 454599570 /nfs/dbraw/zinc/59/95/70/454599570.db2.gz PCIPFPCHBSEJIJ-UHFFFAOYSA-N 1 2 347.378 3.302 10 30 EGEELO C=CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccc([N+](=O)[O-])c1 ZINC000092646264 454599576 /nfs/dbraw/zinc/59/95/76/454599576.db2.gz PCIPFPCHBSEJIJ-UHFFFAOYSA-N 1 2 347.378 3.302 10 30 EGEELO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)[C@H](c2ccccc2)CO1 ZINC000093660646 454726824 /nfs/dbraw/zinc/72/68/24/454726824.db2.gz ZOOCZTMIVMFZJP-BEFAXECRSA-N 1 2 332.407 3.168 10 30 EGEELO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3ccnc(C#N)c3)n2)ccc1F ZINC000612531921 460652843 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C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)OC)oc1C ZINC000568063885 459217587 /nfs/dbraw/zinc/21/75/87/459217587.db2.gz ARFKRRLYYYWGMS-UHFFFAOYSA-N 1 2 333.384 3.038 10 30 EGEELO C=CCN(CC(F)(F)F)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000580092564 459255927 /nfs/dbraw/zinc/25/59/27/459255927.db2.gz KDCDJZSFLPUZOT-SECBINFHSA-N 1 2 343.271 3.033 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000590952907 459279894 /nfs/dbraw/zinc/27/98/94/459279894.db2.gz WFOMXAQJYDWMOA-IBGZPJMESA-N 1 2 337.379 3.430 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000590952907 459279898 /nfs/dbraw/zinc/27/98/98/459279898.db2.gz WFOMXAQJYDWMOA-IBGZPJMESA-N 1 2 337.379 3.430 10 30 EGEELO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CC#N)CC1 ZINC000541953297 459513803 /nfs/dbraw/zinc/51/38/03/459513803.db2.gz GPFSAPAYJMTZAY-GFCCVEGCSA-N 1 2 342.468 3.061 10 30 EGEELO C=CCCCS(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000489701978 459569104 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COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279406 1296888043 /nfs/dbraw/zinc/88/80/43/1296888043.db2.gz FFJKOWYDYYHRKE-OALUTQOASA-N 1 2 342.439 3.196 10 30 EGEELO C#C[C@H]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000872852074 1297141675 /nfs/dbraw/zinc/14/16/75/1297141675.db2.gz CULNAUGITMNBHS-KOMQPUFPSA-N 1 2 340.402 3.003 10 30 EGEELO C#CCOc1cccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000874445699 1297893463 /nfs/dbraw/zinc/89/34/63/1297893463.db2.gz HGRGYTQEVQETNH-AWEZNQCLSA-N 1 2 337.301 3.027 10 30 EGEELO C#CCOc1ccccc1NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000879285840 1300469519 /nfs/dbraw/zinc/46/95/19/1300469519.db2.gz ZHTAFFRUJUJXBH-SFHVURJKSA-N 1 2 335.407 3.007 10 30 EGEELO C#CCOc1ccccc1NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000879285840 1300469525 /nfs/dbraw/zinc/46/95/25/1300469525.db2.gz ZHTAFFRUJUJXBH-SFHVURJKSA-N 1 2 335.407 3.007 10 30 EGEELO C#CC[N@H+](Cc1ccncc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426047 1303463756 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C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1cccc(C#N)c1O ZINC000866296594 1330092478 /nfs/dbraw/zinc/09/24/78/1330092478.db2.gz MIVRBPLDAVOSDH-LBPRGKRZSA-N 1 2 338.386 3.183 10 30 EGEELO C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1cccc(C#N)c1O ZINC000866361226 1330102277 /nfs/dbraw/zinc/10/22/77/1330102277.db2.gz LJOCKUSOZGYIED-SGTLLEGYSA-N 1 2 328.437 3.464 10 30 EGEELO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cccc(C#N)c1O ZINC000866366337 1330102668 /nfs/dbraw/zinc/10/26/68/1330102668.db2.gz ZYUCNUPHYQKPEC-HIFRSBDPSA-N 1 2 325.387 3.332 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CC=CC2)C(C)(C)C1 ZINC000940643069 1331137690 /nfs/dbraw/zinc/13/76/90/1331137690.db2.gz NOTSZTNLGMYKPE-AWEZNQCLSA-N 1 2 341.293 3.078 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CC=CC2)C(C)(C)C1 ZINC000940643069 1331137693 /nfs/dbraw/zinc/13/76/93/1331137693.db2.gz NOTSZTNLGMYKPE-AWEZNQCLSA-N 1 2 341.293 3.078 10 30 EGEELO C#CCCC1(CCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)N=N1 ZINC000952881102 1334586966 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1418852738 /nfs/dbraw/zinc/85/27/38/1418852738.db2.gz SQUPDXYAMVGJMD-MOPGFXCFSA-N 1 2 339.439 3.067 10 30 EGEELO CC[N@H+](CCNC(=O)[C@H]1C[C@]1(C)C(C)C)Cc1cc(F)ccc1C#N ZINC001714595516 1419346695 /nfs/dbraw/zinc/34/66/95/1419346695.db2.gz WBDRCAPXXBAPOE-UYAOXDASSA-N 1 2 345.462 3.318 10 30 EGEELO CC[N@@H+](CCNC(=O)[C@H]1C[C@]1(C)C(C)C)Cc1cc(F)ccc1C#N ZINC001714595516 1419346697 /nfs/dbraw/zinc/34/66/97/1419346697.db2.gz WBDRCAPXXBAPOE-UYAOXDASSA-N 1 2 345.462 3.318 10 30 EGEELO CCC1(C(=O)NCC[N@H+](Cc2cc(F)ccc2C#N)C2CC2)CCC1 ZINC001714669689 1419459427 /nfs/dbraw/zinc/45/94/27/1419459427.db2.gz PNYZAWBAKMSKBV-UHFFFAOYSA-N 1 2 343.446 3.358 10 30 EGEELO CCC1(C(=O)NCC[N@@H+](Cc2cc(F)ccc2C#N)C2CC2)CCC1 ZINC001714669689 1419459428 /nfs/dbraw/zinc/45/94/28/1419459428.db2.gz PNYZAWBAKMSKBV-UHFFFAOYSA-N 1 2 343.446 3.358 10 30 EGEELO C[C@@H]1CC[C@H](C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)C1 ZINC001714672907 1419463107 /nfs/dbraw/zinc/46/31/07/1419463107.db2.gz GNOFDJZSSHMIFJ-CVEARBPZSA-N 1 2 325.456 3.075 10 30 EGEELO C[C@@H]1CC[C@H](C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)C1 ZINC001714672907 1419463109 /nfs/dbraw/zinc/46/31/09/1419463109.db2.gz GNOFDJZSSHMIFJ-CVEARBPZSA-N 1 2 325.456 3.075 10 30 EGEELO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001714850779 1419562540 /nfs/dbraw/zinc/56/25/40/1419562540.db2.gz MEPZNJHNADDPKN-BGYRXZFFSA-N 1 2 340.442 3.209 10 30 EGEELO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001714850779 1419562543 /nfs/dbraw/zinc/56/25/43/1419562543.db2.gz MEPZNJHNADDPKN-BGYRXZFFSA-N 1 2 340.442 3.209 10 30 EGEELO C#CCCCCC(=O)NCC1C[NH+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC001714963294 1419702033 /nfs/dbraw/zinc/70/20/33/1419702033.db2.gz PMKPLOHONPKYEH-AWEZNQCLSA-N 1 2 334.410 3.267 10 30 EGEELO CN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001715016603 1419744980 /nfs/dbraw/zinc/74/49/80/1419744980.db2.gz ZMMBCPUTLJGSJS-MRXNPFEDSA-N 1 2 334.410 3.047 10 30 EGEELO CN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001715016603 1419744983 /nfs/dbraw/zinc/74/49/83/1419744983.db2.gz ZMMBCPUTLJGSJS-MRXNPFEDSA-N 1 2 334.410 3.047 10 30 EGEELO CCC[C@H](CC)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001733229081 1429358603 /nfs/dbraw/zinc/35/86/03/1429358603.db2.gz KMOQIJWAEFNUHM-WMZOPIPTSA-N 1 2 343.471 3.084 10 30 EGEELO CCC[C@H](CC)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001733229081 1429358607 /nfs/dbraw/zinc/35/86/07/1429358607.db2.gz KMOQIJWAEFNUHM-WMZOPIPTSA-N 1 2 343.471 3.084 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CC#Cc2ccccc2)C1 ZINC001715042967 1419782353 /nfs/dbraw/zinc/78/23/53/1419782353.db2.gz DVURMHQDTXXXHG-SFHVURJKSA-N 1 2 330.859 3.104 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CC#Cc2ccccc2)C1 ZINC001715042967 1419782354 /nfs/dbraw/zinc/78/23/54/1419782354.db2.gz DVURMHQDTXXXHG-SFHVURJKSA-N 1 2 330.859 3.104 10 30 EGEELO C=CCCC(=O)N1CCC2(C[NH+](Cc3cc(F)ccc3F)C2)CC1 ZINC001715312397 1420021765 /nfs/dbraw/zinc/02/17/65/1420021765.db2.gz RQTMNQXOZILFTR-UHFFFAOYSA-N 1 2 334.410 3.355 10 30 EGEELO C=CCC1(C(=O)N(C)[C@H](C)C[NH2+][C@H](C)c2nc(C3CC3)no2)CCC1 ZINC001715364607 1420061894 /nfs/dbraw/zinc/06/18/94/1420061894.db2.gz VWKFTUGDCJCRFK-ZIAGYGMSSA-N 1 2 346.475 3.191 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)CC[N@H+](C)Cc1nc2ccccc2n1C ZINC001715838453 1420362552 /nfs/dbraw/zinc/36/25/52/1420362552.db2.gz DFYRGXBQBFPBRJ-UHFFFAOYSA-N 1 2 342.487 3.066 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)CC[N@@H+](C)Cc1nc2ccccc2n1C ZINC001715838453 1420362555 /nfs/dbraw/zinc/36/25/55/1420362555.db2.gz DFYRGXBQBFPBRJ-UHFFFAOYSA-N 1 2 342.487 3.066 10 30 EGEELO C=CC1(CC(=O)NC/C=C\C[NH2+]Cc2cc(C)on2)CCCCC1 ZINC001715881460 1420381502 /nfs/dbraw/zinc/38/15/02/1420381502.db2.gz BCAPFPSFKJDAFK-FPLPWBNLSA-N 1 2 331.460 3.272 10 30 EGEELO C=CCC1(C(=O)NCC2([NH2+]Cc3noc4c3CCCC4)CC2)CCC1 ZINC001733259105 1429411421 /nfs/dbraw/zinc/41/14/21/1429411421.db2.gz FRNPNTZCJQLHPA-UHFFFAOYSA-N 1 2 343.471 3.038 10 30 EGEELO C=C1CCC(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC001715991848 1420447124 /nfs/dbraw/zinc/44/71/24/1420447124.db2.gz BIRGBDMNNRHHLA-UONOGXRCSA-N 1 2 348.491 3.269 10 30 EGEELO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H](C)C1CCC1 ZINC001716484345 1420702793 /nfs/dbraw/zinc/70/27/93/1420702793.db2.gz XYVHYICDQQJOCI-KBPBESRZSA-N 1 2 331.435 3.070 10 30 EGEELO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@@H](C)C1CCC1 ZINC001716484345 1420702795 /nfs/dbraw/zinc/70/27/95/1420702795.db2.gz XYVHYICDQQJOCI-KBPBESRZSA-N 1 2 331.435 3.070 10 30 EGEELO C=CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)c1nc2ccccc2o1 ZINC001716662090 1420815293 /nfs/dbraw/zinc/81/52/93/1420815293.db2.gz YTRVEINVUHTOCJ-CABCVRRESA-N 1 2 327.428 3.436 10 30 EGEELO C=CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)c1nc2ccccc2o1 ZINC001716662090 1420815296 /nfs/dbraw/zinc/81/52/96/1420815296.db2.gz YTRVEINVUHTOCJ-CABCVRRESA-N 1 2 327.428 3.436 10 30 EGEELO CC[C@H]1CCC[C@]1(C)C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001716716118 1420872900 /nfs/dbraw/zinc/87/29/00/1420872900.db2.gz XURKIZWTYVKXET-PXNSSMCTSA-N 1 2 331.504 3.429 10 30 EGEELO CC[C@H]1CCC[C@]1(C)C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001716716118 1420872911 /nfs/dbraw/zinc/87/29/11/1420872911.db2.gz XURKIZWTYVKXET-PXNSSMCTSA-N 1 2 331.504 3.429 10 30 EGEELO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1c(C)noc1CC ZINC001716719389 1420875843 /nfs/dbraw/zinc/87/58/43/1420875843.db2.gz XNTHUXCLVWSTJY-IYBDPMFKSA-N 1 2 331.460 3.077 10 30 EGEELO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1c(C)noc1CC ZINC001716719389 1420875845 /nfs/dbraw/zinc/87/58/45/1420875845.db2.gz XNTHUXCLVWSTJY-IYBDPMFKSA-N 1 2 331.460 3.077 10 30 EGEELO C#CCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001716720219 1420877256 /nfs/dbraw/zinc/87/72/56/1420877256.db2.gz XZFCRMZGTTVZAE-SZPZYZBQSA-N 1 2 348.490 3.297 10 30 EGEELO C#CCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001716720219 1420877261 /nfs/dbraw/zinc/87/72/61/1420877261.db2.gz XZFCRMZGTTVZAE-SZPZYZBQSA-N 1 2 348.490 3.297 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)C1C[NH+](CCOc2cc(C)cc(C)c2)C1 ZINC001716747329 1420900579 /nfs/dbraw/zinc/90/05/79/1420900579.db2.gz XYMTZKODTOEYEB-UHFFFAOYSA-N 1 2 344.499 3.427 10 30 EGEELO C#CCN(C(=O)C[C@@H](C)CCC)C1CC[NH+](Cc2cscn2)CC1 ZINC001716804138 1420934494 /nfs/dbraw/zinc/93/44/94/1420934494.db2.gz XJNRGAWRABOWCP-INIZCTEOSA-N 1 2 347.528 3.396 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001716849739 1420979935 /nfs/dbraw/zinc/97/99/35/1420979935.db2.gz CPWVBQSECJEIII-WCQYABFASA-N 1 2 326.790 3.298 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001716849739 1420979936 /nfs/dbraw/zinc/97/99/36/1420979936.db2.gz CPWVBQSECJEIII-WCQYABFASA-N 1 2 326.790 3.298 10 30 EGEELO N#CC[N@H+](CC1CC1)C1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC001733279666 1429450406 /nfs/dbraw/zinc/45/04/06/1429450406.db2.gz RFQYYRBQAZKQPI-UHFFFAOYSA-N 1 2 337.423 3.273 10 30 EGEELO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC001733279666 1429450407 /nfs/dbraw/zinc/45/04/07/1429450407.db2.gz RFQYYRBQAZKQPI-UHFFFAOYSA-N 1 2 337.423 3.273 10 30 EGEELO C=CCCC(=O)NCC1(C)CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC001716882962 1421006855 /nfs/dbraw/zinc/00/68/55/1421006855.db2.gz DVNCPDXVNFGZDC-UHFFFAOYSA-N 1 2 346.475 3.022 10 30 EGEELO C=C[C@](C)(CC)C(=O)NCC1(C)CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC001716887513 1421011353 /nfs/dbraw/zinc/01/13/53/1421011353.db2.gz PICYTCGMKAIZCK-AUUYWEPGSA-N 1 2 348.491 3.260 10 30 EGEELO C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001733284916 1429457429 /nfs/dbraw/zinc/45/74/29/1429457429.db2.gz GLHULPPWFVERFY-ZFWWWQNUSA-N 1 2 336.373 3.168 10 30 EGEELO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001733284916 1429457431 /nfs/dbraw/zinc/45/74/31/1429457431.db2.gz GLHULPPWFVERFY-ZFWWWQNUSA-N 1 2 336.373 3.168 10 30 EGEELO C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001733284916 1429457436 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N#Cc1ccc2ncc(C[N@H+]3CCSC[C@H]3c3ccccc3)n2c1 ZINC000128369589 303201749 /nfs/dbraw/zinc/20/17/49/303201749.db2.gz WKJXZLPMNMBDMQ-SFHVURJKSA-N 1 2 334.448 3.496 10 30 EGEELO O=C1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C=C1Nc1ccccc1 ZINC000000129193 452515850 /nfs/dbraw/zinc/51/58/50/452515850.db2.gz VISHHYYCIMOGJH-IBGZPJMESA-N 1 2 333.435 3.146 10 30 EGEELO N#CC1(c2ccc(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)cc2)CC1 ZINC000181444654 455335068 /nfs/dbraw/zinc/33/50/68/455335068.db2.gz CSMCXNLLPOQMTE-UHFFFAOYSA-N 1 2 346.434 3.167 10 30 EGEELO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1 ZINC000007847048 453124470 /nfs/dbraw/zinc/12/44/70/453124470.db2.gz AYSVRKRUXICGCP-UHFFFAOYSA-N 1 2 331.466 3.240 10 30 EGEELO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1 ZINC000007847048 453124476 /nfs/dbraw/zinc/12/44/76/453124476.db2.gz AYSVRKRUXICGCP-UHFFFAOYSA-N 1 2 331.466 3.240 10 30 EGEELO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000052926861 453849405 /nfs/dbraw/zinc/84/94/05/453849405.db2.gz 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454398119 /nfs/dbraw/zinc/39/81/19/454398119.db2.gz BUWRXSOGTVQJPL-IBGZPJMESA-N 1 2 332.407 3.180 10 30 EGEELO C=CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063287358 454402193 /nfs/dbraw/zinc/40/21/93/454402193.db2.gz VSBPALJOXGNEEM-MRXNPFEDSA-N 1 2 347.459 3.476 10 30 EGEELO C=CC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063287358 454402196 /nfs/dbraw/zinc/40/21/96/454402196.db2.gz VSBPALJOXGNEEM-MRXNPFEDSA-N 1 2 347.459 3.476 10 30 EGEELO N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000097200315 454424070 /nfs/dbraw/zinc/42/40/70/454424070.db2.gz CRLACMKULZAREU-GHMZBOCLSA-N 1 2 338.337 3.273 10 30 EGEELO COc1cc(NCc2c[nH+]c3ccc(C#N)cn23)c(OC)cc1Cl ZINC000092174789 454532491 /nfs/dbraw/zinc/53/24/91/454532491.db2.gz YONAEOMUKWRFBS-UHFFFAOYSA-N 1 2 342.786 3.489 10 30 EGEELO CCOc1ccc([C@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)cc1 ZINC000065520293 454583088 /nfs/dbraw/zinc/58/30/88/454583088.db2.gz VEWBPUVZZHBALV-ZDUSSCGKSA-N 1 2 336.399 3.312 10 30 EGEELO N#CCCCOc1cccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000092831484 454643422 /nfs/dbraw/zinc/64/34/22/454643422.db2.gz SHDVGJLKZSCVSG-KRWDZBQOSA-N 1 2 343.452 3.399 10 30 EGEELO N#CCCCOc1cccc(C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000092831484 454643428 /nfs/dbraw/zinc/64/34/28/454643428.db2.gz SHDVGJLKZSCVSG-KRWDZBQOSA-N 1 2 343.452 3.399 10 30 EGEELO C=CC[N@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1cccs1 ZINC000123719154 454668546 /nfs/dbraw/zinc/66/85/46/454668546.db2.gz ZJQBROPWSLBCRO-UHFFFAOYSA-N 1 2 333.482 3.320 10 30 EGEELO C=CC[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1cccs1 ZINC000123719154 454668552 /nfs/dbraw/zinc/66/85/52/454668552.db2.gz ZJQBROPWSLBCRO-UHFFFAOYSA-N 1 2 333.482 3.320 10 30 EGEELO Cc1cc(C#N)ccc1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000161855801 454729774 /nfs/dbraw/zinc/72/97/74/454729774.db2.gz LMXTWAYHDABWCB-UHFFFAOYSA-N 1 2 348.450 3.428 10 30 EGEELO COc1ccc(CNc2ccc(N(C)C)[nH+]c2)cc1OCCCC#N ZINC000153347002 454785201 /nfs/dbraw/zinc/78/52/01/454785201.db2.gz OGZMKCHSFLULPT-UHFFFAOYSA-N 1 2 340.427 3.451 10 30 EGEELO C[C@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccc(C#N)cc1 ZINC000127484379 454969229 /nfs/dbraw/zinc/96/92/29/454969229.db2.gz GMHXOUMLHUMTJA-LBPRGKRZSA-N 1 2 344.374 3.392 10 30 EGEELO C=CCOc1cc(OC)ccc1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000128201477 455034165 /nfs/dbraw/zinc/03/41/65/455034165.db2.gz WFVORQLOAIMYBP-UHFFFAOYSA-N 1 2 343.427 3.043 10 30 EGEELO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171614789 455080687 /nfs/dbraw/zinc/08/06/87/455080687.db2.gz FVQZRPXJQPTMHR-HNNXBMFYSA-N 1 2 325.456 3.339 10 30 EGEELO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171614789 455080692 /nfs/dbraw/zinc/08/06/92/455080692.db2.gz FVQZRPXJQPTMHR-HNNXBMFYSA-N 1 2 325.456 3.339 10 30 EGEELO C=CCn1c(SCc2c[nH+]c3ccccn23)nnc1-c1ccccn1 ZINC000179987204 455111597 /nfs/dbraw/zinc/11/15/97/455111597.db2.gz RBJGZCWMJFZGPN-UHFFFAOYSA-N 1 2 348.435 3.466 10 30 EGEELO C[C@H](c1ccco1)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000156927657 455157415 /nfs/dbraw/zinc/15/74/15/455157415.db2.gz JCSMHVAIFFQIDO-CQSZACIVSA-N 1 2 344.436 3.151 10 30 EGEELO C[C@H](c1ccco1)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000156927657 455157418 /nfs/dbraw/zinc/15/74/18/455157418.db2.gz JCSMHVAIFFQIDO-CQSZACIVSA-N 1 2 344.436 3.151 10 30 EGEELO Cc1ccc([C@H]2C[N@H+](CCCOc3cccc(C#N)c3)CCO2)o1 ZINC000158941244 455339819 /nfs/dbraw/zinc/33/98/19/455339819.db2.gz UKQWBIJKLGHFPF-LJQANCHMSA-N 1 2 326.396 3.302 10 30 EGEELO Cc1ccc([C@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CCO2)o1 ZINC000158941244 455339824 /nfs/dbraw/zinc/33/98/24/455339824.db2.gz UKQWBIJKLGHFPF-LJQANCHMSA-N 1 2 326.396 3.302 10 30 EGEELO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000246561432 455507250 /nfs/dbraw/zinc/50/72/50/455507250.db2.gz DMHMBFPQXPCADR-GJYPPUQNSA-N 1 2 346.446 3.177 10 30 EGEELO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000246561432 455507257 /nfs/dbraw/zinc/50/72/57/455507257.db2.gz DMHMBFPQXPCADR-GJYPPUQNSA-N 1 2 346.446 3.177 10 30 EGEELO Cc1cc(C#N)ccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000161199940 455547809 /nfs/dbraw/zinc/54/78/09/455547809.db2.gz DJCLNZJVGVCPKU-UHFFFAOYSA-N 1 2 330.391 3.042 10 30 EGEELO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1F ZINC000192125670 455560300 /nfs/dbraw/zinc/56/03/00/455560300.db2.gz PRWSTHZPZWKLRS-KBXCAEBGSA-N 1 2 332.325 3.283 10 30 EGEELO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1F ZINC000192125670 455560305 /nfs/dbraw/zinc/56/03/05/455560305.db2.gz PRWSTHZPZWKLRS-KBXCAEBGSA-N 1 2 332.325 3.283 10 30 EGEELO COC(=O)[C@]1(C)CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000186389505 455759143 /nfs/dbraw/zinc/75/91/43/455759143.db2.gz SSKRYTOTJATNDC-INIZCTEOSA-N 1 2 325.330 3.084 10 30 EGEELO COC(=O)[C@]1(C)CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000186389505 455759146 /nfs/dbraw/zinc/75/91/46/455759146.db2.gz SSKRYTOTJATNDC-INIZCTEOSA-N 1 2 325.330 3.084 10 30 EGEELO CCC1(CC)C[N@H+](Cc2cccc(OCCCC#N)c2)CC[S@@]1=O ZINC000187554484 455925436 /nfs/dbraw/zinc/92/54/36/455925436.db2.gz ZPIKUAHNTPFVFZ-DEOSSOPVSA-N 1 2 348.512 3.492 10 30 EGEELO CCC1(CC)C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[S@@]1=O ZINC000187554484 455925442 /nfs/dbraw/zinc/92/54/42/455925442.db2.gz ZPIKUAHNTPFVFZ-DEOSSOPVSA-N 1 2 348.512 3.492 10 30 EGEELO CC(C)[C@@H]1C[C@@H](C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCO1 ZINC000222196993 456046499 /nfs/dbraw/zinc/04/64/99/456046499.db2.gz PWLQEBLEJOEYFZ-ACRUOGEOSA-N 1 2 341.499 3.148 10 30 EGEELO CC(C)[C@@H]1C[C@@H](C[N@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCO1 ZINC000222196993 456046503 /nfs/dbraw/zinc/04/65/03/456046503.db2.gz PWLQEBLEJOEYFZ-ACRUOGEOSA-N 1 2 341.499 3.148 10 30 EGEELO N#Cc1cnc(NCc2ccc(N3CCCC3)[nH+]c2)c2sccc21 ZINC000601102857 460710502 /nfs/dbraw/zinc/71/05/02/460710502.db2.gz HXZYKPZQKGQGSF-UHFFFAOYSA-N 1 2 335.436 3.197 10 30 EGEELO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000273380069 456226602 /nfs/dbraw/zinc/22/66/02/456226602.db2.gz CAIWRZPVWKUADS-HNNXBMFYSA-N 1 2 329.404 3.177 10 30 EGEELO CC(C)(C)c1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000290049935 456226873 /nfs/dbraw/zinc/22/68/73/456226873.db2.gz RSOKUPXFFSXEIF-UHFFFAOYSA-N 1 2 338.455 3.162 10 30 EGEELO CN(C)c1[nH+]cccc1CNc1ccc(Br)cc1C#N ZINC000302155344 456302074 /nfs/dbraw/zinc/30/20/74/456302074.db2.gz IRAAQALOHOBCAB-UHFFFAOYSA-N 1 2 331.217 3.394 10 30 EGEELO C=CCO[C@H]1CCN(c2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000302185907 456311514 /nfs/dbraw/zinc/31/15/14/456311514.db2.gz UENSVEQFEJJIBS-INIZCTEOSA-N 1 2 340.383 3.142 10 30 EGEELO Cc1csc(NC2CCN(c3cc(C)[nH+]c(C)c3C#N)CC2)n1 ZINC000302269649 456331202 /nfs/dbraw/zinc/33/12/02/456331202.db2.gz RSDLYKGNCOINPI-UHFFFAOYSA-N 1 2 327.457 3.416 10 30 EGEELO N#Cc1csc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)n1 ZINC000352824968 456339654 /nfs/dbraw/zinc/33/96/54/456339654.db2.gz RUNYBVOVLGVKSW-UHFFFAOYSA-N 1 2 335.816 3.119 10 30 EGEELO Cc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)nc1C#N ZINC000302599519 456363788 /nfs/dbraw/zinc/36/37/88/456363788.db2.gz BUXRKNWLBZXJIH-UHFFFAOYSA-N 1 2 326.831 3.237 10 30 EGEELO Cc1ccc([C@H](CNc2ccc(C)c(C#N)n2)[NH+]2CCOCC2)s1 ZINC000302598525 456364379 /nfs/dbraw/zinc/36/43/79/456364379.db2.gz BPUPYJGMSUQVTC-INIZCTEOSA-N 1 2 342.468 3.117 10 30 EGEELO C=CCCc1ccccc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000337605569 456417634 /nfs/dbraw/zinc/41/76/34/456417634.db2.gz PRHFOYZONQWIGT-HZPDHXFCSA-N 1 2 331.460 3.036 10 30 EGEELO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(C#N)c1C ZINC000298325681 456425244 /nfs/dbraw/zinc/42/52/44/456425244.db2.gz RDSOWVRWPIJULE-WNMQOVRZSA-N 1 2 337.370 3.072 10 30 EGEELO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(C#N)c1C ZINC000298325681 456425247 /nfs/dbraw/zinc/42/52/47/456425247.db2.gz RDSOWVRWPIJULE-WNMQOVRZSA-N 1 2 337.370 3.072 10 30 EGEELO Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282338981 456482514 /nfs/dbraw/zinc/48/25/14/456482514.db2.gz OLVNYAUEMSIUGE-CQSZACIVSA-N 1 2 338.411 3.012 10 30 EGEELO C=CCSCCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000299295869 456651493 /nfs/dbraw/zinc/65/14/93/456651493.db2.gz JEKRBQMZKPRMDB-UHFFFAOYSA-N 1 2 340.518 3.170 10 30 EGEELO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328700653 456740004 /nfs/dbraw/zinc/74/00/04/456740004.db2.gz MUZHVILMVJLBPM-TZMCWYRMSA-N 1 2 334.370 3.475 10 30 EGEELO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328700653 456740007 /nfs/dbraw/zinc/74/00/07/456740007.db2.gz MUZHVILMVJLBPM-TZMCWYRMSA-N 1 2 334.370 3.475 10 30 EGEELO O=C(Nc1scnc1C1CC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000328924245 456792102 /nfs/dbraw/zinc/79/21/02/456792102.db2.gz NOTHOILEHUQVMZ-UHFFFAOYSA-N 1 2 343.456 3.410 10 30 EGEELO COc1cccc(CNC(=O)C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000329420792 456887414 /nfs/dbraw/zinc/88/74/14/456887414.db2.gz HKPQKYZGNSITKS-LJQANCHMSA-N 1 2 346.471 3.433 10 30 EGEELO COc1cccc(CNC(=O)C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000329420792 456887417 /nfs/dbraw/zinc/88/74/17/456887417.db2.gz HKPQKYZGNSITKS-LJQANCHMSA-N 1 2 346.471 3.433 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCO[C@@H]1c1cccnc1)CCC2 ZINC000330060222 456980087 /nfs/dbraw/zinc/98/00/87/456980087.db2.gz MHHRNSAGGGTZQJ-YESZJQIVSA-N 1 2 340.427 3.198 10 30 EGEELO N#CCCCNC(=O)[C@@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000346775510 457164026 /nfs/dbraw/zinc/16/40/26/457164026.db2.gz XJCDPVHSTHEJIF-MRXNPFEDSA-N 1 2 337.826 3.426 10 30 EGEELO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000347037314 457197807 /nfs/dbraw/zinc/19/78/07/457197807.db2.gz SXPTUKFCEQMLMH-NSHDSACASA-N 1 2 349.221 3.483 10 30 EGEELO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000347037314 457197811 /nfs/dbraw/zinc/19/78/11/457197811.db2.gz SXPTUKFCEQMLMH-NSHDSACASA-N 1 2 349.221 3.483 10 30 EGEELO C=CCCC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000360699964 457326022 /nfs/dbraw/zinc/32/60/22/457326022.db2.gz QTUXSEWAXMKOLH-YOEHRIQHSA-N 1 2 326.362 3.322 10 30 EGEELO C=CCCC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000360699964 457326029 /nfs/dbraw/zinc/32/60/29/457326029.db2.gz QTUXSEWAXMKOLH-YOEHRIQHSA-N 1 2 326.362 3.322 10 30 EGEELO COc1ccc2c(c1)N(Cc1c[nH+]c3ccc(C#N)cn13)C[C@H](C)O2 ZINC000342768973 457512554 /nfs/dbraw/zinc/51/25/54/457512554.db2.gz OXNPMKFQOAKXCU-ZDUSSCGKSA-N 1 2 334.379 3.002 10 30 EGEELO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364184906 457515649 /nfs/dbraw/zinc/51/56/49/457515649.db2.gz CWELKDWDOVGEPQ-IAGOWNOFSA-N 1 2 333.432 3.033 10 30 EGEELO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000361410488 457721916 /nfs/dbraw/zinc/72/19/16/457721916.db2.gz OIVHEGFHOPRAQG-QGZVFWFLSA-N 1 2 336.439 3.157 10 30 EGEELO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000361410488 457721920 /nfs/dbraw/zinc/72/19/20/457721920.db2.gz OIVHEGFHOPRAQG-QGZVFWFLSA-N 1 2 336.439 3.157 10 30 EGEELO Cc1ccc(C[N@H+](CCO)Cc2ccc(C#N)cc2Br)o1 ZINC000361520209 457767422 /nfs/dbraw/zinc/76/74/22/457767422.db2.gz RZLWZMNNXODYGI-UHFFFAOYSA-N 1 2 349.228 3.217 10 30 EGEELO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C#N)cc2Br)o1 ZINC000361520209 457767424 /nfs/dbraw/zinc/76/74/24/457767424.db2.gz RZLWZMNNXODYGI-UHFFFAOYSA-N 1 2 349.228 3.217 10 30 EGEELO N#CC[C@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000366321346 457805883 /nfs/dbraw/zinc/80/58/83/457805883.db2.gz WABZZHSKTVUVSP-GOSISDBHSA-N 1 2 348.450 3.254 10 30 EGEELO N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371279738 457848743 /nfs/dbraw/zinc/84/87/43/457848743.db2.gz KRHOMRRMZIWCST-HNNXBMFYSA-N 1 2 342.402 3.236 10 30 EGEELO N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371279738 457848749 /nfs/dbraw/zinc/84/87/49/457848749.db2.gz KRHOMRRMZIWCST-HNNXBMFYSA-N 1 2 342.402 3.236 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000444695288 457943567 /nfs/dbraw/zinc/94/35/67/457943567.db2.gz LUABDBMCSIXUSD-PXAZEXFGSA-N 1 2 339.842 3.354 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000444695288 457943577 /nfs/dbraw/zinc/94/35/77/457943577.db2.gz LUABDBMCSIXUSD-PXAZEXFGSA-N 1 2 339.842 3.354 10 30 EGEELO C=CC[C@@H]1N(C(=O)NCc2ccc[nH+]c2N(C)C)CCCC1(C)C ZINC000444844064 457987607 /nfs/dbraw/zinc/98/76/07/457987607.db2.gz DJBZLRAVIOVIGE-INIZCTEOSA-N 1 2 330.476 3.424 10 30 EGEELO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411841487 457990334 /nfs/dbraw/zinc/99/03/34/457990334.db2.gz GDVSSEPCHINXCZ-YJBOKZPZSA-N 1 2 348.512 3.152 10 30 EGEELO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411841487 457990341 /nfs/dbraw/zinc/99/03/41/457990341.db2.gz GDVSSEPCHINXCZ-YJBOKZPZSA-N 1 2 348.512 3.152 10 30 EGEELO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411841485 457991064 /nfs/dbraw/zinc/99/10/64/457991064.db2.gz GDVSSEPCHINXCZ-MAUKXSAKSA-N 1 2 348.512 3.152 10 30 EGEELO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411841485 457991067 /nfs/dbraw/zinc/99/10/67/457991067.db2.gz GDVSSEPCHINXCZ-MAUKXSAKSA-N 1 2 348.512 3.152 10 30 EGEELO Cn1cc(-c2cc(C[N@@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)on2)cn1 ZINC000368660833 458052550 /nfs/dbraw/zinc/05/25/50/458052550.db2.gz SXPAFVYEXCTQMW-ICSRJNTNSA-N 1 2 347.422 3.347 10 30 EGEELO Cn1cc(-c2cc(C[N@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)on2)cn1 ZINC000368660833 458052560 /nfs/dbraw/zinc/05/25/60/458052560.db2.gz SXPAFVYEXCTQMW-ICSRJNTNSA-N 1 2 347.422 3.347 10 30 EGEELO CC(=O)N1CC[N@H+](Cc2cccc(F)c2C#N)CC12CCCCC2 ZINC000428293025 458114488 /nfs/dbraw/zinc/11/44/88/458114488.db2.gz FCSOZOVUXNMWIM-UHFFFAOYSA-N 1 2 329.419 3.064 10 30 EGEELO CC(=O)N1CC[N@@H+](Cc2cccc(F)c2C#N)CC12CCCCC2 ZINC000428293025 458114497 /nfs/dbraw/zinc/11/44/97/458114497.db2.gz FCSOZOVUXNMWIM-UHFFFAOYSA-N 1 2 329.419 3.064 10 30 EGEELO CC[C@@H](CO)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000362382932 458137694 /nfs/dbraw/zinc/13/76/94/458137694.db2.gz DHUMOODESBAJOD-NRFANRHFSA-N 1 2 349.478 3.114 10 30 EGEELO CC(C)(C)c1ccc(CCN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000428469041 458151817 /nfs/dbraw/zinc/15/18/17/458151817.db2.gz RLJUNGGVSKVRQK-UHFFFAOYSA-N 1 2 343.515 3.074 10 30 EGEELO CC(C)(C)c1ccc(CC[N@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000428469041 458151822 /nfs/dbraw/zinc/15/18/22/458151822.db2.gz RLJUNGGVSKVRQK-UHFFFAOYSA-N 1 2 343.515 3.074 10 30 EGEELO CC(C)(C)c1ccc(CC[N@@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000428469041 458151824 /nfs/dbraw/zinc/15/18/24/458151824.db2.gz RLJUNGGVSKVRQK-UHFFFAOYSA-N 1 2 343.515 3.074 10 30 EGEELO N#Cc1ccc(C[NH+]2CC(CO)(c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000414549830 458323697 /nfs/dbraw/zinc/32/36/97/458323697.db2.gz MHDFDVILOKXLNW-UHFFFAOYSA-N 1 2 346.352 3.323 10 30 EGEELO N#Cc1csc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)n1 ZINC000414562242 458323738 /nfs/dbraw/zinc/32/37/38/458323738.db2.gz STUFRYGRZZCWLN-QGZVFWFLSA-N 1 2 325.437 3.368 10 30 EGEELO N#Cc1csc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)n1 ZINC000414562242 458323747 /nfs/dbraw/zinc/32/37/47/458323747.db2.gz STUFRYGRZZCWLN-QGZVFWFLSA-N 1 2 325.437 3.368 10 30 EGEELO Cc1nc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)nc2ccccc12 ZINC000376736508 458379134 /nfs/dbraw/zinc/37/91/34/458379134.db2.gz LRAUAPFHMFYFQW-UHFFFAOYSA-N 1 2 343.434 3.391 10 30 EGEELO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000430940681 458508503 /nfs/dbraw/zinc/50/85/03/458508503.db2.gz QJZFLFARIXEADA-DOTOQJQBSA-N 1 2 325.416 3.006 10 30 EGEELO N#CCCC[C@@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000431371119 458563243 /nfs/dbraw/zinc/56/32/43/458563243.db2.gz VGSBVRTZAWPWIN-HZPDHXFCSA-N 1 2 337.427 3.001 10 30 EGEELO N#CCCC[C@@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000431371119 458563246 /nfs/dbraw/zinc/56/32/46/458563246.db2.gz VGSBVRTZAWPWIN-HZPDHXFCSA-N 1 2 337.427 3.001 10 30 EGEELO C#CCC1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000373762726 458595383 /nfs/dbraw/zinc/59/53/83/458595383.db2.gz JKFNLTZZVUKXDY-UHFFFAOYSA-N 1 2 325.456 3.140 10 30 EGEELO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)o2)C[C@@H](C)O1 ZINC000431840843 458632029 /nfs/dbraw/zinc/63/20/29/458632029.db2.gz PAAGVESOKBATNR-ZIAGYGMSSA-N 1 2 339.395 3.013 10 30 EGEELO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000470936396 458667276 /nfs/dbraw/zinc/66/72/76/458667276.db2.gz YVULPOGJPMGLAR-JOYOIKCWSA-N 1 2 345.752 3.423 10 30 EGEELO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000470936396 458667281 /nfs/dbraw/zinc/66/72/81/458667281.db2.gz YVULPOGJPMGLAR-JOYOIKCWSA-N 1 2 345.752 3.423 10 30 EGEELO N#C[C@@]1(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC12CCCC2 ZINC000556119460 458929818 /nfs/dbraw/zinc/92/98/18/458929818.db2.gz VWMADGINGTWPCW-QGZVFWFLSA-N 1 2 328.803 3.078 10 30 EGEELO N#CC1(CC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000590153352 459093681 /nfs/dbraw/zinc/09/36/81/459093681.db2.gz ZMQPWZSQZJIIGM-HNNXBMFYSA-N 1 2 349.837 3.426 10 30 EGEELO N#Cc1ccc(CCC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000590366085 459121508 /nfs/dbraw/zinc/12/15/08/459121508.db2.gz DDFPMNPTJIOFGM-WGSAOQKQSA-N 1 2 348.450 3.425 10 30 EGEELO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)N(CCC#N)c1ccccc1 ZINC000594713008 459137349 /nfs/dbraw/zinc/13/73/49/459137349.db2.gz SEILABUHORMZHF-KBPBESRZSA-N 1 2 328.441 3.129 10 30 EGEELO N#Cc1ccc(-c2nnc(C[N@@H+]3CCOCC34CCCCC4)o2)cc1 ZINC000590761887 459208227 /nfs/dbraw/zinc/20/82/27/459208227.db2.gz ZMADOTZENCOSCP-UHFFFAOYSA-N 1 2 338.411 3.143 10 30 EGEELO N#Cc1ccc(-c2nnc(C[N@H+]3CCOCC34CCCCC4)o2)cc1 ZINC000590761887 459208231 /nfs/dbraw/zinc/20/82/31/459208231.db2.gz ZMADOTZENCOSCP-UHFFFAOYSA-N 1 2 338.411 3.143 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000482907100 459330021 /nfs/dbraw/zinc/33/00/21/459330021.db2.gz XHLYESNBPHFPKL-HKUYNNGSSA-N 1 2 331.435 3.407 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000482907100 459330025 /nfs/dbraw/zinc/33/00/25/459330025.db2.gz XHLYESNBPHFPKL-HKUYNNGSSA-N 1 2 331.435 3.407 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595672812 459390951 /nfs/dbraw/zinc/39/09/51/459390951.db2.gz BZBZZHDIJMPFNP-MSOLQXFVSA-N 1 2 329.444 3.251 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595672812 459390959 /nfs/dbraw/zinc/39/09/59/459390959.db2.gz BZBZZHDIJMPFNP-MSOLQXFVSA-N 1 2 329.444 3.251 10 30 EGEELO Cc1[nH+]c2cc(CNc3ncc(C#N)cc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000569355751 459437754 /nfs/dbraw/zinc/43/77/54/459437754.db2.gz XYPLYZVCYMANGC-UHFFFAOYSA-N 1 2 348.366 3.467 10 30 EGEELO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841024 459461275 /nfs/dbraw/zinc/46/12/75/459461275.db2.gz UFCBIAKVKJXIBG-MRUHUIDDSA-N 1 2 339.483 3.367 10 30 EGEELO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841024 459461280 /nfs/dbraw/zinc/46/12/80/459461280.db2.gz UFCBIAKVKJXIBG-MRUHUIDDSA-N 1 2 339.483 3.367 10 30 EGEELO COc1ccc2ncc(C#N)c(N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000591920789 459485338 /nfs/dbraw/zinc/48/53/38/459485338.db2.gz HKMLTLOMECFOFD-KUHUBIRLSA-N 1 2 347.422 3.399 10 30 EGEELO CC1(C)C[NH+](CC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000584539534 459764732 /nfs/dbraw/zinc/76/47/32/459764732.db2.gz VDROZBDNXBJKKT-UHFFFAOYSA-N 1 2 336.395 3.026 10 30 EGEELO N#Cc1cccc2c1C[N@H+](C[C@H](O)CO[C@@H]1CCCc3ccccc31)C2 ZINC000593123116 459780672 /nfs/dbraw/zinc/78/06/72/459780672.db2.gz SWJXSCKAYKUITE-SIKLNZKXSA-N 1 2 348.446 3.329 10 30 EGEELO N#Cc1cccc2c1C[N@@H+](C[C@H](O)CO[C@@H]1CCCc3ccccc31)C2 ZINC000593123116 459780676 /nfs/dbraw/zinc/78/06/76/459780676.db2.gz SWJXSCKAYKUITE-SIKLNZKXSA-N 1 2 348.446 3.329 10 30 EGEELO N#CC1(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCCC1 ZINC000593135931 459784731 /nfs/dbraw/zinc/78/47/31/459784731.db2.gz OPINGTZGMRZBLE-UHFFFAOYSA-N 1 2 347.488 3.334 10 30 EGEELO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1OCc1ccncc1 ZINC000597231587 459886677 /nfs/dbraw/zinc/88/66/77/459886677.db2.gz ZLDKTISFTFORFV-HXUWFJFHSA-N 1 2 337.423 3.405 10 30 EGEELO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1OCc1ccncc1 ZINC000597231587 459886681 /nfs/dbraw/zinc/88/66/81/459886681.db2.gz ZLDKTISFTFORFV-HXUWFJFHSA-N 1 2 337.423 3.405 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598648821 459977675 /nfs/dbraw/zinc/97/76/75/459977675.db2.gz IBSPYXVGXUCWQJ-JDFRZJQESA-N 1 2 329.435 3.233 10 30 EGEELO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593976707 460036758 /nfs/dbraw/zinc/03/67/58/460036758.db2.gz YDZCZGPWDXJXHU-JQHSSLGASA-N 1 2 341.455 3.428 10 30 EGEELO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)cn1 ZINC000593976707 460036762 /nfs/dbraw/zinc/03/67/62/460036762.db2.gz YDZCZGPWDXJXHU-JQHSSLGASA-N 1 2 341.455 3.428 10 30 EGEELO CC(C)(C#N)c1ccc(C[N@@H+]2CCNC(=O)[C@H]2c2cccs2)cc1 ZINC000614175857 460039647 /nfs/dbraw/zinc/03/96/47/460039647.db2.gz DIZYZBRLVAVJAH-QGZVFWFLSA-N 1 2 339.464 3.222 10 30 EGEELO CC(C)(C#N)c1ccc(C[N@H+]2CCNC(=O)[C@H]2c2cccs2)cc1 ZINC000614175857 460039656 /nfs/dbraw/zinc/03/96/56/460039656.db2.gz DIZYZBRLVAVJAH-QGZVFWFLSA-N 1 2 339.464 3.222 10 30 EGEELO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602655997 460046439 /nfs/dbraw/zinc/04/64/39/460046439.db2.gz QWPKTHCFSADKKU-UHFFFAOYSA-N 1 2 344.459 3.465 10 30 EGEELO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602655997 460046447 /nfs/dbraw/zinc/04/64/47/460046447.db2.gz QWPKTHCFSADKKU-UHFFFAOYSA-N 1 2 344.459 3.465 10 30 EGEELO Cc1cc[nH+]c([C@H]2CCN(c3ncc(Br)cc3C#N)C2)c1 ZINC000599100275 460161732 /nfs/dbraw/zinc/16/17/32/460161732.db2.gz LNSVJKBKYNGNGC-LBPRGKRZSA-N 1 2 343.228 3.413 10 30 EGEELO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000594310842 460185151 /nfs/dbraw/zinc/18/51/51/460185151.db2.gz FQMYUSXUDXJBLV-GPMSIDNRSA-N 1 2 336.439 3.043 10 30 EGEELO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676631 460306762 /nfs/dbraw/zinc/30/67/62/460306762.db2.gz 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C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@@H+](CC(=C)Br)C1 ZINC001324618950 1387701746 /nfs/dbraw/zinc/70/17/46/1387701746.db2.gz FYSUPZUPZPAODS-MRXNPFEDSA-N 1 2 341.293 3.244 10 30 EGEELO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cc(C#N)ccn2)CC1 ZINC001191225299 1367451095 /nfs/dbraw/zinc/45/10/95/1367451095.db2.gz ZJRLNCFLJGVMFQ-HNNXBMFYSA-N 1 2 340.858 3.485 10 30 EGEELO C#CC[N@@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)Cc1ccccc1 ZINC001194163508 1368195721 /nfs/dbraw/zinc/19/57/21/1368195721.db2.gz HWSZIDIENMVPSY-UHFFFAOYSA-N 1 2 349.434 3.087 10 30 EGEELO C#CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)Cc1ccccc1 ZINC001194163508 1368195724 /nfs/dbraw/zinc/19/57/24/1368195724.db2.gz HWSZIDIENMVPSY-UHFFFAOYSA-N 1 2 349.434 3.087 10 30 EGEELO C[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC001197135999 1368751719 /nfs/dbraw/zinc/75/17/19/1368751719.db2.gz TYYTUFHYMYAZEF-YVEFUNNKSA-N 1 2 329.350 3.325 10 30 EGEELO C=CCO[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)C1 ZINC001116557204 1370935936 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329.282 3.076 10 30 EGEELO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1CCc2ccccc2CC1 ZINC001734043580 1437832243 /nfs/dbraw/zinc/83/22/43/1437832243.db2.gz MSAYNASQJSVTCH-HNNXBMFYSA-N 1 2 334.891 3.371 10 30 EGEELO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1CCc2ccccc2CC1 ZINC001734043580 1437832244 /nfs/dbraw/zinc/83/22/44/1437832244.db2.gz MSAYNASQJSVTCH-HNNXBMFYSA-N 1 2 334.891 3.371 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1C[N@@H+](Cc2nc(C)sc2C)CC1(C)C ZINC001734151264 1437919184 /nfs/dbraw/zinc/91/91/84/1437919184.db2.gz ZPDLRSONIOGQAO-HNNXBMFYSA-N 1 2 335.517 3.299 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1C[N@H+](Cc2nc(C)sc2C)CC1(C)C ZINC001734151264 1437919185 /nfs/dbraw/zinc/91/91/85/1437919185.db2.gz ZPDLRSONIOGQAO-HNNXBMFYSA-N 1 2 335.517 3.299 10 30 EGEELO C=C(Br)C[N@H+]1CC=C(CNC(=O)C[C@@H](C)CC)CC1 ZINC001734624335 1438190388 /nfs/dbraw/zinc/19/03/88/1438190388.db2.gz ZEKMLIXDOCTIMH-LBPRGKRZSA-N 1 2 329.282 3.080 10 30 EGEELO C=C(Br)C[N@@H+]1CC=C(CNC(=O)C[C@@H](C)CC)CC1 ZINC001734624335 1438190390 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CN(Cc1[nH]cc[nH+]1)c1c(C#N)cnc2c(Br)cccc21 ZINC000440659236 267323881 /nfs/dbraw/zinc/32/38/81/267323881.db2.gz FTMIBYWGJKHJNO-UHFFFAOYSA-N 1 2 342.200 3.228 10 30 EGEELO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1cccc(C#N)c1)CCCC2 ZINC000279167055 267769638 /nfs/dbraw/zinc/76/96/38/267769638.db2.gz ISDPUUHYVQCNFZ-GOSISDBHSA-N 1 2 334.423 3.148 10 30 EGEELO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278859396 268099973 /nfs/dbraw/zinc/09/99/73/268099973.db2.gz RYGCCZQWEFPJRI-JTQLQIEISA-N 1 2 345.752 3.424 10 30 EGEELO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278859396 268099974 /nfs/dbraw/zinc/09/99/74/268099974.db2.gz RYGCCZQWEFPJRI-JTQLQIEISA-N 1 2 345.752 3.424 10 30 EGEELO N#Cc1c(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cn2ccccc12 ZINC000451264826 268158598 /nfs/dbraw/zinc/15/85/98/268158598.db2.gz NMHOVPLJVVQQQY-TZIWHRDSSA-N 1 2 349.409 3.111 10 30 EGEELO N#Cc1c(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cn2ccccc12 ZINC000451264826 268158599 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C=C[C@@H](CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000119515561 454201243 /nfs/dbraw/zinc/20/12/43/454201243.db2.gz YHHOCGKZWFSTHS-KRWDZBQOSA-N 1 2 332.407 3.243 10 30 EGEELO N#CCSCCC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000120249324 454278697 /nfs/dbraw/zinc/27/86/97/454278697.db2.gz NZMZJZDTFMQFMV-HNNXBMFYSA-N 1 2 327.457 3.255 10 30 EGEELO N#CCSCCC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000120249324 454278704 /nfs/dbraw/zinc/27/87/04/454278704.db2.gz NZMZJZDTFMQFMV-HNNXBMFYSA-N 1 2 327.457 3.255 10 30 EGEELO N#CCSCCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000120249324 454278708 /nfs/dbraw/zinc/27/87/08/454278708.db2.gz NZMZJZDTFMQFMV-HNNXBMFYSA-N 1 2 327.457 3.255 10 30 EGEELO C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103964215 454570418 /nfs/dbraw/zinc/57/04/18/454570418.db2.gz OAKFAVSUMSXYKW-ZDUSSCGKSA-N 1 2 332.363 3.354 10 30 EGEELO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000093457879 454716198 /nfs/dbraw/zinc/71/61/98/454716198.db2.gz IZMQTWSSKFENOT-OAQYLSRUSA-N 1 2 337.419 3.368 10 30 EGEELO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000093457879 454716203 /nfs/dbraw/zinc/71/62/03/454716203.db2.gz IZMQTWSSKFENOT-OAQYLSRUSA-N 1 2 337.419 3.368 10 30 EGEELO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C#N)cc1C ZINC000124601828 454751529 /nfs/dbraw/zinc/75/15/29/454751529.db2.gz WMKKBEKMQPZFPH-UHFFFAOYSA-N 1 2 349.434 3.260 10 30 EGEELO C=CCN(CC=C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000111882478 454877540 /nfs/dbraw/zinc/87/75/40/454877540.db2.gz JPHXZGFLUGGHPN-HNNXBMFYSA-N 1 2 349.425 3.313 10 30 EGEELO C=CCN(CC=C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000111882478 454877543 /nfs/dbraw/zinc/87/75/43/454877543.db2.gz JPHXZGFLUGGHPN-HNNXBMFYSA-N 1 2 349.425 3.313 10 30 EGEELO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000126669623 454910674 /nfs/dbraw/zinc/91/06/74/454910674.db2.gz CWPWMHNCVWKJMP-YJBOKZPZSA-N 1 2 334.435 3.012 10 30 EGEELO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000126669623 454910678 /nfs/dbraw/zinc/91/06/78/454910678.db2.gz CWPWMHNCVWKJMP-YJBOKZPZSA-N 1 2 334.435 3.012 10 30 EGEELO Cc1c(C#N)cccc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000178583833 454962696 /nfs/dbraw/zinc/96/26/96/454962696.db2.gz GNCZQSVROBZATA-UHFFFAOYSA-N 1 2 335.411 3.052 10 30 EGEELO C=CCN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000155888160 455057969 /nfs/dbraw/zinc/05/79/69/455057969.db2.gz CMEJZKNBPPDILX-ZBFHGGJFSA-N 1 2 341.377 3.067 10 30 EGEELO C=CCN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000155888160 455057972 /nfs/dbraw/zinc/05/79/72/455057972.db2.gz CMEJZKNBPPDILX-ZBFHGGJFSA-N 1 2 341.377 3.067 10 30 EGEELO C=C(C)C[C@@H](C)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000185325908 455539804 /nfs/dbraw/zinc/53/98/04/455539804.db2.gz BLRXHISNTYABAQ-IEBWSBKVSA-N 1 2 330.472 3.087 10 30 EGEELO Cc1ccc([C@H](CNc2nc(C)ccc2C#N)[NH+]2CCOCC2)s1 ZINC000161273727 455554755 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C#CCCOc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000295066102 455837861 /nfs/dbraw/zinc/83/78/61/455837861.db2.gz HMCFYGSXVFZUDL-VQIMIIECSA-N 1 2 337.423 3.009 10 30 EGEELO C=CCCCNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000279663506 455870635 /nfs/dbraw/zinc/87/06/35/455870635.db2.gz XZYATJXUGDMOEQ-UHFFFAOYSA-N 1 2 326.444 3.281 10 30 EGEELO C=CCOc1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1Cl ZINC000289630547 456134064 /nfs/dbraw/zinc/13/40/64/456134064.db2.gz WWIXZLIRURLJJC-GOSISDBHSA-N 1 2 337.847 3.286 10 30 EGEELO C=CCOc1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1Cl ZINC000289630547 456134066 /nfs/dbraw/zinc/13/40/66/456134066.db2.gz WWIXZLIRURLJJC-GOSISDBHSA-N 1 2 337.847 3.286 10 30 EGEELO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1cc(C#N)cc(C)n1 ZINC000601125068 460719360 /nfs/dbraw/zinc/71/93/60/460719360.db2.gz KNCYHRCZLBZOFW-UHFFFAOYSA-N 1 2 335.455 3.400 10 30 EGEELO C#Cc1ccc(CNC(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)cc1 ZINC000297595428 456259731 /nfs/dbraw/zinc/25/97/31/456259731.db2.gz MZXTWLYQLQJMOU-SFHVURJKSA-N 1 2 336.439 3.321 10 30 EGEELO CCOc1cc(C[N@H+](C)C[C@@H](C)C#N)cc(Br)c1O ZINC000297898461 456319280 /nfs/dbraw/zinc/31/92/80/456319280.db2.gz RJYPVVGGRVLJFR-JTQLQIEISA-N 1 2 327.222 3.145 10 30 EGEELO CCOc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc(Br)c1O ZINC000297898461 456319284 /nfs/dbraw/zinc/31/92/84/456319284.db2.gz RJYPVVGGRVLJFR-JTQLQIEISA-N 1 2 327.222 3.145 10 30 EGEELO CCOc1cc(C[N@@H+](C)C[C@H](C)C#N)cc(Br)c1O ZINC000297898466 456320166 /nfs/dbraw/zinc/32/01/66/456320166.db2.gz RJYPVVGGRVLJFR-SNVBAGLBSA-N 1 2 327.222 3.145 10 30 EGEELO CCOc1cc(C[N@H+](C)C[C@H](C)C#N)cc(Br)c1O ZINC000297898466 456320159 /nfs/dbraw/zinc/32/01/59/456320159.db2.gz RJYPVVGGRVLJFR-SNVBAGLBSA-N 1 2 327.222 3.145 10 30 EGEELO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(F)cc1C(=O)OC ZINC000352806677 456325514 /nfs/dbraw/zinc/32/55/14/456325514.db2.gz VBONUJWLSCJXPA-UHFFFAOYSA-N 1 2 347.386 3.276 10 30 EGEELO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(F)cc1C(=O)OC ZINC000352806677 456325521 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YVGHPEIYNYOSFO-UHFFFAOYSA-N 1 2 348.450 3.035 10 30 EGEELO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000339573725 154879787 /nfs/dbraw/zinc/87/97/87/154879787.db2.gz OLSSNFPWRBXZMS-UKRRQHHQSA-N 1 2 336.439 3.245 10 30 EGEELO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000339573725 154879789 /nfs/dbraw/zinc/87/97/89/154879789.db2.gz OLSSNFPWRBXZMS-UKRRQHHQSA-N 1 2 336.439 3.245 10 30 EGEELO CN(C)c1[nH]c2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)cc2[nH+]1 ZINC000338923108 163387756 /nfs/dbraw/zinc/38/77/56/163387756.db2.gz FLVIRLUQMAOKJX-UHFFFAOYSA-N 1 2 345.406 3.171 10 30 EGEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278883350 266643034 /nfs/dbraw/zinc/64/30/34/266643034.db2.gz UBIJOVHGRXSDGS-TZMCWYRMSA-N 1 2 326.318 3.047 10 30 EGEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278883350 266643037 /nfs/dbraw/zinc/64/30/37/266643037.db2.gz UBIJOVHGRXSDGS-TZMCWYRMSA-N 1 2 326.318 3.047 10 30 EGEELO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000188971489 267208125 /nfs/dbraw/zinc/20/81/25/267208125.db2.gz SMLLKVNBWIFPEE-MRXNPFEDSA-N 1 2 340.471 3.279 10 30 EGEELO Cc1[nH+]c2cc(NC(=O)[C@H](C)Oc3ccccc3C#N)ccc2n1C ZINC000525217469 268079476 /nfs/dbraw/zinc/07/94/76/268079476.db2.gz QTLYKBMDMFXJFM-LBPRGKRZSA-N 1 2 334.379 3.159 10 30 EGEELO Cc1oc(NC(=O)C[N@@H+]2CC[C@](C)(c3ccccc3)C2)c(C#N)c1C ZINC000438486190 268105115 /nfs/dbraw/zinc/10/51/15/268105115.db2.gz OSCNMJRIAOYTCG-FQEVSTJZSA-N 1 2 337.423 3.370 10 30 EGEELO Cc1oc(NC(=O)C[N@H+]2CC[C@](C)(c3ccccc3)C2)c(C#N)c1C ZINC000438486190 268105116 /nfs/dbraw/zinc/10/51/16/268105116.db2.gz OSCNMJRIAOYTCG-FQEVSTJZSA-N 1 2 337.423 3.370 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000459379892 268292434 /nfs/dbraw/zinc/29/24/34/268292434.db2.gz ADEBSELGTMNFGL-QGZVFWFLSA-N 1 2 325.368 3.070 10 30 EGEELO Cc1cn2c([nH+]1)CN(c1cc(C)c(C#N)c3nc4ccccc4n31)CC2 ZINC000371703174 281546168 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EGEELO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000581899626 325397791 /nfs/dbraw/zinc/39/77/91/325397791.db2.gz KKXWXLVRMQYHHM-GFCCVEGCSA-N 1 2 336.420 3.092 10 30 EGEELO C=CCOc1ccccc1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264800424 455283921 /nfs/dbraw/zinc/28/39/21/455283921.db2.gz TXNKSWHHTOVKGD-UHFFFAOYSA-N 1 2 340.427 3.064 10 30 EGEELO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)n1 ZINC000184219467 455363874 /nfs/dbraw/zinc/36/38/74/455363874.db2.gz NVMFSKAVSKVEPP-SNVBAGLBSA-N 1 2 334.832 3.266 10 30 EGEELO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000052926860 453849668 /nfs/dbraw/zinc/84/96/68/453849668.db2.gz UBQNAIAZWNZNMS-AWEZNQCLSA-N 1 2 332.363 3.150 10 30 EGEELO N#Cc1ccncc1N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000094157810 454191331 /nfs/dbraw/zinc/19/13/31/454191331.db2.gz HADIUHDQNIZRMJ-AWEZNQCLSA-N 1 2 328.366 3.308 10 30 EGEELO N#Cc1ccncc1N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000094157810 454191335 /nfs/dbraw/zinc/19/13/35/454191335.db2.gz HADIUHDQNIZRMJ-AWEZNQCLSA-N 1 2 328.366 3.308 10 30 EGEELO C[C@@H]([NH2+]Cc1nnc2n1CCC[C@H]2C(F)(F)F)c1ccc(C#N)cc1 ZINC000089904756 454231237 /nfs/dbraw/zinc/23/12/37/454231237.db2.gz UWJGBQLJVYPEKF-BXUZGUMPSA-N 1 2 349.360 3.440 10 30 EGEELO C=CCOc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000046619813 454267516 /nfs/dbraw/zinc/26/75/16/454267516.db2.gz MUKFLFUJXUYHNM-UHFFFAOYSA-N 1 2 337.423 3.045 10 30 EGEELO Cn1nccc1C[NH+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047614497 454389819 /nfs/dbraw/zinc/38/98/19/454389819.db2.gz SPTLENDEWXOUJG-UHFFFAOYSA-N 1 2 341.418 3.366 10 30 EGEELO COc1ccccc1C[N@@H+](CC#Cc1ccccc1Cl)CCO ZINC000135038445 454628074 /nfs/dbraw/zinc/62/80/74/454628074.db2.gz DRGWKSIZLGYFAA-UHFFFAOYSA-N 1 2 329.827 3.195 10 30 EGEELO COc1ccccc1C[N@H+](CC#Cc1ccccc1Cl)CCO ZINC000135038445 454628079 /nfs/dbraw/zinc/62/80/79/454628079.db2.gz DRGWKSIZLGYFAA-UHFFFAOYSA-N 1 2 329.827 3.195 10 30 EGEELO C=CCN(CC(F)(F)F)C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000066292140 454678738 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COc1cccc2c1OC/C(=C/c1[nH+]ccn1CC(F)(F)F)C2=O ZINC000171541140 455076689 /nfs/dbraw/zinc/07/66/89/455076689.db2.gz DQKAUDIFFOPQGF-YFHOEESVSA-N 1 2 338.285 3.113 10 30 EGEELO Cc1cc(-c2ccnc(C#N)c2)cc(C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000117148527 455080201 /nfs/dbraw/zinc/08/02/01/455080201.db2.gz CNFGECINJOZTJZ-UHFFFAOYSA-N 1 2 329.363 3.279 10 30 EGEELO Cc1oc(NC(=O)C[N@H+]2CCCC[C@@H]2c2cccn2C)c(C#N)c1C ZINC000157124384 455166111 /nfs/dbraw/zinc/16/61/11/455166111.db2.gz MMGQDMQOHOOJOM-QGZVFWFLSA-N 1 2 340.427 3.272 10 30 EGEELO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)c(C#N)c1C ZINC000157124384 455166112 /nfs/dbraw/zinc/16/61/12/455166112.db2.gz MMGQDMQOHOOJOM-QGZVFWFLSA-N 1 2 340.427 3.272 10 30 EGEELO C=CCNC(=O)C[NH2+][C@@H](c1ccccc1Cl)c1ccccc1OC ZINC000181163007 455296735 /nfs/dbraw/zinc/29/67/35/455296735.db2.gz KOVSQQQNWCAPHC-IBGZPJMESA-N 1 2 344.842 3.330 10 30 EGEELO C=CCCCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000265522783 455338488 /nfs/dbraw/zinc/33/84/88/455338488.db2.gz 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CC1(C#N)CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000272500966 455972698 /nfs/dbraw/zinc/97/26/98/455972698.db2.gz DOMUVFDIWSTAPJ-UHFFFAOYSA-N 1 2 341.333 3.149 10 30 EGEELO Cc1cc(C(=O)C[NH+]2CCC(C)(C#N)CC2)c(C)n1CC(F)(F)F ZINC000272501018 455973206 /nfs/dbraw/zinc/97/32/06/455973206.db2.gz DPMUXAQRDLCDSR-UHFFFAOYSA-N 1 2 341.377 3.476 10 30 EGEELO C=CCC1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)CCC1 ZINC000188739300 456125118 /nfs/dbraw/zinc/12/51/18/456125118.db2.gz XLYOWTLMBPRRJX-HOTGVXAUSA-N 1 2 343.471 3.058 10 30 EGEELO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000281308443 456196878 /nfs/dbraw/zinc/19/68/78/456196878.db2.gz HWUOLGMJMIWWNG-KRWDZBQOSA-N 1 2 348.410 3.069 10 30 EGEELO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000281308443 456196886 /nfs/dbraw/zinc/19/68/86/456196886.db2.gz HWUOLGMJMIWWNG-KRWDZBQOSA-N 1 2 348.410 3.069 10 30 EGEELO Cc1nc(C(F)(F)F)c(CO[NH+]=C(N)[C@H](C)OCC(C)C)s1 ZINC000273513226 456236740 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Cc1cn2c([nH+]1)CN(C(=O)c1cn(CCCC#N)c3ccccc13)CC2 ZINC000368958159 458067046 /nfs/dbraw/zinc/06/70/46/458067046.db2.gz XNTSPQSEKRIXEZ-UHFFFAOYSA-N 1 2 347.422 3.106 10 30 EGEELO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cncc(C(F)(F)F)c3)C2)nc1 ZINC000428782301 458210142 /nfs/dbraw/zinc/21/01/42/458210142.db2.gz KZQGEDVXMWANMQ-HNNXBMFYSA-N 1 2 348.328 3.020 10 30 EGEELO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cncc(C(F)(F)F)c3)C2)nc1 ZINC000428782301 458210150 /nfs/dbraw/zinc/21/01/50/458210150.db2.gz KZQGEDVXMWANMQ-HNNXBMFYSA-N 1 2 348.328 3.020 10 30 EGEELO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000451871166 458489396 /nfs/dbraw/zinc/48/93/96/458489396.db2.gz JVKFCMRROYHALC-GFCCVEGCSA-N 1 2 329.341 3.013 10 30 EGEELO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000451871166 458489402 /nfs/dbraw/zinc/48/94/02/458489402.db2.gz JVKFCMRROYHALC-GFCCVEGCSA-N 1 2 329.341 3.013 10 30 EGEELO Cc1c(C#N)cccc1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000432275032 458708612 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Cn1cc(Br)c(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000594508209 459067689 /nfs/dbraw/zinc/06/76/89/459067689.db2.gz SPFURLSZWOWADS-UHFFFAOYSA-N 1 2 347.260 3.274 10 30 EGEELO Cc1c(Cl)cnc(N[C@@H](c2[nH+]ccn2C)C2CCOCC2)c1C#N ZINC000577876513 459112249 /nfs/dbraw/zinc/11/22/49/459112249.db2.gz AUAJIGRNQTZVNJ-OAHLLOKOSA-N 1 2 345.834 3.228 10 30 EGEELO Cc1cc(C#N)ccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000533039489 459179130 /nfs/dbraw/zinc/17/91/30/459179130.db2.gz PVZQBPJXKYVDJV-GOSISDBHSA-N 1 2 330.391 3.120 10 30 EGEELO COc1ccnc(C[NH2+]Cc2cccc(OCCCC#N)c2)c1F ZINC000594977379 459202478 /nfs/dbraw/zinc/20/24/78/459202478.db2.gz LCTUGYSVDYQBGF-UHFFFAOYSA-N 1 2 329.375 3.202 10 30 EGEELO C=CCOC[C@H]([NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1)C(=O)OC ZINC000482435442 459306986 /nfs/dbraw/zinc/30/69/86/459306986.db2.gz HGXVFRUIJVBJBN-QYZOEREBSA-N 1 2 331.456 3.437 10 30 EGEELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633076 459376034 /nfs/dbraw/zinc/37/60/34/459376034.db2.gz LDEMZVRLIAUUSZ-ZDUSSCGKSA-N 1 2 342.424 3.411 10 30 EGEELO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595674733 459391550 /nfs/dbraw/zinc/39/15/50/459391550.db2.gz KRYUQZZENLDMJB-QAPCUYQASA-N 1 2 329.444 3.205 10 30 EGEELO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595674733 459391552 /nfs/dbraw/zinc/39/15/52/459391552.db2.gz KRYUQZZENLDMJB-QAPCUYQASA-N 1 2 329.444 3.205 10 30 EGEELO Cc1cc[nH+]cc1N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000542947077 459613258 /nfs/dbraw/zinc/61/32/58/459613258.db2.gz PGHGCORTCCYLDR-UHFFFAOYSA-N 1 2 329.407 3.137 10 30 EGEELO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC000584111298 459658320 /nfs/dbraw/zinc/65/83/20/459658320.db2.gz WFLPKMBGIIJSHP-CQSZACIVSA-N 1 2 348.855 3.071 10 30 EGEELO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC000584111298 459658324 /nfs/dbraw/zinc/65/83/24/459658324.db2.gz WFLPKMBGIIJSHP-CQSZACIVSA-N 1 2 348.855 3.071 10 30 EGEELO Cc1c(Cl)c(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)nn1C 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N#CC1(c2ccc(C(=O)NCc3ccc[nH+]c3N3CCCC3)cc2)CC1 ZINC000597941451 460120272 /nfs/dbraw/zinc/12/02/72/460120272.db2.gz PYZRBQNMVNCJLS-UHFFFAOYSA-N 1 2 346.434 3.167 10 30 EGEELO C=CC[C@@H]1CC[N@@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000625703905 460239764 /nfs/dbraw/zinc/23/97/64/460239764.db2.gz LWDOKXWLNYJACU-GFCCVEGCSA-N 1 2 346.431 3.328 10 30 EGEELO C=CC[C@@H]1CC[N@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000625703905 460239767 /nfs/dbraw/zinc/23/97/67/460239767.db2.gz LWDOKXWLNYJACU-GFCCVEGCSA-N 1 2 346.431 3.328 10 30 EGEELO N#CC1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC2(CC2)C1 ZINC000601556095 460830857 /nfs/dbraw/zinc/83/08/57/460830857.db2.gz QLBXJINRYPLSGA-OAHLLOKOSA-N 1 2 338.455 3.009 10 30 EGEELO C=C(C)[C@H](CO)[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000644760738 462063393 /nfs/dbraw/zinc/06/33/93/462063393.db2.gz VIHFOMKWKREDMH-RCBQFDQVSA-N 1 2 329.362 3.404 10 30 EGEELO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000644760738 462063397 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CC1(C)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000190205446 529114122 /nfs/dbraw/zinc/11/41/22/529114122.db2.gz YDFYTTAUFDDART-AWEZNQCLSA-N 1 2 339.361 3.407 10 30 EGEELO C=CCOCCNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000679569932 549736822 /nfs/dbraw/zinc/73/68/22/549736822.db2.gz HIBFDZQEVJRHPW-HNNXBMFYSA-N 1 2 332.448 3.093 10 30 EGEELO C=CCCC[C@H](C)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000680882563 549922846 /nfs/dbraw/zinc/92/28/46/549922846.db2.gz HRWDRPZBTDSYTA-WMZOPIPTSA-N 1 2 341.459 3.164 10 30 EGEELO C=CCCC[C@H](C)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000680882563 549922848 /nfs/dbraw/zinc/92/28/48/549922848.db2.gz HRWDRPZBTDSYTA-WMZOPIPTSA-N 1 2 341.459 3.164 10 30 EGEELO Brc1ccc(N=NCc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000727265563 574656156 /nfs/dbraw/zinc/65/61/56/574656156.db2.gz UJEZMMPAAHNJFM-UHFFFAOYSA-N 1 2 342.200 3.476 10 30 EGEELO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1C(=O)OC ZINC000728917648 574786349 /nfs/dbraw/zinc/78/63/49/574786349.db2.gz JUHYACFYXGTOAC-UHFFFAOYSA-N 1 2 329.346 3.387 10 30 EGEELO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1C(=O)OC ZINC000728917648 574786350 /nfs/dbraw/zinc/78/63/50/574786350.db2.gz JUHYACFYXGTOAC-UHFFFAOYSA-N 1 2 329.346 3.387 10 30 EGEELO COc1ccc(COCCO[NH+]=C(N)c2ccc(Cl)cc2)cc1 ZINC000731030426 575046822 /nfs/dbraw/zinc/04/68/22/575046822.db2.gz PZKFAAXBGPOKMG-UHFFFAOYSA-N 1 2 334.803 3.202 10 30 EGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CN1C[C@H](CC(C)C)CC1=O ZINC000744434569 576828219 /nfs/dbraw/zinc/82/82/19/576828219.db2.gz UHHNDXNYSHJNCC-QGZVFWFLSA-N 1 2 345.443 3.435 10 30 EGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CN1C[C@H](CC(C)C)CC1=O ZINC000744434569 576828220 /nfs/dbraw/zinc/82/82/20/576828220.db2.gz UHHNDXNYSHJNCC-QGZVFWFLSA-N 1 2 345.443 3.435 10 30 EGEELO Cc1ccn2c(/C=C\C(=O)c3cccc(N4CCOC4=O)c3)c[nH+]c2c1 ZINC000098056005 1292962640 /nfs/dbraw/zinc/96/26/40/1292962640.db2.gz UQWPQMZYBFTVBM-WAYWQWQTSA-N 1 2 347.374 3.495 10 30 EGEELO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CC1 ZINC000878341507 1299929281 /nfs/dbraw/zinc/92/92/81/1299929281.db2.gz AJCRIFFKPNWRKX-UHFFFAOYSA-N 1 2 334.763 3.449 10 30 EGEELO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CC1 ZINC000878341507 1299929284 /nfs/dbraw/zinc/92/92/84/1299929284.db2.gz AJCRIFFKPNWRKX-UHFFFAOYSA-N 1 2 334.763 3.449 10 30 EGEELO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000880479667 1301138400 /nfs/dbraw/zinc/13/84/00/1301138400.db2.gz TXRKBSNVGUNZNI-HNNXBMFYSA-N 1 2 348.874 3.134 10 30 EGEELO C=CCC[C@H](Cc1ccccc1)[NH2+]C(c1nccn1C)c1nccn1C ZINC000883238265 1302326538 /nfs/dbraw/zinc/32/65/38/1302326538.db2.gz XJAOCPLOEFPPOH-GOSISDBHSA-N 1 2 349.482 3.410 10 30 EGEELO C#CC[C@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000887199696 1303701677 /nfs/dbraw/zinc/70/16/77/1303701677.db2.gz IWEFYHXJTHYXGB-AWEZNQCLSA-N 1 2 332.473 3.006 10 30 EGEELO C=CCCC[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000889933506 1304636103 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C=CC[C@@H]1CCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000930228526 1328816446 /nfs/dbraw/zinc/81/64/46/1328816446.db2.gz MRVXBJMJRBZZAC-MAUKXSAKSA-N 1 2 329.444 3.262 10 30 EGEELO C=C(C)COc1cc(C[NH2+]Cc2noc3c2COCC3)ccc1OC ZINC000923015312 1322674441 /nfs/dbraw/zinc/67/44/41/1322674441.db2.gz JCKMCTKJHNIBLU-UHFFFAOYSA-N 1 2 344.411 3.001 10 30 EGEELO CC[C@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1cccc(C#N)c1O ZINC000924612707 1323076338 /nfs/dbraw/zinc/07/63/38/1323076338.db2.gz JQAMGHBGUYLBKH-ROUUACIJSA-N 1 2 326.396 3.047 10 30 EGEELO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1OC)c1cccc(C#N)c1O ZINC000924732764 1323138285 /nfs/dbraw/zinc/13/82/85/1323138285.db2.gz CSNUXIDJTRCWIH-SJORKVTESA-N 1 2 326.396 3.047 10 30 EGEELO CC[C@@H]([NH2+]C[C@H](CO)c1ccc(OC)cc1)c1cccc(C#N)c1O ZINC000926572315 1327620389 /nfs/dbraw/zinc/62/03/89/1327620389.db2.gz DMTDKYQVDBIVQN-VQIMIIECSA-N 1 2 340.423 3.089 10 30 EGEELO Cc1cc(C=NNCCCn2cc[nH+]c2)c(Br)cc1F ZINC000863126645 1329529849 /nfs/dbraw/zinc/52/98/49/1329529849.db2.gz MPRRFVYTXMPLEP-UHFFFAOYSA-N 1 2 339.212 3.107 10 30 EGEELO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000934468022 1329980985 /nfs/dbraw/zinc/98/09/85/1329980985.db2.gz YIGBZYGSOBHMEY-KRWDZBQOSA-N 1 2 338.455 3.386 10 30 EGEELO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000934468022 1329980986 /nfs/dbraw/zinc/98/09/86/1329980986.db2.gz YIGBZYGSOBHMEY-KRWDZBQOSA-N 1 2 338.455 3.386 10 30 EGEELO C=CC[C@@H]1CC[N@@H+]1CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000934470917 1329981144 /nfs/dbraw/zinc/98/11/44/1329981144.db2.gz IAUUNCBOBSHZNH-ZBFHGGJFSA-N 1 2 339.395 3.201 10 30 EGEELO C=CC[C@@H]1CC[N@H+]1CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000934470917 1329981146 /nfs/dbraw/zinc/98/11/46/1329981146.db2.gz IAUUNCBOBSHZNH-ZBFHGGJFSA-N 1 2 339.395 3.201 10 30 EGEELO C[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1cccc(C#N)c1O ZINC000866241708 1330084167 /nfs/dbraw/zinc/08/41/67/1330084167.db2.gz FZOVVSLPRIUBKJ-KBXCAEBGSA-N 1 2 337.423 3.134 10 30 EGEELO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866268465 1330088102 /nfs/dbraw/zinc/08/81/02/1330088102.db2.gz WLKYNKKWITXYPN-LIRRHRJNSA-N 1 2 340.423 3.435 10 30 EGEELO C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1cccc(C#N)c1O ZINC000866309641 1330094140 /nfs/dbraw/zinc/09/41/40/1330094140.db2.gz IOHJJUPPXVILII-BTELXILVSA-N 1 2 328.437 3.413 10 30 EGEELO C=CCCCc1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180120 1330182009 /nfs/dbraw/zinc/18/20/09/1330182009.db2.gz DSGKJHOPWPTSFD-QGZVFWFLSA-N 1 2 327.428 3.460 10 30 EGEELO C=CCCCc1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180120 1330182011 /nfs/dbraw/zinc/18/20/11/1330182011.db2.gz DSGKJHOPWPTSFD-QGZVFWFLSA-N 1 2 327.428 3.460 10 30 EGEELO C=CCCC(=O)NC1(C)CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC001324302008 1387588235 /nfs/dbraw/zinc/58/82/35/1387588235.db2.gz UHJZVQACOXRGIA-CQSZACIVSA-N 1 2 334.464 3.191 10 30 EGEELO C=CCCC(=O)N1CCCC[C@@]2(CC[N@@H+]([C@H](C)c3csnn3)C2)C1 ZINC001324550634 1387669440 /nfs/dbraw/zinc/66/94/40/1387669440.db2.gz WMHBLLRVMXGCBU-QAPCUYQASA-N 1 2 348.516 3.270 10 30 EGEELO C=CCCC(=O)N1CCCC[C@@]2(CC[N@H+]([C@H](C)c3csnn3)C2)C1 ZINC001324550634 1387669442 /nfs/dbraw/zinc/66/94/42/1387669442.db2.gz WMHBLLRVMXGCBU-QAPCUYQASA-N 1 2 348.516 3.270 10 30 EGEELO CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc1ccc(F)cc1F ZINC001190604058 1367304965 /nfs/dbraw/zinc/30/49/65/1367304965.db2.gz BNDRCIMTRLHUBQ-CQSZACIVSA-N 1 2 337.414 3.185 10 30 EGEELO CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc1ccc(F)cc1F ZINC001190604058 1367304968 /nfs/dbraw/zinc/30/49/68/1367304968.db2.gz BNDRCIMTRLHUBQ-CQSZACIVSA-N 1 2 337.414 3.185 10 30 EGEELO C=CCO[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(Cc3ccco3)c2C)C1 ZINC001116555888 1370935702 /nfs/dbraw/zinc/93/57/02/1370935702.db2.gz JRRGRYNATAPOBC-GOSISDBHSA-N 1 2 342.439 3.206 10 30 EGEELO C=CCO[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(Cc3ccco3)c2C)C1 ZINC001116555888 1370935704 /nfs/dbraw/zinc/93/57/04/1370935704.db2.gz 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EGEELO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001734045524 1437834207 /nfs/dbraw/zinc/83/42/07/1437834207.db2.gz AVSYVIOFAOEWHB-CVEARBPZSA-N 1 2 338.879 3.089 10 30 EGEELO C=CCCCC(=O)N[C@]12CCC[C@H]1[N@H+]([C@@H](C)c1nnc(C)s1)CC2 ZINC001734437091 1438098885 /nfs/dbraw/zinc/09/88/85/1438098885.db2.gz AXWNSYMPGLHEIU-JOQOYGCGSA-N 1 2 348.516 3.377 10 30 EGEELO C=CCCCC(=O)N[C@]12CCC[C@H]1[N@@H+]([C@@H](C)c1nnc(C)s1)CC2 ZINC001734437091 1438098887 /nfs/dbraw/zinc/09/88/87/1438098887.db2.gz AXWNSYMPGLHEIU-JOQOYGCGSA-N 1 2 348.516 3.377 10 30 EGEELO C=CCCC(=O)N1CCC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)[C@@H]1C ZINC001735377864 1438471437 /nfs/dbraw/zinc/47/14/37/1438471437.db2.gz WQSDJYARNRGQAX-IRXDYDNUSA-N 1 2 343.471 3.082 10 30 EGEELO C=CCCC(=O)N(CC)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001738084928 1438985283 /nfs/dbraw/zinc/98/52/83/1438985283.db2.gz JVJLSKYCKXGIDJ-KRWDZBQOSA-N 1 2 343.471 3.036 10 30 EGEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C1(C)CCCCCC1)C2 ZINC001750939537 1440116145 /nfs/dbraw/zinc/11/61/45/1440116145.db2.gz VWJJPTJFLNQXFL-UHFFFAOYSA-N 1 2 345.512 3.111 10 30 EGEELO C=CCCCn1c(C(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001760433815 1441368597 /nfs/dbraw/zinc/36/85/97/1441368597.db2.gz WFBWBVIZJXXERD-UHFFFAOYSA-N 1 2 340.475 3.089 10 30 EGEELO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093078379 218191785 /nfs/dbraw/zinc/19/17/85/218191785.db2.gz BHVJMVDMQGPKEV-ZDUSSCGKSA-N 1 2 331.366 3.308 10 30 EGEELO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029907738 140796983 /nfs/dbraw/zinc/79/69/83/140796983.db2.gz KGWHTBFLGBNROT-CQSZACIVSA-N 1 2 332.363 3.150 10 30 EGEELO COCC#CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000677819267 549337998 /nfs/dbraw/zinc/33/79/98/549337998.db2.gz VSUQVOGBHUTVJD-UHFFFAOYSA-N 1 2 342.361 3.004 10 30 EGEELO COCC#CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000677819267 549338002 /nfs/dbraw/zinc/33/80/02/549338002.db2.gz VSUQVOGBHUTVJD-UHFFFAOYSA-N 1 2 342.361 3.004 10 30 EGEELO 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ZINC000459300205 268041782 /nfs/dbraw/zinc/04/17/82/268041782.db2.gz VHZUZGOGFBGJHH-UHFFFAOYSA-N 1 2 325.368 3.286 10 30 EGEELO Cc1ccc(OCC[N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459300205 268041785 /nfs/dbraw/zinc/04/17/85/268041785.db2.gz VHZUZGOGFBGJHH-UHFFFAOYSA-N 1 2 325.368 3.286 10 30 EGEELO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459398441 268072057 /nfs/dbraw/zinc/07/20/57/268072057.db2.gz YFRPAEIZOKTCCP-MRXNPFEDSA-N 1 2 325.372 3.144 10 30 EGEELO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459398441 268072060 /nfs/dbraw/zinc/07/20/60/268072060.db2.gz YFRPAEIZOKTCCP-MRXNPFEDSA-N 1 2 325.372 3.144 10 30 EGEELO N#Cc1cccc(S(=O)(=O)CC[N@H+](Cc2cccs2)C2CC2)c1 ZINC000156635805 268275923 /nfs/dbraw/zinc/27/59/23/268275923.db2.gz GIQCQFRYWQTFLA-UHFFFAOYSA-N 1 2 346.477 3.058 10 30 EGEELO N#Cc1cccc(S(=O)(=O)CC[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000156635805 268275926 /nfs/dbraw/zinc/27/59/26/268275926.db2.gz GIQCQFRYWQTFLA-UHFFFAOYSA-N 1 2 346.477 3.058 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000459409979 268289803 /nfs/dbraw/zinc/28/98/03/268289803.db2.gz OJHDFEDNXHYQHF-FQEVSTJZSA-N 1 2 349.390 3.488 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000459409979 268289804 /nfs/dbraw/zinc/28/98/04/268289804.db2.gz OJHDFEDNXHYQHF-FQEVSTJZSA-N 1 2 349.390 3.488 10 30 EGEELO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000620304078 460607922 /nfs/dbraw/zinc/60/79/22/460607922.db2.gz PICCZCOCKPQLRZ-BETUJISGSA-N 1 2 331.366 3.333 10 30 EGEELO C=CC[N@H+](CC(=O)Nc1ccccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000119644120 454209969 /nfs/dbraw/zinc/20/99/69/454209969.db2.gz ANXWBVJXFNQHMJ-UHFFFAOYSA-N 1 2 343.358 3.361 10 30 EGEELO C=CC[N@@H+](CC(=O)Nc1ccccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000119644120 454209971 /nfs/dbraw/zinc/20/99/71/454209971.db2.gz ANXWBVJXFNQHMJ-UHFFFAOYSA-N 1 2 343.358 3.361 10 30 EGEELO Cc1cc(NCCOc2ccc(C#N)cc2)nc(-c2ccncc2)[nH+]1 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Cc1ccc2c(c1C)C(=O)/C(=C/c1c[nH+]c3ccc(C#N)cn13)CO2 ZINC000172375752 455150017 /nfs/dbraw/zinc/15/00/17/455150017.db2.gz KFBLPMUYMAPOTC-VIZOYTHASA-N 1 2 329.359 3.482 10 30 EGEELO CC[C@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1nccs1 ZINC000185068874 455496386 /nfs/dbraw/zinc/49/63/86/455496386.db2.gz ZSJYIEGIMGNVKX-MFKMUULPSA-N 1 2 332.429 3.293 10 30 EGEELO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246924100 455536055 /nfs/dbraw/zinc/53/60/55/455536055.db2.gz RXGYXYYGYWHAJV-HZPDHXFCSA-N 1 2 349.837 3.424 10 30 EGEELO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246924100 455536059 /nfs/dbraw/zinc/53/60/59/455536059.db2.gz RXGYXYYGYWHAJV-HZPDHXFCSA-N 1 2 349.837 3.424 10 30 EGEELO Cc1ccc(C#N)c(NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)n1 ZINC000161274002 455555158 /nfs/dbraw/zinc/55/51/58/455555158.db2.gz PBSJIUYAFRVUCX-ZBFHGGJFSA-N 1 2 342.468 3.197 10 30 EGEELO Cc1ccc(C#N)c(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)n1 ZINC000161274002 455555161 /nfs/dbraw/zinc/55/51/61/455555161.db2.gz PBSJIUYAFRVUCX-ZBFHGGJFSA-N 1 2 342.468 3.197 10 30 EGEELO C=CC[C@@H](CO)NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000185950516 455659765 /nfs/dbraw/zinc/65/97/65/455659765.db2.gz AWOSUMIHLIIKCS-INIZCTEOSA-N 1 2 341.455 3.137 10 30 EGEELO C=CCN(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249286188 455747927 /nfs/dbraw/zinc/74/79/27/455747927.db2.gz SLDUJSALHWICQK-JKSUJKDBSA-N 1 2 339.842 3.442 10 30 EGEELO C=CCN(C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249286188 455747933 /nfs/dbraw/zinc/74/79/33/455747933.db2.gz SLDUJSALHWICQK-JKSUJKDBSA-N 1 2 339.842 3.442 10 30 EGEELO C=CC[C@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000623728821 460694744 /nfs/dbraw/zinc/69/47/44/460694744.db2.gz BEPLJXHTMVUMPM-XJKSGUPXSA-N 1 2 337.414 3.175 10 30 EGEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278883345 455851729 /nfs/dbraw/zinc/85/17/29/455851729.db2.gz UBIJOVHGRXSDGS-GXTWGEPZSA-N 1 2 326.318 3.047 10 30 EGEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278883345 455851733 /nfs/dbraw/zinc/85/17/33/455851733.db2.gz UBIJOVHGRXSDGS-GXTWGEPZSA-N 1 2 326.318 3.047 10 30 EGEELO N#Cc1cccnc1-n1cc(N[C@H](c2cccs2)c2[nH]cc[nH+]2)cn1 ZINC000195117970 455923360 /nfs/dbraw/zinc/92/33/60/455923360.db2.gz YTLHUBFCUMSZLX-OAHLLOKOSA-N 1 2 347.407 3.125 10 30 EGEELO CCOc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(Br)c1O ZINC000297863433 456313390 /nfs/dbraw/zinc/31/33/90/456313390.db2.gz PIAURCLTFCDNJG-JTQLQIEISA-N 1 2 327.222 3.287 10 30 EGEELO CCOc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(Br)c1O ZINC000297863433 456313397 /nfs/dbraw/zinc/31/33/97/456313397.db2.gz PIAURCLTFCDNJG-JTQLQIEISA-N 1 2 327.222 3.287 10 30 EGEELO Cc1ccc(C[NH2+]Cc2nc(C#N)cs2)c(OC[C@@H]2CCCO2)c1 ZINC000352796874 456316330 /nfs/dbraw/zinc/31/63/30/456316330.db2.gz KZWKPFHXJGXOMW-INIZCTEOSA-N 1 2 343.452 3.171 10 30 EGEELO N#Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)nc(C2CC2)n1 ZINC000601140720 460729648 /nfs/dbraw/zinc/72/96/48/460729648.db2.gz AELZAHYRSAFRPZ-UHFFFAOYSA-N 1 2 336.443 3.119 10 30 EGEELO C[N@H+](Cc1cccc(C#N)c1F)[C@H]1CCN(c2ccccc2F)C1=O ZINC000352895550 456396737 /nfs/dbraw/zinc/39/67/37/456396737.db2.gz XSBRZIKPYNLMGZ-KRWDZBQOSA-N 1 2 341.361 3.074 10 30 EGEELO C[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCN(c2ccccc2F)C1=O ZINC000352895550 456396744 /nfs/dbraw/zinc/39/67/44/456396744.db2.gz XSBRZIKPYNLMGZ-KRWDZBQOSA-N 1 2 341.361 3.074 10 30 EGEELO C=CCOc1ccc(C[N@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000343343510 456545912 /nfs/dbraw/zinc/54/59/12/456545912.db2.gz SDYIXDSAZFNARQ-LJQANCHMSA-N 1 2 341.455 3.175 10 30 EGEELO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000343343510 456545920 /nfs/dbraw/zinc/54/59/20/456545920.db2.gz SDYIXDSAZFNARQ-LJQANCHMSA-N 1 2 341.455 3.175 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C)Cc1c(C)nn(C)c1C)CCC2 ZINC000328697297 456739258 /nfs/dbraw/zinc/73/92/58/456739258.db2.gz DNOKLAPMLGOTTH-WBMJQRKESA-N 1 2 343.475 3.255 10 30 EGEELO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@](C)(C#N)CC)[C@H](C)C1 ZINC000344202893 456805507 /nfs/dbraw/zinc/80/55/07/456805507.db2.gz CJQNTTHFEFVOTF-OXQOHEQNSA-N 1 2 343.471 3.058 10 30 EGEELO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@](C)(C#N)CC)[C@H](C)C1 ZINC000344202893 456805513 /nfs/dbraw/zinc/80/55/13/456805513.db2.gz CJQNTTHFEFVOTF-OXQOHEQNSA-N 1 2 343.471 3.058 10 30 EGEELO CC[N@H+](CCC#N)Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000344497274 456833292 /nfs/dbraw/zinc/83/32/92/456833292.db2.gz KNUOJKWNYCKPAH-UHFFFAOYSA-N 1 2 326.444 3.292 10 30 EGEELO CC[N@@H+](CCC#N)Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000344497274 456833298 /nfs/dbraw/zinc/83/32/98/456833298.db2.gz KNUOJKWNYCKPAH-UHFFFAOYSA-N 1 2 326.444 3.292 10 30 EGEELO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348790392 456857938 /nfs/dbraw/zinc/85/79/38/456857938.db2.gz GKYPQOIATTZKNL-AWEZNQCLSA-N 1 2 334.435 3.006 10 30 EGEELO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348790392 456857941 /nfs/dbraw/zinc/85/79/41/456857941.db2.gz GKYPQOIATTZKNL-AWEZNQCLSA-N 1 2 334.435 3.006 10 30 EGEELO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3cc4sccc4s3)CC2)C1 ZINC000339019831 456903503 /nfs/dbraw/zinc/90/35/03/456903503.db2.gz ICLNMSVTYYUOPZ-OLZOCXBDSA-N 1 2 345.493 3.413 10 30 EGEELO Cc1csc([C@H](C)CNC([O-])=[NH+]C[C@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000329694876 456929320 /nfs/dbraw/zinc/92/93/20/456929320.db2.gz XFDNWGQNJUUEPE-BXUZGUMPSA-N 1 2 347.488 3.141 10 30 EGEELO Cc1csc([C@H](C)C[NH+]=C([O-])NC[C@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000329694876 456929324 /nfs/dbraw/zinc/92/93/24/456929324.db2.gz XFDNWGQNJUUEPE-BXUZGUMPSA-N 1 2 347.488 3.141 10 30 EGEELO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ncc(Br)cn1 ZINC000353901076 456958457 /nfs/dbraw/zinc/95/84/57/456958457.db2.gz PWGNASJVYFSQEW-VIFPVBQESA-N 1 2 335.180 3.101 10 30 EGEELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H]1CCO[C@@H]1c1cccnc1)CCC2 ZINC000330060221 456980095 /nfs/dbraw/zinc/98/00/95/456980095.db2.gz MHHRNSAGGGTZQJ-IXDOHACOSA-N 1 2 340.427 3.198 10 30 EGEELO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000330141950 456991111 /nfs/dbraw/zinc/99/11/11/456991111.db2.gz QFGPKKTXDMPASB-FZKQIMNGSA-N 1 2 325.412 3.322 10 30 EGEELO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000330141950 456991117 /nfs/dbraw/zinc/99/11/17/456991117.db2.gz QFGPKKTXDMPASB-FZKQIMNGSA-N 1 2 325.412 3.322 10 30 EGEELO C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(C)(C#N)CC1 ZINC000356456988 456996861 /nfs/dbraw/zinc/99/68/61/456996861.db2.gz NREYCLRZCWHJMU-CQSZACIVSA-N 1 2 329.469 3.139 10 30 EGEELO C=CC[C@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000346740393 457141751 /nfs/dbraw/zinc/14/17/51/457141751.db2.gz YUMNMXINBRPVQI-RDJZCZTQSA-N 1 2 342.443 3.172 10 30 EGEELO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2C)c1C#N ZINC000339563807 457145390 /nfs/dbraw/zinc/14/53/90/457145390.db2.gz QNKSCMUTNITORQ-JSGCOSHPSA-N 1 2 328.460 3.370 10 30 EGEELO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)c1C#N ZINC000339563807 457145397 /nfs/dbraw/zinc/14/53/97/457145397.db2.gz QNKSCMUTNITORQ-JSGCOSHPSA-N 1 2 328.460 3.370 10 30 EGEELO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000360036402 457217079 /nfs/dbraw/zinc/21/70/79/457217079.db2.gz GFFSAJAJDCDOLT-SFHVURJKSA-N 1 2 339.826 3.449 10 30 EGEELO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000360036402 457217085 /nfs/dbraw/zinc/21/70/85/457217085.db2.gz GFFSAJAJDCDOLT-SFHVURJKSA-N 1 2 339.826 3.449 10 30 EGEELO C=CCOc1cccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000363317940 457291162 /nfs/dbraw/zinc/29/11/62/457291162.db2.gz IJLHHRSGKZNYPA-UHFFFAOYSA-N 1 2 326.400 3.386 10 30 EGEELO C=CCOc1cccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000363317940 457291168 /nfs/dbraw/zinc/29/11/68/457291168.db2.gz IJLHHRSGKZNYPA-UHFFFAOYSA-N 1 2 326.400 3.386 10 30 EGEELO N#Cc1ncccc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000357316082 457442271 /nfs/dbraw/zinc/44/22/71/457442271.db2.gz NXVMETLDWCJRSC-UHFFFAOYSA-N 1 2 330.794 3.068 10 30 EGEELO N#Cc1csc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)n1 ZINC000356295462 457559563 /nfs/dbraw/zinc/55/95/63/457559563.db2.gz CDUVFGKYSOLLIR-UHFFFAOYSA-N 1 2 334.395 3.005 10 30 EGEELO N#Cc1csc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)n1 ZINC000356295462 457559567 /nfs/dbraw/zinc/55/95/67/457559567.db2.gz CDUVFGKYSOLLIR-UHFFFAOYSA-N 1 2 334.395 3.005 10 30 EGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)C1(C#N)CCCCC1)C2 ZINC000408157350 457561923 /nfs/dbraw/zinc/56/19/23/457561923.db2.gz IKSJQRYTNYLCKS-CQSZACIVSA-N 1 2 328.460 3.086 10 30 EGEELO C=CC[N@@H+](CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1)C1CC1 ZINC000357551445 457591426 /nfs/dbraw/zinc/59/14/26/457591426.db2.gz ISMMWGHJGZGWJT-UHFFFAOYSA-N 1 2 343.452 3.408 10 30 EGEELO C=CC[N@H+](CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1)C1CC1 ZINC000357551445 457591430 /nfs/dbraw/zinc/59/14/30/457591430.db2.gz ISMMWGHJGZGWJT-UHFFFAOYSA-N 1 2 343.452 3.408 10 30 EGEELO Cc1ccc(C[N@H+](CCO)Cc2cc(C#N)ccc2Br)o1 ZINC000361532587 457776832 /nfs/dbraw/zinc/77/68/32/457776832.db2.gz YGOARXOBIJFFAO-UHFFFAOYSA-N 1 2 349.228 3.217 10 30 EGEELO Cc1ccc(C[N@@H+](CCO)Cc2cc(C#N)ccc2Br)o1 ZINC000361532587 457776840 /nfs/dbraw/zinc/77/68/40/457776840.db2.gz YGOARXOBIJFFAO-UHFFFAOYSA-N 1 2 349.228 3.217 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1C ZINC000426180915 457783131 /nfs/dbraw/zinc/78/31/31/457783131.db2.gz UIVZZNVAEPDKJR-MRXNPFEDSA-N 1 2 346.471 3.137 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1C ZINC000426180915 457783137 /nfs/dbraw/zinc/78/31/37/457783137.db2.gz UIVZZNVAEPDKJR-MRXNPFEDSA-N 1 2 346.471 3.137 10 30 EGEELO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433288378 457800460 /nfs/dbraw/zinc/80/04/60/457800460.db2.gz NJONTUVVIPZLNY-MRXNPFEDSA-N 1 2 327.472 3.295 10 30 EGEELO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433288378 457800465 /nfs/dbraw/zinc/80/04/65/457800465.db2.gz NJONTUVVIPZLNY-MRXNPFEDSA-N 1 2 327.472 3.295 10 30 EGEELO C=C(C)C[C@@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000375130113 457803765 /nfs/dbraw/zinc/80/37/65/457803765.db2.gz YLVSJUZCSPMKET-RHSMWYFYSA-N 1 2 327.428 3.237 10 30 EGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000411198443 457828298 /nfs/dbraw/zinc/82/82/98/457828298.db2.gz XRIDWBDLBHVMEJ-MRXNPFEDSA-N 1 2 345.443 3.230 10 30 EGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000411198443 457828308 /nfs/dbraw/zinc/82/83/08/457828308.db2.gz XRIDWBDLBHVMEJ-MRXNPFEDSA-N 1 2 345.443 3.230 10 30 EGEELO O[C@@H]([C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000444727452 457955901 /nfs/dbraw/zinc/95/59/01/457955901.db2.gz FCFPRRODFDKSFA-ZFWWWQNUSA-N 1 2 331.765 3.327 10 30 EGEELO O[C@@H]([C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000444727452 457955906 /nfs/dbraw/zinc/95/59/06/457955906.db2.gz FCFPRRODFDKSFA-ZFWWWQNUSA-N 1 2 331.765 3.327 10 30 EGEELO Cc1nc([C@@H]2CCCC[N@@H+]2CCCOc2ccc(C#N)cc2)no1 ZINC000369278058 458153873 /nfs/dbraw/zinc/15/38/73/458153873.db2.gz HHWPYXULTRZYST-KRWDZBQOSA-N 1 2 326.400 3.246 10 30 EGEELO Cc1nc([C@@H]2CCCC[N@H+]2CCCOc2ccc(C#N)cc2)no1 ZINC000369278058 458153880 /nfs/dbraw/zinc/15/38/80/458153880.db2.gz HHWPYXULTRZYST-KRWDZBQOSA-N 1 2 326.400 3.246 10 30 EGEELO CC[C@](C)(C#N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000376134887 458208636 /nfs/dbraw/zinc/20/86/36/458208636.db2.gz XQCVVIMWTJJLEE-ZMSDIMECSA-N 1 2 337.826 3.280 10 30 EGEELO CC[C@](C)(C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000376134887 458208642 /nfs/dbraw/zinc/20/86/42/458208642.db2.gz XQCVVIMWTJJLEE-ZMSDIMECSA-N 1 2 337.826 3.280 10 30 EGEELO C=CCCCCCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000376246774 458248693 /nfs/dbraw/zinc/24/86/93/458248693.db2.gz HFBGXRYFULOCJX-UHFFFAOYSA-N 1 2 330.476 3.486 10 30 EGEELO Cn1c(C[NH+]2CCC(C)(C#N)CC2)nc2ccc(Br)cc21 ZINC000362567795 458274407 /nfs/dbraw/zinc/27/44/07/458274407.db2.gz JGQHWWOGBQZXBM-UHFFFAOYSA-N 1 2 347.260 3.461 10 30 EGEELO Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413056107 458292368 /nfs/dbraw/zinc/29/23/68/458292368.db2.gz TXCHWIATRPKFKB-UHFFFAOYSA-N 1 2 337.383 3.251 10 30 EGEELO CC(C)(CO)[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459420816 458365326 /nfs/dbraw/zinc/36/53/26/458365326.db2.gz GKSWKQYJYPDOGH-SFHVURJKSA-N 1 2 339.395 3.316 10 30 EGEELO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[nH]1 ZINC000459679719 458445636 /nfs/dbraw/zinc/44/56/36/458445636.db2.gz PNHFITFBARDHDV-UHFFFAOYSA-N 1 2 337.349 3.282 10 30 EGEELO OC[C@@]1(F)C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000451266462 458471630 /nfs/dbraw/zinc/47/16/30/458471630.db2.gz PAMWRAMUHUYLPE-PMACEKPBSA-N 1 2 343.829 3.492 10 30 EGEELO OC[C@@]1(F)C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000451266462 458471634 /nfs/dbraw/zinc/47/16/34/458471634.db2.gz PAMWRAMUHUYLPE-PMACEKPBSA-N 1 2 343.829 3.492 10 30 EGEELO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000547770364 458789542 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3.331 10 30 EGEELO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001484473514 1395408147 /nfs/dbraw/zinc/40/81/47/1395408147.db2.gz XJPCVEFNUMIHDE-FUHWJXTLSA-N 1 2 343.471 3.331 10 30 EGEELO C=CCC1(C(=O)N(C)CCC[N@H+](C)Cc2ccon2)CCCCC1 ZINC001484769483 1395527890 /nfs/dbraw/zinc/52/78/90/1395527890.db2.gz WANHSBXTHBZTNA-UHFFFAOYSA-N 1 2 333.476 3.482 10 30 EGEELO C=CCC1(C(=O)N(C)CCC[N@@H+](C)Cc2ccon2)CCCCC1 ZINC001484769483 1395527896 /nfs/dbraw/zinc/52/78/96/1395527896.db2.gz WANHSBXTHBZTNA-UHFFFAOYSA-N 1 2 333.476 3.482 10 30 EGEELO C=C(C)CCC(=O)NCc1ccc2c(c1)C[N@@H+](Cc1cnoc1C)C2 ZINC001484874083 1395575319 /nfs/dbraw/zinc/57/53/19/1395575319.db2.gz OAAHUTCVMTWIAQ-UHFFFAOYSA-N 1 2 339.439 3.471 10 30 EGEELO C=C(C)CCC(=O)NCc1ccc2c(c1)C[N@H+](Cc1cnoc1C)C2 ZINC001484874083 1395575323 /nfs/dbraw/zinc/57/53/23/1395575323.db2.gz OAAHUTCVMTWIAQ-UHFFFAOYSA-N 1 2 339.439 3.471 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2nnc(C(C)C)o2)[C@H](C)C1 ZINC001484979039 1395619982 /nfs/dbraw/zinc/61/99/82/1395619982.db2.gz CJXOKIXSBRAUNY-HUUCEWRRSA-N 1 2 348.491 3.264 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2nnc(C(C)C)o2)[C@H](C)C1 ZINC001484979039 1395619986 /nfs/dbraw/zinc/61/99/86/1395619986.db2.gz CJXOKIXSBRAUNY-HUUCEWRRSA-N 1 2 348.491 3.264 10 30 EGEELO CC[C@@H](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001485501694 1395981860 /nfs/dbraw/zinc/98/18/60/1395981860.db2.gz AGVYJBIHTAHAHY-KGLIPLIRSA-N 1 2 331.435 3.070 10 30 EGEELO C=CCC(CC=C)C(=O)N1C[C@H]([NH2+][C@H](C)c2nc(C)no2)C(C)(C)C1 ZINC001486234855 1396185678 /nfs/dbraw/zinc/18/56/78/1396185678.db2.gz YKUVFYRIDHSBOV-CJNGLKHVSA-N 1 2 346.475 3.034 10 30 EGEELO CC(C)C#CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ncc(C(C)C)o1 ZINC001501387686 1396192532 /nfs/dbraw/zinc/19/25/32/1396192532.db2.gz VZVAPYKRHRHVSO-DLBZAZTESA-N 1 2 343.471 3.023 10 30 EGEELO CC(C)C#CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ncc(C(C)C)o1 ZINC001501387686 1396192534 /nfs/dbraw/zinc/19/25/34/1396192534.db2.gz VZVAPYKRHRHVSO-DLBZAZTESA-N 1 2 343.471 3.023 10 30 EGEELO C=CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nc(C(C)C)no1 ZINC001501394299 1396194596 /nfs/dbraw/zinc/19/45/96/1396194596.db2.gz HBQZQJMEZGZVLU-HOTGVXAUSA-N 1 2 346.475 3.115 10 30 EGEELO C=CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nc(C(C)C)no1 ZINC001501394299 1396194598 /nfs/dbraw/zinc/19/45/98/1396194598.db2.gz HBQZQJMEZGZVLU-HOTGVXAUSA-N 1 2 346.475 3.115 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@@H](C)C2)CCC1 ZINC001502987784 1396238304 /nfs/dbraw/zinc/23/83/04/1396238304.db2.gz MUCRZYUWYGMQBC-JKSUJKDBSA-N 1 2 345.487 3.453 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(CC)o3)[C@@H](C)C2)CCC1 ZINC001502987784 1396238305 /nfs/dbraw/zinc/23/83/05/1396238305.db2.gz MUCRZYUWYGMQBC-JKSUJKDBSA-N 1 2 345.487 3.453 10 30 EGEELO C#CCCCCC(=O)NC1C[NH+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC001494372011 1396437828 /nfs/dbraw/zinc/43/78/28/1396437828.db2.gz DWGMSZWRLDMYCT-IBGZPJMESA-N 1 2 328.431 3.197 10 30 EGEELO C[C@H](c1cc(F)ccc1F)[NH+]1CC(CNC(=O)C#CC(C)(C)C)C1 ZINC001494551334 1396465745 /nfs/dbraw/zinc/46/57/45/1396465745.db2.gz BNGAQNLPAQNBGD-CYBMUJFWSA-N 1 2 334.410 3.123 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC/C=C/C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC001497672361 1396777518 /nfs/dbraw/zinc/77/75/18/1396777518.db2.gz SQWNGAOZHAUPRX-ADJKGBHTSA-N 1 2 348.491 3.292 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)(C)C)[C@H]1C ZINC001689300647 1397026007 /nfs/dbraw/zinc/02/60/07/1397026007.db2.gz YERJDURHDZLJEE-UPJWGTAASA-N 1 2 331.298 3.156 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)(C)C)[C@H]1C ZINC001689300647 1397026029 /nfs/dbraw/zinc/02/60/29/1397026029.db2.gz YERJDURHDZLJEE-UPJWGTAASA-N 1 2 331.298 3.156 10 30 EGEELO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](CC=C(Cl)Cl)[C@@H]1C ZINC001689307686 1397028629 /nfs/dbraw/zinc/02/86/29/1397028629.db2.gz IPBUCELKXYPUGA-DVOMOZLQSA-N 1 2 349.302 3.113 10 30 EGEELO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](CC=C(Cl)Cl)[C@@H]1C ZINC001689307686 1397028634 /nfs/dbraw/zinc/02/86/34/1397028634.db2.gz IPBUCELKXYPUGA-DVOMOZLQSA-N 1 2 349.302 3.113 10 30 EGEELO C=CCCC[N@H+]1CC[C@H](NC(=O)C(F)C(F)(F)F)CC(C)(C)C1 ZINC001689362568 1403698741 /nfs/dbraw/zinc/69/87/41/1403698741.db2.gz BFBIRXRQGWFNFD-QWHCGFSZSA-N 1 2 338.389 3.460 10 30 EGEELO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(F)C(F)(F)F)CC(C)(C)C1 ZINC001689362568 1403698746 /nfs/dbraw/zinc/69/87/46/1403698746.db2.gz BFBIRXRQGWFNFD-QWHCGFSZSA-N 1 2 338.389 3.460 10 30 EGEELO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)CC(C)(C)C1 ZINC001689362568 1403698750 /nfs/dbraw/zinc/69/87/50/1403698750.db2.gz BFBIRXRQGWFNFD-QWHCGFSZSA-N 1 2 338.389 3.460 10 30 EGEELO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)CC(C)(C)C1 ZINC001689362568 1403698754 /nfs/dbraw/zinc/69/87/54/1403698754.db2.gz BFBIRXRQGWFNFD-QWHCGFSZSA-N 1 2 338.389 3.460 10 30 EGEELO C=C1CCC(C(=O)NCCC[N@@H+](C)[C@H](C)c2nc(C3CC3)no2)CC1 ZINC001689834398 1404165348 /nfs/dbraw/zinc/16/53/48/1404165348.db2.gz JMYBPORPSNKNBN-CQSZACIVSA-N 1 2 346.475 3.193 10 30 EGEELO C=C1CCC(C(=O)NCCC[N@H+](C)[C@H](C)c2nc(C3CC3)no2)CC1 ZINC001689834398 1404165351 /nfs/dbraw/zinc/16/53/51/1404165351.db2.gz JMYBPORPSNKNBN-CQSZACIVSA-N 1 2 346.475 3.193 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001690044288 1404279143 /nfs/dbraw/zinc/27/91/43/1404279143.db2.gz HVSXNTBREUQJHI-ZBFHGGJFSA-N 1 2 335.879 3.418 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001690044288 1404279145 /nfs/dbraw/zinc/27/91/45/1404279145.db2.gz HVSXNTBREUQJHI-ZBFHGGJFSA-N 1 2 335.879 3.418 10 30 EGEELO COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001690090305 1404294374 /nfs/dbraw/zinc/29/43/74/1404294374.db2.gz DJQWGDMIELJTQK-INIZCTEOSA-N 1 2 348.874 3.089 10 30 EGEELO COc1ccc(Cl)cc1C[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001690090305 1404294378 /nfs/dbraw/zinc/29/43/78/1404294378.db2.gz DJQWGDMIELJTQK-INIZCTEOSA-N 1 2 348.874 3.089 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2cccc(Cl)c2)C1 ZINC001690114325 1404310721 /nfs/dbraw/zinc/31/07/21/1404310721.db2.gz OBQYUGBNBXCHQN-WBMJQRKESA-N 1 2 341.282 3.462 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2cccc(Cl)c2)C1 ZINC001690114325 1404310724 /nfs/dbraw/zinc/31/07/24/1404310724.db2.gz OBQYUGBNBXCHQN-WBMJQRKESA-N 1 2 341.282 3.462 10 30 EGEELO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ncc(CC)o1 ZINC001690453006 1404579286 /nfs/dbraw/zinc/57/92/86/1404579286.db2.gz PRIKTUNIUUYYOY-JKSUJKDBSA-N 1 2 333.476 3.310 10 30 EGEELO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ncc(CC)o1 ZINC001690453006 1404579291 /nfs/dbraw/zinc/57/92/91/1404579291.db2.gz PRIKTUNIUUYYOY-JKSUJKDBSA-N 1 2 333.476 3.310 10 30 EGEELO C=C1CC(C)(C(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001725503473 1426185148 /nfs/dbraw/zinc/18/51/48/1426185148.db2.gz BPJMRLOKLSIIPC-KGLIPLIRSA-N 1 2 334.464 3.047 10 30 EGEELO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cc(F)cc(F)c2)C1 ZINC001691058003 1404978915 /nfs/dbraw/zinc/97/89/15/1404978915.db2.gz GONYQPDDWCBZHR-KRWDZBQOSA-N 1 2 334.410 3.354 10 30 EGEELO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cc(F)cc(F)c2)C1 ZINC001691058003 1404978920 /nfs/dbraw/zinc/97/89/20/1404978920.db2.gz GONYQPDDWCBZHR-KRWDZBQOSA-N 1 2 334.410 3.354 10 30 EGEELO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cnc(Cl)s1 ZINC001691082878 1405016911 /nfs/dbraw/zinc/01/69/11/1405016911.db2.gz OGAGAVJBGOPQCN-GFCCVEGCSA-N 1 2 327.881 3.233 10 30 EGEELO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1cnc(Cl)s1 ZINC001691082878 1405016918 /nfs/dbraw/zinc/01/69/18/1405016918.db2.gz OGAGAVJBGOPQCN-GFCCVEGCSA-N 1 2 327.881 3.233 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2F)[C@H]1C ZINC001691723343 1405447685 /nfs/dbraw/zinc/44/76/85/1405447685.db2.gz YSPPEBJEKDJGLU-QEORTHHSSA-N 1 2 338.854 3.336 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2F)[C@H]1C ZINC001691723343 1405447686 /nfs/dbraw/zinc/44/76/86/1405447686.db2.gz YSPPEBJEKDJGLU-QEORTHHSSA-N 1 2 338.854 3.336 10 30 EGEELO C#CCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC001691784493 1405492581 /nfs/dbraw/zinc/49/25/81/1405492581.db2.gz DHDWBRPAFXTMFH-SFHVURJKSA-N 1 2 343.471 3.168 10 30 EGEELO C#CCCCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1coc(C2CC2)n1 ZINC001691784493 1405492585 /nfs/dbraw/zinc/49/25/85/1405492585.db2.gz DHDWBRPAFXTMFH-SFHVURJKSA-N 1 2 343.471 3.168 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@H]([NH2+][C@@H](C)c1cnccn1)c1ccccc1 ZINC001691791367 1405501408 /nfs/dbraw/zinc/50/14/08/1405501408.db2.gz DVDQYODMLISJSI-MAUKXSAKSA-N 1 2 338.455 3.197 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](Cc2nccc(C)n2)[C@@H]1CC ZINC001691980358 1405694458 /nfs/dbraw/zinc/69/44/58/1405694458.db2.gz LTSNXEQFBUDHMT-ZWKOTPCHSA-N 1 2 342.487 3.023 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2nccc(C)n2)[C@@H]1CC ZINC001691980358 1405694460 /nfs/dbraw/zinc/69/44/60/1405694460.db2.gz LTSNXEQFBUDHMT-ZWKOTPCHSA-N 1 2 342.487 3.023 10 30 EGEELO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC001692182634 1405826531 /nfs/dbraw/zinc/82/65/31/1405826531.db2.gz LACNAXWFQGADCR-JKSUJKDBSA-N 1 2 345.487 3.101 10 30 EGEELO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC001692182634 1405826538 /nfs/dbraw/zinc/82/65/38/1405826538.db2.gz LACNAXWFQGADCR-JKSUJKDBSA-N 1 2 345.487 3.101 10 30 EGEELO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2csc(CC)n2)[C@@H]1C ZINC001692190795 1405829805 /nfs/dbraw/zinc/82/98/05/1405829805.db2.gz IIXQKVSRLVOFTH-WBVHZDCISA-N 1 2 347.528 3.368 10 30 EGEELO C#CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2csc(CC)n2)[C@@H]1C ZINC001692190795 1405829810 /nfs/dbraw/zinc/82/98/10/1405829810.db2.gz IIXQKVSRLVOFTH-WBVHZDCISA-N 1 2 347.528 3.368 10 30 EGEELO C=CC(C)(C)CC(=O)NC1C[NH+](CCCOc2c(C)cccc2C)C1 ZINC001692199635 1405836953 /nfs/dbraw/zinc/83/69/53/1405836953.db2.gz CGQYBCXRCBBISN-UHFFFAOYSA-N 1 2 344.499 3.475 10 30 EGEELO CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001698559540 1406158476 /nfs/dbraw/zinc/15/84/76/1406158476.db2.gz CDCJBDVLUDCCTA-QWHCGFSZSA-N 1 2 326.378 3.390 10 30 EGEELO CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001698559540 1406158480 /nfs/dbraw/zinc/15/84/80/1406158480.db2.gz CDCJBDVLUDCCTA-QWHCGFSZSA-N 1 2 326.378 3.390 10 30 EGEELO Cc1csc(C[NH2+][C@H](CNC(=O)C#CC(C)C)c2ccccc2)n1 ZINC001732019913 1428236667 /nfs/dbraw/zinc/23/66/67/1428236667.db2.gz NFINXCOCVVCJDT-QGZVFWFLSA-N 1 2 341.480 3.058 10 30 EGEELO C=C(C)C(C)(C)C(=O)NC[C@@H](CC)[NH2+]Cc1nc(C2CCCC2)no1 ZINC001698607857 1406236938 /nfs/dbraw/zinc/23/69/38/1406236938.db2.gz DXDDWHCAXXYARU-OAHLLOKOSA-N 1 2 348.491 3.314 10 30 EGEELO C[C@H]1CCC[C@@]1(C)C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001732133144 1428379319 /nfs/dbraw/zinc/37/93/19/1428379319.db2.gz FDCIADBJUIRJQB-VBKZILBWSA-N 1 2 343.446 3.072 10 30 EGEELO CC(C)C[C@@H](C)CC(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001732137342 1428383112 /nfs/dbraw/zinc/38/31/12/1428383112.db2.gz GUNSCVYPUOPHOC-QGZVFWFLSA-N 1 2 344.474 3.298 10 30 EGEELO C=C1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2noc(C3CCC3)n2)CC1 ZINC001699130630 1412525072 /nfs/dbraw/zinc/52/50/72/1412525072.db2.gz DYRLITVSRMMLKL-AWEZNQCLSA-N 1 2 346.475 3.068 10 30 EGEELO C=C1CCC(C(=O)N[C@H](C)C[NH2+][C@@H](C)c2nnc(CC(C)C)o2)CC1 ZINC001699379177 1412687047 /nfs/dbraw/zinc/68/70/47/1412687047.db2.gz YXBHPHDHBOQKMJ-CABCVRRESA-N 1 2 348.491 3.170 10 30 EGEELO C=CCC1(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2nc(C3CC3)no2)CCCC1 ZINC001699434819 1412755108 /nfs/dbraw/zinc/75/51/08/1412755108.db2.gz XCISJXRHIPQVBO-UONOGXRCSA-N 1 2 346.475 3.239 10 30 EGEELO Cc1cc(C(=O)N[C@H](C)C[N@H+](C)Cc2cc(F)ccc2C#N)c(C)o1 ZINC001699438974 1412763163 /nfs/dbraw/zinc/76/31/63/1412763163.db2.gz IVQQQOOUIBPGJX-GFCCVEGCSA-N 1 2 343.402 3.158 10 30 EGEELO Cc1cc(C(=O)N[C@H](C)C[N@@H+](C)Cc2cc(F)ccc2C#N)c(C)o1 ZINC001699438974 1412763167 /nfs/dbraw/zinc/76/31/67/1412763167.db2.gz IVQQQOOUIBPGJX-GFCCVEGCSA-N 1 2 343.402 3.158 10 30 EGEELO CCC(=CC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N)CC ZINC001699446564 1412781043 /nfs/dbraw/zinc/78/10/43/1412781043.db2.gz WTIFKASXTUMPTH-AWEZNQCLSA-N 1 2 331.435 3.380 10 30 EGEELO CCC(=CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N)CC ZINC001699446564 1412781046 /nfs/dbraw/zinc/78/10/46/1412781046.db2.gz WTIFKASXTUMPTH-AWEZNQCLSA-N 1 2 331.435 3.380 10 30 EGEELO O=C(C[C@@H]1CCCC1(F)F)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001699630489 1413001014 /nfs/dbraw/zinc/00/10/14/1413001014.db2.gz ORXQHEUQBRIDHL-ZWKOTPCHSA-N 1 2 346.421 3.054 10 30 EGEELO O=C(C[C@@H]1CCCC1(F)F)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001699630489 1413001017 /nfs/dbraw/zinc/00/10/17/1413001017.db2.gz ORXQHEUQBRIDHL-ZWKOTPCHSA-N 1 2 346.421 3.054 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@H]2CC[N@H+]2Cc2oc(C(C)C)nc2C)C1 ZINC001699634202 1413007010 /nfs/dbraw/zinc/00/70/10/1413007010.db2.gz OSJFRITWABEHCT-OAHLLOKOSA-N 1 2 331.460 3.153 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@H]2CC[N@@H+]2Cc2oc(C(C)C)nc2C)C1 ZINC001699634202 1413007013 /nfs/dbraw/zinc/00/70/13/1413007013.db2.gz OSJFRITWABEHCT-OAHLLOKOSA-N 1 2 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341.480 3.192 10 30 EGEELO C=CCN(C)c1nnc(CC(C)(C)C)n1CCCNc1cccc[nH+]1 ZINC001760463990 1441369138 /nfs/dbraw/zinc/36/91/38/1441369138.db2.gz VPHYNDRXPFCTFS-UHFFFAOYSA-N 1 2 342.491 3.386 10 30 EGEELO Cc1nn(CCC[C@@](C)(C#N)[NH2+]C(C)C)c(C)c1Br ZINC000050594800 214060244 /nfs/dbraw/zinc/06/02/44/214060244.db2.gz FKZAGTVRNXVLLD-AWEZNQCLSA-N 1 2 327.270 3.323 10 30 EGEELO O=C(Cc1nc2ccccc2[nH]c1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000022115310 212277696 /nfs/dbraw/zinc/27/76/96/212277696.db2.gz CKIZOPVKGIFGOZ-BOPFTXTBSA-N 1 2 330.347 3.003 10 30 EGEELO C=CCNc1nc2c(cnn2C)c(NCc2cccc(Cl)c2)[nH+]1 ZINC000021930232 212264455 /nfs/dbraw/zinc/26/44/55/212264455.db2.gz CPLBSPWJCWMANA-UHFFFAOYSA-N 1 2 328.807 3.227 10 30 EGEELO N#Cc1cccc(NC(=O)C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000171619065 144008084 /nfs/dbraw/zinc/00/80/84/144008084.db2.gz RBPVDJHAFFBKOQ-UHFFFAOYSA-N 1 2 330.391 3.036 10 30 EGEELO N#Cc1cccc(NC(=O)C[N@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000171619065 144008086 /nfs/dbraw/zinc/00/80/86/144008086.db2.gz RBPVDJHAFFBKOQ-UHFFFAOYSA-N 1 2 330.391 3.036 10 30 EGEELO N#Cc1ccc2[nH+]cc(CN3CCO[C@@H](CCc4ccccc4)C3)n2c1 ZINC000184245839 144089972 /nfs/dbraw/zinc/08/99/72/144089972.db2.gz HTQDRRUTVXNXIS-FQEVSTJZSA-N 1 2 346.434 3.040 10 30 EGEELO N#Cc1ccc2ncc(C[N@@H+]3CCO[C@@H](CCc4ccccc4)C3)n2c1 ZINC000184245839 144089973 /nfs/dbraw/zinc/08/99/73/144089973.db2.gz HTQDRRUTVXNXIS-FQEVSTJZSA-N 1 2 346.434 3.040 10 30 EGEELO N#Cc1ccc2ncc(C[N@H+]3CCO[C@@H](CCc4ccccc4)C3)n2c1 ZINC000184245839 144089974 /nfs/dbraw/zinc/08/99/74/144089974.db2.gz HTQDRRUTVXNXIS-FQEVSTJZSA-N 1 2 346.434 3.040 10 30 EGEELO COc1cccc([C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)CCO2)c1 ZINC000192076623 153241174 /nfs/dbraw/zinc/24/11/74/153241174.db2.gz NCQMITDNNOZUAZ-IBGZPJMESA-N 1 2 326.371 3.279 10 30 EGEELO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)CCO2)c1 ZINC000192076623 153241179 /nfs/dbraw/zinc/24/11/79/153241179.db2.gz NCQMITDNNOZUAZ-IBGZPJMESA-N 1 2 326.371 3.279 10 30 EGEELO Cc1cc(C#N)cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000339974077 155056737 /nfs/dbraw/zinc/05/67/37/155056737.db2.gz RSOGFUISMRMUOP-UHFFFAOYSA-N 1 2 326.831 3.237 10 30 EGEELO Cn1ncc(NCc2c[nH+]c3ccc(C#N)cn23)c1-c1ccccc1 ZINC000349021213 156321679 /nfs/dbraw/zinc/32/16/79/156321679.db2.gz BZCDWZLXSBKCME-UHFFFAOYSA-N 1 2 328.379 3.219 10 30 EGEELO Cc1nnc(-c2cccc(C#N)c2)n1Cc1cn2c(cccc2C)[nH+]1 ZINC000129325731 162353857 /nfs/dbraw/zinc/35/38/57/162353857.db2.gz LYRVNAAUFICQKO-UHFFFAOYSA-N 1 2 328.379 3.130 10 30 EGEELO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000343717344 164019490 /nfs/dbraw/zinc/01/94/90/164019490.db2.gz QIXINUDODAPGCO-GDBMZVCRSA-N 1 2 347.777 3.119 10 30 EGEELO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000343717344 164019491 /nfs/dbraw/zinc/01/94/91/164019491.db2.gz QIXINUDODAPGCO-GDBMZVCRSA-N 1 2 347.777 3.119 10 30 EGEELO COCc1nc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cs1 ZINC000353252198 165696362 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N#Cc1csc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459656889 270054764 /nfs/dbraw/zinc/05/47/64/270054764.db2.gz WGVQLXSETUBGDP-GFCCVEGCSA-N 1 2 345.390 3.196 10 30 EGEELO N#Cc1csc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459656889 270054765 /nfs/dbraw/zinc/05/47/65/270054765.db2.gz WGVQLXSETUBGDP-GFCCVEGCSA-N 1 2 345.390 3.196 10 30 EGEELO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C12CCC2 ZINC000459362440 267151367 /nfs/dbraw/zinc/15/13/67/267151367.db2.gz JPRDYFNNQQONEW-DLBZAZTESA-N 1 2 329.400 3.246 10 30 EGEELO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C12CCC2 ZINC000459362440 267151369 /nfs/dbraw/zinc/15/13/69/267151369.db2.gz JPRDYFNNQQONEW-DLBZAZTESA-N 1 2 329.400 3.246 10 30 EGEELO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000459322952 267311481 /nfs/dbraw/zinc/31/14/81/267311481.db2.gz IVFVUBUQBBWDLI-LJQANCHMSA-N 1 2 337.379 3.212 10 30 EGEELO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000459322952 267311484 /nfs/dbraw/zinc/31/14/84/267311484.db2.gz IVFVUBUQBBWDLI-LJQANCHMSA-N 1 2 337.379 3.212 10 30 EGEELO Cc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000301152365 267346697 /nfs/dbraw/zinc/34/66/97/267346697.db2.gz NURJBRVNAUMINJ-UHFFFAOYSA-N 1 2 336.443 3.256 10 30 EGEELO Cc1nc(F)ccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000278427328 268010953 /nfs/dbraw/zinc/01/09/53/268010953.db2.gz JLQQKJFJWMUOIH-UHFFFAOYSA-N 1 2 338.430 3.109 10 30 EGEELO Cc1nc(F)ccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000278427328 268010955 /nfs/dbraw/zinc/01/09/55/268010955.db2.gz JLQQKJFJWMUOIH-UHFFFAOYSA-N 1 2 338.430 3.109 10 30 EGEELO N#Cc1c(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cn2ccccc12 ZINC000451264824 268158855 /nfs/dbraw/zinc/15/88/55/268158855.db2.gz NMHOVPLJVVQQQY-PZJWPPBQSA-N 1 2 349.409 3.111 10 30 EGEELO N#Cc1c(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cn2ccccc12 ZINC000451264824 268158856 /nfs/dbraw/zinc/15/88/56/268158856.db2.gz NMHOVPLJVVQQQY-PZJWPPBQSA-N 1 2 349.409 3.111 10 30 EGEELO N#Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(OC(F)F)c1 ZINC000437429708 268221350 /nfs/dbraw/zinc/22/13/50/268221350.db2.gz HAVSIXFRJSFEIY-UHFFFAOYSA-N 1 2 343.377 3.482 10 30 EGEELO Cc1cc(Cl)ccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000136147386 307709513 /nfs/dbraw/zinc/70/95/13/307709513.db2.gz JIBXTGKTQOSRLD-UHFFFAOYSA-N 1 2 326.831 3.237 10 30 EGEELO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000548479957 315014791 /nfs/dbraw/zinc/01/47/91/315014791.db2.gz TYOOPOKKUDVLTD-CQSZACIVSA-N 1 2 326.831 3.490 10 30 EGEELO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000179911074 323411708 /nfs/dbraw/zinc/41/17/08/323411708.db2.gz XQEGZKJSLLRJGW-NSHDSACASA-N 1 2 345.374 3.205 10 30 EGEELO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000579255085 325085309 /nfs/dbraw/zinc/08/53/09/325085309.db2.gz MHIXONAHPMLDDI-FPOVZHCZSA-N 1 2 349.409 3.234 10 30 EGEELO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000579255085 325085310 /nfs/dbraw/zinc/08/53/10/325085310.db2.gz MHIXONAHPMLDDI-FPOVZHCZSA-N 1 2 349.409 3.234 10 30 EGEELO N#Cc1cc(NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000157682422 455220647 /nfs/dbraw/zinc/22/06/47/455220647.db2.gz OPWYMTOESNWOMF-UHFFFAOYSA-N 1 2 333.351 3.323 10 30 EGEELO C=CCn1c(SCc2c[nH+]c3ccccn23)nnc1-c1ccncc1 ZINC000183176627 455244952 /nfs/dbraw/zinc/24/49/52/455244952.db2.gz DPZYZWHASGSLFN-UHFFFAOYSA-N 1 2 348.435 3.466 10 30 EGEELO N#Cc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000006831681 452996550 /nfs/dbraw/zinc/99/65/50/452996550.db2.gz RRGJHMKPFZHLRO-UHFFFAOYSA-N 1 2 349.415 3.349 10 30 EGEELO CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245578740 455333549 /nfs/dbraw/zinc/33/35/49/455333549.db2.gz GGRPOKAJGOZFQV-LSDHHAIUSA-N 1 2 337.826 3.280 10 30 EGEELO CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245578740 455333553 /nfs/dbraw/zinc/33/35/53/455333553.db2.gz GGRPOKAJGOZFQV-LSDHHAIUSA-N 1 2 337.826 3.280 10 30 EGEELO C=C(C)COc1cccc(NC(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000067319415 453921001 /nfs/dbraw/zinc/92/10/01/453921001.db2.gz CPGZDXWEXXDRKX-UHFFFAOYSA-N 1 2 340.427 3.424 10 30 EGEELO C=CCCCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000077548587 454120877 /nfs/dbraw/zinc/12/08/77/454120877.db2.gz QFSQSUQCGZUFBA-KRWDZBQOSA-N 1 2 342.443 3.126 10 30 EGEELO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1cn2ccccc2c1C#N ZINC000078389882 454246247 /nfs/dbraw/zinc/24/62/47/454246247.db2.gz GRTSNOQTIGGYNF-CQSZACIVSA-N 1 2 345.406 3.002 10 30 EGEELO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000133082020 454390677 /nfs/dbraw/zinc/39/06/77/454390677.db2.gz PVVLVWBVJGYMKZ-DLBZAZTESA-N 1 2 337.414 3.318 10 30 EGEELO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000133082020 454390679 /nfs/dbraw/zinc/39/06/79/454390679.db2.gz PVVLVWBVJGYMKZ-DLBZAZTESA-N 1 2 337.414 3.318 10 30 EGEELO C=CCOc1ccc(C[NH+]2CCN(c3cccnn3)CC2)cc1Cl ZINC000127923256 455010429 /nfs/dbraw/zinc/01/04/29/455010429.db2.gz IVDMKICPHPZVCF-UHFFFAOYSA-N 1 2 344.846 3.017 10 30 EGEELO N#Cc1ccc2[nH+]cc(CNc3cccc(Cn4cccn4)c3)n2c1 ZINC000156480836 455123690 /nfs/dbraw/zinc/12/36/90/455123690.db2.gz VIVYZHKFQQOCRE-UHFFFAOYSA-N 1 2 328.379 3.063 10 30 EGEELO C=CC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000180127351 455136502 /nfs/dbraw/zinc/13/65/02/455136502.db2.gz XVDAYIIHKUMJFT-FRIKZZABSA-N 1 2 339.527 3.422 10 30 EGEELO Cc1ccc(C#N)cc1NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000183010787 455209718 /nfs/dbraw/zinc/20/97/18/455209718.db2.gz PMPVXPZONUJOAT-UHFFFAOYSA-N 1 2 337.427 3.314 10 30 EGEELO C=C(C)CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000181078532 455284245 /nfs/dbraw/zinc/28/42/45/455284245.db2.gz ASMGANITIDJMRL-AWEZNQCLSA-N 1 2 337.414 3.147 10 30 EGEELO C=C(C)CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000181078532 455284249 /nfs/dbraw/zinc/28/42/49/455284249.db2.gz ASMGANITIDJMRL-AWEZNQCLSA-N 1 2 337.414 3.147 10 30 EGEELO Cc1nnc([C@@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)c2ccccc2)[nH]1 ZINC000181671687 455371172 /nfs/dbraw/zinc/37/11/72/455371172.db2.gz IZUHCTMGZZNKKW-KUHUBIRLSA-N 1 2 347.422 3.456 10 30 EGEELO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](c3cnn(CC)c3)C2)c1 ZINC000191716895 455512649 /nfs/dbraw/zinc/51/26/49/455512649.db2.gz PJNHLCKOVQQXCG-LJQANCHMSA-N 1 2 327.428 3.041 10 30 EGEELO C=CCOc1cccc(C[N@H+]2CCO[C@@H](c3cnn(CC)c3)C2)c1 ZINC000191716895 455512653 /nfs/dbraw/zinc/51/26/53/455512653.db2.gz PJNHLCKOVQQXCG-LJQANCHMSA-N 1 2 327.428 3.041 10 30 EGEELO C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000185232837 455526825 /nfs/dbraw/zinc/52/68/25/455526825.db2.gz LZIZDXADHCPUDO-MJGOQNOKSA-N 1 2 330.472 3.087 10 30 EGEELO Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000284464977 455690955 /nfs/dbraw/zinc/69/09/55/455690955.db2.gz AWDGNFDSPNEYIP-QGZVFWFLSA-N 1 2 338.411 3.049 10 30 EGEELO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1cc(C#N)cs1)CCCC2 ZINC000284537754 455702064 /nfs/dbraw/zinc/70/20/64/455702064.db2.gz GZEKFBJRHGDKMM-HNNXBMFYSA-N 1 2 340.452 3.209 10 30 EGEELO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1ccc(CC#N)cc1)CCCC2 ZINC000284673177 455724688 /nfs/dbraw/zinc/72/46/88/455724688.db2.gz RAHIPLSATPOQAI-IBGZPJMESA-N 1 2 348.450 3.342 10 30 EGEELO COC(=O)[C@@]1(C)CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000186389485 455759113 /nfs/dbraw/zinc/75/91/13/455759113.db2.gz SSKRYTOTJATNDC-MRXNPFEDSA-N 1 2 325.330 3.084 10 30 EGEELO COC(=O)[C@@]1(C)CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000186389485 455759118 /nfs/dbraw/zinc/75/91/18/455759118.db2.gz SSKRYTOTJATNDC-MRXNPFEDSA-N 1 2 325.330 3.084 10 30 EGEELO C=CCC1(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)CCC1 ZINC000249711807 455769051 /nfs/dbraw/zinc/76/90/51/455769051.db2.gz YREUYNILGJWMKL-HZPDHXFCSA-N 1 2 348.512 3.373 10 30 EGEELO C=CCC1(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)CCC1 ZINC000249711807 455769055 /nfs/dbraw/zinc/76/90/55/455769055.db2.gz YREUYNILGJWMKL-HZPDHXFCSA-N 1 2 348.512 3.373 10 30 EGEELO CCC(CC)CN(CCC#N)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272208112 455877045 /nfs/dbraw/zinc/87/70/45/455877045.db2.gz DZTNNCAUBSBCJL-UHFFFAOYSA-N 1 2 325.416 3.059 10 30 EGEELO C#CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000270171783 455893754 /nfs/dbraw/zinc/89/37/54/455893754.db2.gz BRSOZDHMOFRRFB-NEWSRXKRSA-N 1 2 336.439 3.240 10 30 EGEELO CCOc1cc(C[N@H+](C)[C@H](C)CC#N)cc(Br)c1O ZINC000297863435 456312871 /nfs/dbraw/zinc/31/28/71/456312871.db2.gz PIAURCLTFCDNJG-SNVBAGLBSA-N 1 2 327.222 3.287 10 30 EGEELO CCOc1cc(C[N@@H+](C)[C@H](C)CC#N)cc(Br)c1O ZINC000297863435 456312875 /nfs/dbraw/zinc/31/28/75/456312875.db2.gz PIAURCLTFCDNJG-SNVBAGLBSA-N 1 2 327.222 3.287 10 30 EGEELO COc1cccc([C@H]2C[C@H](O)C[N@@H+]2Cc2cc(F)ccc2C#N)c1 ZINC000282434655 456513619 /nfs/dbraw/zinc/51/36/19/456513619.db2.gz ZDKDEJWWPRWJTH-PKOBYXMFSA-N 1 2 326.371 3.014 10 30 EGEELO COc1cccc([C@H]2C[C@H](O)C[N@H+]2Cc2cc(F)ccc2C#N)c1 ZINC000282434655 456513627 /nfs/dbraw/zinc/51/36/27/456513627.db2.gz ZDKDEJWWPRWJTH-PKOBYXMFSA-N 1 2 326.371 3.014 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H]1c1ccncc1)CCC2 ZINC000328653105 456728896 /nfs/dbraw/zinc/72/88/96/456728896.db2.gz KVKCBMOLBARNQR-DLBZAZTESA-N 1 2 339.443 3.215 10 30 EGEELO CC[C@H](NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)c1nc(C)cs1 ZINC000328705289 456740886 /nfs/dbraw/zinc/74/08/86/456740886.db2.gz LCDAWBKMARAFDG-KGLIPLIRSA-N 1 2 347.488 3.489 10 30 EGEELO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328709811 456742814 /nfs/dbraw/zinc/74/28/14/456742814.db2.gz QVGIAZKHCBMHRO-JSGCOSHPSA-N 1 2 334.370 3.475 10 30 EGEELO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328709811 456742821 /nfs/dbraw/zinc/74/28/21/456742821.db2.gz QVGIAZKHCBMHRO-JSGCOSHPSA-N 1 2 334.370 3.475 10 30 EGEELO Cc1csc(C2([NH2+][C@@H](C)C(=O)Nc3c(C)nn(C)c3C)CCC2)n1 ZINC000328957505 456800307 /nfs/dbraw/zinc/80/03/07/456800307.db2.gz ZSMMOKQBSATGCS-LBPRGKRZSA-N 1 2 347.488 3.447 10 30 EGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC[C@H]1CC=CCC1)C2 ZINC000329264633 456864491 /nfs/dbraw/zinc/86/44/91/456864491.db2.gz GTUCIUWNUISFKE-GJZGRUSLSA-N 1 2 330.476 3.355 10 30 EGEELO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cc4sccc4s3)CC2)C1 ZINC000339019833 456903163 /nfs/dbraw/zinc/90/31/63/456903163.db2.gz ICLNMSVTYYUOPZ-QWHCGFSZSA-N 1 2 345.493 3.413 10 30 EGEELO N#Cc1cscc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000349211793 456914303 /nfs/dbraw/zinc/91/43/03/456914303.db2.gz YERZFSOQZMPYSW-UHFFFAOYSA-N 1 2 345.855 3.061 10 30 EGEELO N#Cc1cscc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000349211793 456914307 /nfs/dbraw/zinc/91/43/07/456914307.db2.gz YERZFSOQZMPYSW-UHFFFAOYSA-N 1 2 345.855 3.061 10 30 EGEELO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@@]2(CC=CCC2)C1 ZINC000329716600 456930504 /nfs/dbraw/zinc/93/05/04/456930504.db2.gz WQJYWFSNENDQKN-IBGZPJMESA-N 1 2 328.460 3.456 10 30 EGEELO C=CC[C@@H](CO)NC(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000349834224 457070560 /nfs/dbraw/zinc/07/05/60/457070560.db2.gz MYFLZCXXXWQEPQ-KRWDZBQOSA-N 1 2 342.443 3.409 10 30 EGEELO CCN(CC#N)C(=O)[C@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000346667528 457103673 /nfs/dbraw/zinc/10/36/73/457103673.db2.gz RAQKZCXKMYHMJA-INIZCTEOSA-N 1 2 337.826 3.378 10 30 EGEELO Cc1cc(C#N)nc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000342198571 457163838 /nfs/dbraw/zinc/16/38/38/457163838.db2.gz GZIUULFFJMXDEN-CYBMUJFWSA-N 1 2 343.381 3.011 10 30 EGEELO Cc1cc(C#N)nc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000342198571 457163843 /nfs/dbraw/zinc/16/38/43/457163843.db2.gz GZIUULFFJMXDEN-CYBMUJFWSA-N 1 2 343.381 3.011 10 30 EGEELO N#Cc1ccc(OC2CC[NH+](Cc3cn4ccsc4n3)CC2)cc1 ZINC000362963859 457177752 /nfs/dbraw/zinc/17/77/52/457177752.db2.gz FJVLFBUXZGBJCL-UHFFFAOYSA-N 1 2 338.436 3.311 10 30 EGEELO C=C[C@@H]1OCC[C@H]1CNC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000424934461 457381373 /nfs/dbraw/zinc/38/13/73/457381373.db2.gz VGVRTUQTXSMIIS-YJBOKZPZSA-N 1 2 341.455 3.086 10 30 EGEELO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373972752 457421937 /nfs/dbraw/zinc/42/19/37/457421937.db2.gz AEKMLZRDCAREIK-LBTNJELSSA-N 1 2 334.847 3.370 10 30 EGEELO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373972752 457421945 /nfs/dbraw/zinc/42/19/45/457421945.db2.gz AEKMLZRDCAREIK-LBTNJELSSA-N 1 2 334.847 3.370 10 30 EGEELO Cc1sc(NC(=O)C[N@@H+](C)Cc2cnccc2C)c(C#N)c1C ZINC000361410296 457722019 /nfs/dbraw/zinc/72/20/19/457722019.db2.gz MFKKGEONULDRRB-UHFFFAOYSA-N 1 2 328.441 3.011 10 30 EGEELO Cc1sc(NC(=O)C[N@H+](C)Cc2cnccc2C)c(C#N)c1C ZINC000361410296 457722022 /nfs/dbraw/zinc/72/20/22/457722022.db2.gz MFKKGEONULDRRB-UHFFFAOYSA-N 1 2 328.441 3.011 10 30 EGEELO Cc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)nc(N2CCCC2)n1 ZINC000426308221 457804461 /nfs/dbraw/zinc/80/44/61/457804461.db2.gz CTFQLBVHGQKQGJ-CQSZACIVSA-N 1 2 339.418 3.247 10 30 EGEELO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H](C)[C@H](C)O1 ZINC000446069562 458136806 /nfs/dbraw/zinc/13/68/06/458136806.db2.gz LCEXMRDTSHJSMH-KFWWJZLASA-N 1 2 349.862 3.084 10 30 EGEELO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H](C)[C@H](C)O1 ZINC000446069562 458136811 /nfs/dbraw/zinc/13/68/11/458136811.db2.gz LCEXMRDTSHJSMH-KFWWJZLASA-N 1 2 349.862 3.084 10 30 EGEELO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)[C@H](C)O1 ZINC000446082824 458142843 /nfs/dbraw/zinc/14/28/43/458142843.db2.gz YWFBKBZROWIIBZ-PMPSAXMXSA-N 1 2 339.439 3.235 10 30 EGEELO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)[C@H](C)O1 ZINC000446082824 458142850 /nfs/dbraw/zinc/14/28/50/458142850.db2.gz YWFBKBZROWIIBZ-PMPSAXMXSA-N 1 2 339.439 3.235 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419287404 458380782 /nfs/dbraw/zinc/38/07/82/458380782.db2.gz QBYUJRMSBQBUOX-LPHOPBHVSA-N 1 2 349.425 3.026 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419287404 458380784 /nfs/dbraw/zinc/38/07/84/458380784.db2.gz QBYUJRMSBQBUOX-LPHOPBHVSA-N 1 2 349.425 3.026 10 30 EGEELO CC[N@@H+]1CC[C@@H](Nc2cncc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000420619360 458398873 /nfs/dbraw/zinc/39/88/73/458398873.db2.gz YHIJGDFSVNVUMQ-PBHICJAKSA-N 1 2 347.344 3.013 10 30 EGEELO CC[N@H+]1CC[C@@H](Nc2cncc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000420619360 458398877 /nfs/dbraw/zinc/39/88/77/458398877.db2.gz YHIJGDFSVNVUMQ-PBHICJAKSA-N 1 2 347.344 3.013 10 30 EGEELO C=CCc1cc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)OC)cc(OC)c1O ZINC000430198639 458419472 /nfs/dbraw/zinc/41/94/72/458419472.db2.gz ZGSVKOQLCYQYHQ-INIZCTEOSA-N 1 2 335.444 3.149 10 30 EGEELO C=CCc1cc(C[N@H+](C)[C@@H](CC(C)C)C(=O)OC)cc(OC)c1O ZINC000430198639 458419475 /nfs/dbraw/zinc/41/94/75/458419475.db2.gz ZGSVKOQLCYQYHQ-INIZCTEOSA-N 1 2 335.444 3.149 10 30 EGEELO Cc1ccccc1[C@]1(F)CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000502945647 458683561 /nfs/dbraw/zinc/68/35/61/458683561.db2.gz ZEZFDTHKSIMHAC-FQEVSTJZSA-N 1 2 337.398 3.376 10 30 EGEELO Cc1ccccc1[C@]1(F)CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000502945647 458683569 /nfs/dbraw/zinc/68/35/69/458683569.db2.gz ZEZFDTHKSIMHAC-FQEVSTJZSA-N 1 2 337.398 3.376 10 30 EGEELO C[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000440323656 458804241 /nfs/dbraw/zinc/80/42/41/458804241.db2.gz APDQADLDHSIJFA-LJQANCHMSA-N 1 2 338.838 3.429 10 30 EGEELO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000440323656 458804246 /nfs/dbraw/zinc/80/42/46/458804246.db2.gz APDQADLDHSIJFA-LJQANCHMSA-N 1 2 338.838 3.429 10 30 EGEELO C=CCCN(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000467083904 458951293 /nfs/dbraw/zinc/95/12/93/458951293.db2.gz IDFYPOJXYKPMKZ-SFHVURJKSA-N 1 2 326.444 3.459 10 30 EGEELO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000594615087 459114951 /nfs/dbraw/zinc/11/49/51/459114951.db2.gz RFFFDELAYXGGLY-AWEZNQCLSA-N 1 2 336.391 3.014 10 30 EGEELO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000594615087 459114959 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C=CC(C)(C)C(=O)NC[C@H]1COCC[N@H+]1CC/C=C\c1ccccc1 ZINC001700119264 1413534626 /nfs/dbraw/zinc/53/46/26/1413534626.db2.gz KLMKPTIUDMTMRV-ICEKFOEVSA-N 1 2 342.483 3.119 10 30 EGEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@]1(C)CCC(C)=C(C)C1)O2 ZINC001700239696 1413692435 /nfs/dbraw/zinc/69/24/35/1413692435.db2.gz WTXSQEVQLYXRHR-IEBWSBKVSA-N 1 2 332.488 3.049 10 30 EGEELO C=CCC1(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cnsn3)C2)CCCCC1 ZINC001700275677 1413720824 /nfs/dbraw/zinc/72/08/24/1413720824.db2.gz DQADVSKNSGODGQ-GOEBONIOSA-N 1 2 348.516 3.001 10 30 EGEELO CC/C(C)=C\C(=O)N[C@H](C)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC001700537441 1414204734 /nfs/dbraw/zinc/20/47/34/1414204734.db2.gz DMXFAYDQRFQYAS-RTYFKUQISA-N 1 2 344.886 3.484 10 30 EGEELO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001732586561 1428800491 /nfs/dbraw/zinc/80/04/91/1428800491.db2.gz KGXHOAAZPMQQSP-FFZOFVMBSA-N 1 2 339.483 3.275 10 30 EGEELO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001732586561 1428800494 /nfs/dbraw/zinc/80/04/94/1428800494.db2.gz KGXHOAAZPMQQSP-FFZOFVMBSA-N 1 2 339.483 3.275 10 30 EGEELO C[C@@H]1[C@H](NC(=O)C#CC(C)(C)C)CCC[N@@H+]1Cc1ccc(F)cc1F ZINC001700880177 1414536412 /nfs/dbraw/zinc/53/64/12/1414536412.db2.gz WOIAKIAUWLEBDW-RDTXWAMCSA-N 1 2 348.437 3.483 10 30 EGEELO C[C@@H]1[C@H](NC(=O)C#CC(C)(C)C)CCC[N@H+]1Cc1ccc(F)cc1F ZINC001700880177 1414536413 /nfs/dbraw/zinc/53/64/13/1414536413.db2.gz WOIAKIAUWLEBDW-RDTXWAMCSA-N 1 2 348.437 3.483 10 30 EGEELO C=CCC1(C(=O)N2C[C@H]([NH2+][C@H](C)c3nc(C)no3)C(C)(C)C2)CCC1 ZINC001700922083 1414574447 /nfs/dbraw/zinc/57/44/47/1414574447.db2.gz PQICEBQTKMAVPJ-HIFRSBDPSA-N 1 2 346.475 3.012 10 30 EGEELO C=C1CCC(C(=O)NC/C=C/C[NH2+][C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001732901974 1429037865 /nfs/dbraw/zinc/03/78/65/1429037865.db2.gz SGHXTBDTAQNFKD-XGACYXMMSA-N 1 2 344.459 3.016 10 30 EGEELO C=C1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2nc(C3CCCC3)no2)CC1 ZINC001733011968 1429131259 /nfs/dbraw/zinc/13/12/59/1429131259.db2.gz VMOQSPYZPDHIOY-AWEZNQCLSA-N 1 2 346.475 3.068 10 30 EGEELO C=CCCC(=O)N[C@H](C)C[N@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC001733030396 1429151029 /nfs/dbraw/zinc/15/10/29/1429151029.db2.gz OHJHTTVFFJQEBY-CQSZACIVSA-N 1 2 333.476 3.092 10 30 EGEELO C=CCCC(=O)N[C@H](C)C[N@@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC001733030396 1429151031 /nfs/dbraw/zinc/15/10/31/1429151031.db2.gz OHJHTTVFFJQEBY-CQSZACIVSA-N 1 2 333.476 3.092 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC001733047854 1429182125 /nfs/dbraw/zinc/18/21/25/1429182125.db2.gz HCSOXFJELVMHOJ-OAHLLOKOSA-N 1 2 332.492 3.147 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC001733047854 1429182127 /nfs/dbraw/zinc/18/21/27/1429182127.db2.gz HCSOXFJELVMHOJ-OAHLLOKOSA-N 1 2 332.492 3.147 10 30 EGEELO CC(C)[C@@H](C)C(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001713056162 1417608959 /nfs/dbraw/zinc/60/89/59/1417608959.db2.gz QWBXRMRCTGRXNO-OAHLLOKOSA-N 1 2 345.462 3.412 10 30 EGEELO CCCN(C(=O)C#CC(C)C)C1CC[NH+](Cc2cscn2)CC1 ZINC001713099592 1417650584 /nfs/dbraw/zinc/65/05/84/1417650584.db2.gz WCJIUKWLTJPICH-UHFFFAOYSA-N 1 2 333.501 3.006 10 30 EGEELO C=CCC1(C(=O)N2CCCC[C@H]2C[NH2+][C@@H](C)c2noc(C)n2)CCC1 ZINC001713266098 1417874711 /nfs/dbraw/zinc/87/47/11/1417874711.db2.gz HNADIYMWGYKSQP-HOCLYGCPSA-N 1 2 346.475 3.156 10 30 EGEELO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(-c2cccs2)on1 ZINC001713500501 1418217400 /nfs/dbraw/zinc/21/74/00/1418217400.db2.gz MGIVIHIDXFRNBO-OAHLLOKOSA-N 1 2 345.468 3.450 10 30 EGEELO C=CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(-c2cccs2)on1 ZINC001713500501 1418217405 /nfs/dbraw/zinc/21/74/05/1418217405.db2.gz MGIVIHIDXFRNBO-OAHLLOKOSA-N 1 2 345.468 3.450 10 30 EGEELO C=C[C@](C)(CC)C(=O)NCC[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001713561838 1418363062 /nfs/dbraw/zinc/36/30/62/1418363062.db2.gz FJSVSEQJBMHLJL-HXUWFJFHSA-N 1 2 343.446 3.380 10 30 EGEELO C=C[C@](C)(CC)C(=O)NCC[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001713561838 1418363066 /nfs/dbraw/zinc/36/30/66/1418363066.db2.gz FJSVSEQJBMHLJL-HXUWFJFHSA-N 1 2 343.446 3.380 10 30 EGEELO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1Cc2c1cccc2Cl)C1CC1 ZINC001713566385 1418377697 /nfs/dbraw/zinc/37/76/97/1418377697.db2.gz VZCFLZBCZIMSOH-OAHLLOKOSA-N 1 2 339.266 3.313 10 30 EGEELO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1Cc2c1cccc2Cl)C1CC1 ZINC001713566385 1418377702 /nfs/dbraw/zinc/37/77/02/1418377702.db2.gz VZCFLZBCZIMSOH-OAHLLOKOSA-N 1 2 339.266 3.313 10 30 EGEELO CCCN(C(=O)C#CC(C)C)[C@@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001713716307 1418481788 /nfs/dbraw/zinc/48/17/88/1418481788.db2.gz NCZCOUMTGVJYCO-QGZVFWFLSA-N 1 2 345.487 3.270 10 30 EGEELO CCCN(C(=O)C#CC(C)C)[C@@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001713716307 1418481790 /nfs/dbraw/zinc/48/17/90/1418481790.db2.gz NCZCOUMTGVJYCO-QGZVFWFLSA-N 1 2 345.487 3.270 10 30 EGEELO C=CC(C)(C)C(=O)N(C)C1CC[NH+](CC(=C)Br)CC1 ZINC001713782382 1418598750 /nfs/dbraw/zinc/59/87/50/1418598750.db2.gz LCOOYBFIWRMAIM-UHFFFAOYSA-N 1 2 329.282 3.030 10 30 EGEELO C=C[C@@H](C(=O)NC1C[NH+](Cc2ccc3c(c2)CCC3)C1)c1ccccc1 ZINC001713878315 1418674748 /nfs/dbraw/zinc/67/47/48/1418674748.db2.gz XLGYPRZBVKKPPX-JOCHJYFZSA-N 1 2 346.474 3.446 10 30 EGEELO CC(C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1)=C1CCCC1 ZINC001713895732 1418692225 /nfs/dbraw/zinc/69/22/25/1418692225.db2.gz YOWSWRVTHSLFDB-UHFFFAOYSA-N 1 2 341.430 3.136 10 30 EGEELO CCC1(C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)CCC1 ZINC001713913308 1418709190 /nfs/dbraw/zinc/70/91/90/1418709190.db2.gz CNAUOUBOLHCBCO-UHFFFAOYSA-N 1 2 344.886 3.320 10 30 EGEELO C=C1CC(C)(C(=O)NCC2C[NH+]([C@@H](C)c3nc4ccccc4o3)C2)C1 ZINC001713916729 1418711716 /nfs/dbraw/zinc/71/17/16/1418711716.db2.gz AREYNSGFEZUGPA-AWEZNQCLSA-N 1 2 339.439 3.293 10 30 EGEELO Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC(C)C ZINC001713931858 1418721881 /nfs/dbraw/zinc/72/18/81/1418721881.db2.gz NVDQNPDMMQNIEU-ROUUACIJSA-N 1 2 330.859 3.093 10 30 EGEELO Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC(C)C ZINC001713931858 1418721883 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CC(C)C#CC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001715008471 1419737352 /nfs/dbraw/zinc/73/73/52/1419737352.db2.gz GDHBTAPONQPKJU-HZPDHXFCSA-N 1 2 345.487 3.225 10 30 EGEELO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001715019404 1419751072 /nfs/dbraw/zinc/75/10/72/1419751072.db2.gz UIZMBOHDHLAIEY-MRXNPFEDSA-N 1 2 343.427 3.324 10 30 EGEELO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001715019404 1419751073 /nfs/dbraw/zinc/75/10/73/1419751073.db2.gz UIZMBOHDHLAIEY-MRXNPFEDSA-N 1 2 343.427 3.324 10 30 EGEELO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001715040566 1419778549 /nfs/dbraw/zinc/77/85/49/1419778549.db2.gz QZMHCGZPHYTQCR-KRWDZBQOSA-N 1 2 331.460 3.331 10 30 EGEELO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001715040566 1419778552 /nfs/dbraw/zinc/77/85/52/1419778552.db2.gz QZMHCGZPHYTQCR-KRWDZBQOSA-N 1 2 331.460 3.331 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)c2c(C)noc2C)C1 ZINC001715046322 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336.863 3.042 10 30 EGEELO C#CCCCC(=O)N(C)CC[N@H+](C)Cc1c(Cl)cccc1OC ZINC001715517253 1420202910 /nfs/dbraw/zinc/20/29/10/1420202910.db2.gz VUTTVTWZANAJPV-UHFFFAOYSA-N 1 2 336.863 3.042 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)CC[N@H+](C)Cc1cnc(Cl)s1 ZINC001715519097 1420205404 /nfs/dbraw/zinc/20/54/04/1420205404.db2.gz HQGJICYATRIPCW-UHFFFAOYSA-N 1 2 329.897 3.289 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)CC[N@@H+](C)Cc1cnc(Cl)s1 ZINC001715519097 1420205405 /nfs/dbraw/zinc/20/54/05/1420205405.db2.gz HQGJICYATRIPCW-UHFFFAOYSA-N 1 2 329.897 3.289 10 30 EGEELO C[C@H]([NH2+]C/C=C/CNC(=O)C#CC(C)(C)C)c1ncc(C(C)(C)C)o1 ZINC001715817465 1420355404 /nfs/dbraw/zinc/35/54/04/1420355404.db2.gz QTIYPPRLZWCZRJ-HVHJFMEUSA-N 1 2 345.487 3.345 10 30 EGEELO CN(CC[N@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001715895997 1420387006 /nfs/dbraw/zinc/38/70/06/1420387006.db2.gz MDJXQSLVXKIFPY-QZTJIDSGSA-N 1 2 345.462 3.270 10 30 EGEELO CN(CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001715895997 1420387008 /nfs/dbraw/zinc/38/70/08/1420387008.db2.gz MDJXQSLVXKIFPY-QZTJIDSGSA-N 1 2 345.462 3.270 10 30 EGEELO C=CC(C)(C)CC(=O)N(CC)CC[NH2+]Cc1nc2c(o1)CCCC2 ZINC001716219263 1420570159 /nfs/dbraw/zinc/57/01/59/1420570159.db2.gz KGUDSSZMUKSDLL-UHFFFAOYSA-N 1 2 333.476 3.094 10 30 EGEELO C=CCC(C)(C)C(=O)NC/C=C\C[NH2+]Cc1csc(Cl)n1 ZINC001716349179 1420613597 /nfs/dbraw/zinc/61/35/97/1420613597.db2.gz KDFPCEQDAVAAAR-WAYWQWQTSA-N 1 2 327.881 3.161 10 30 EGEELO C=CC1(CC(=O)NC/C=C/C[NH2+][C@@H](C)c2ncccn2)CCCCC1 ZINC001716354015 1420615631 /nfs/dbraw/zinc/61/56/31/1420615631.db2.gz XDJIZTOIHBDHQF-OZSKJFCKSA-N 1 2 342.487 3.326 10 30 EGEELO CCC(CC)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001716499620 1420725226 /nfs/dbraw/zinc/72/52/26/1420725226.db2.gz KXIVKFYNSVBJLX-AWEZNQCLSA-N 1 2 333.451 3.460 10 30 EGEELO CCC(CC)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001716499620 1420725228 /nfs/dbraw/zinc/72/52/28/1420725228.db2.gz KXIVKFYNSVBJLX-AWEZNQCLSA-N 1 2 333.451 3.460 10 30 EGEELO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)[C@H](C)c2ncccn2)CCCC1 ZINC001716507987 1420739133 /nfs/dbraw/zinc/73/91/33/1420739133.db2.gz UHDGSHGEVBZLPG-HZPDHXFCSA-N 1 2 330.476 3.111 10 30 EGEELO C=CCC1(C(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c2ncccn2)CCCC1 ZINC001716507987 1420739134 /nfs/dbraw/zinc/73/91/34/1420739134.db2.gz UHDGSHGEVBZLPG-HZPDHXFCSA-N 1 2 330.476 3.111 10 30 EGEELO C=CCCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001716644923 1420799793 /nfs/dbraw/zinc/79/97/93/1420799793.db2.gz FIGCYSMHBYIJFZ-PBHICJAKSA-N 1 2 336.863 3.012 10 30 EGEELO C=CCCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001716644923 1420799794 /nfs/dbraw/zinc/79/97/94/1420799794.db2.gz FIGCYSMHBYIJFZ-PBHICJAKSA-N 1 2 336.863 3.012 10 30 EGEELO Cc1cc(F)c(C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)c(F)c1 ZINC001716715756 1420872089 /nfs/dbraw/zinc/87/20/89/1420872089.db2.gz MAFOBGNXACNZRY-UHFFFAOYSA-N 1 2 347.409 3.113 10 30 EGEELO Cc1cc(F)c(C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)c(F)c1 ZINC001716715756 1420872091 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ZINC000361617953 144338104 /nfs/dbraw/zinc/33/81/04/144338104.db2.gz GOCJLOZKCWBQHD-ZDUSSCGKSA-N 1 2 329.469 3.478 10 30 EGEELO Cn1cc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)c(C(F)(F)F)n1 ZINC000192123513 153242307 /nfs/dbraw/zinc/24/23/07/153242307.db2.gz UIIYRLCGLAZAIU-UHFFFAOYSA-N 1 2 326.297 3.082 10 30 EGEELO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)c(C(F)(F)F)n1 ZINC000192123513 153242311 /nfs/dbraw/zinc/24/23/11/153242311.db2.gz UIIYRLCGLAZAIU-UHFFFAOYSA-N 1 2 326.297 3.082 10 30 EGEELO C[C@H](c1cccc(NC(=O)c2cscc2C#N)c1)[NH+]1CCOCC1 ZINC000339963522 155054348 /nfs/dbraw/zinc/05/43/48/155054348.db2.gz VQOCOAYINWIXGL-CYBMUJFWSA-N 1 2 341.436 3.265 10 30 EGEELO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093480460 162013631 /nfs/dbraw/zinc/01/36/31/162013631.db2.gz OHIUIEAVOMVLPU-KRWDZBQOSA-N 1 2 339.395 3.071 10 30 EGEELO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000093480460 162013633 /nfs/dbraw/zinc/01/36/33/162013633.db2.gz OHIUIEAVOMVLPU-KRWDZBQOSA-N 1 2 339.395 3.071 10 30 EGEELO N#Cc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1Cl ZINC000365932923 168061846 /nfs/dbraw/zinc/06/18/46/168061846.db2.gz ZTIGJMKDFXKIRX-UHFFFAOYSA-N 1 2 329.791 3.346 10 30 EGEELO N#Cc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1Cl ZINC000365932923 168061848 /nfs/dbraw/zinc/06/18/48/168061848.db2.gz ZTIGJMKDFXKIRX-UHFFFAOYSA-N 1 2 329.791 3.346 10 30 EGEELO COc1ccc(OC)c(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000367139686 168183707 /nfs/dbraw/zinc/18/37/07/168183707.db2.gz JSLJADHFMJGTSP-HXUWFJFHSA-N 1 2 338.407 3.149 10 30 EGEELO COc1ccc(OC)c(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000367139686 168183709 /nfs/dbraw/zinc/18/37/09/168183709.db2.gz JSLJADHFMJGTSP-HXUWFJFHSA-N 1 2 338.407 3.149 10 30 EGEELO CC(=O)c1ccc(C#N)cc1NCc1ccccc1C[NH+]1CCOCC1 ZINC000302054019 265673505 /nfs/dbraw/zinc/67/35/05/265673505.db2.gz PQGCGEZWFDWIBT-UHFFFAOYSA-N 1 2 349.434 3.205 10 30 EGEELO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1cc(C)[nH+]c(C)c1C#N ZINC000301792538 266137836 /nfs/dbraw/zinc/13/78/36/266137836.db2.gz RHPBMKXZHNOXQX-UHFFFAOYSA-N 1 2 333.395 3.245 10 30 EGEELO CCn1ncc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000527737039 267262244 /nfs/dbraw/zinc/26/22/44/267262244.db2.gz TVVIDWXAFDYUKT-UHFFFAOYSA-N 1 2 347.422 3.038 10 30 EGEELO N#Cc1cccc(CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000530669176 268276175 /nfs/dbraw/zinc/27/61/75/268276175.db2.gz XLTQHMSAJAMARZ-UHFFFAOYSA-N 1 2 348.450 3.193 10 30 EGEELO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3F)cnc12 ZINC000564985344 316241690 /nfs/dbraw/zinc/24/16/90/316241690.db2.gz GQADFKXCIYDHHY-QGZVFWFLSA-N 1 2 339.349 3.216 10 30 EGEELO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3F)cnc12 ZINC000564985344 316241694 /nfs/dbraw/zinc/24/16/94/316241694.db2.gz GQADFKXCIYDHHY-QGZVFWFLSA-N 1 2 339.349 3.216 10 30 EGEELO N#Cc1c(C(F)F)cccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000581736440 325387521 /nfs/dbraw/zinc/38/75/21/325387521.db2.gz VWZJRZUXCAADQT-UHFFFAOYSA-N 1 2 328.366 3.213 10 30 EGEELO C=CCOc1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180723083 455233738 /nfs/dbraw/zinc/23/37/38/455233738.db2.gz OFOGWVOPXPRWBJ-HKUYNNGSSA-N 1 2 343.423 3.169 10 30 EGEELO C=CCOc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180723083 455233744 /nfs/dbraw/zinc/23/37/44/455233744.db2.gz OFOGWVOPXPRWBJ-HKUYNNGSSA-N 1 2 343.423 3.169 10 30 EGEELO N#Cc1ccc2[nH+]cc(CNc3ccc(OCC(F)(F)F)nc3)n2c1 ZINC000157892416 455245578 /nfs/dbraw/zinc/24/55/78/455245578.db2.gz NVOVYQFLUXSCAA-UHFFFAOYSA-N 1 2 347.300 3.154 10 30 EGEELO C=CC[C@@H]1CCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000623457392 460560057 /nfs/dbraw/zinc/56/00/57/460560057.db2.gz HGLIUDWLXNUILC-MRXNPFEDSA-N 1 2 328.460 3.180 10 30 EGEELO Oc1cccc(/C=N\N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000019771340 453659640 /nfs/dbraw/zinc/65/96/40/453659640.db2.gz FYTPQPDGPHCLLX-MOSHPQCFSA-N 1 2 329.831 3.197 10 30 EGEELO C=CC[N@@H+](CC(=O)N(C(C)C)C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063297770 454404060 /nfs/dbraw/zinc/40/40/60/454404060.db2.gz PYDKCZJXCRVAMI-UHFFFAOYSA-N 1 2 333.432 3.228 10 30 EGEELO C=CC[N@H+](CC(=O)N(C(C)C)C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063297770 454404065 /nfs/dbraw/zinc/40/40/65/454404065.db2.gz PYDKCZJXCRVAMI-UHFFFAOYSA-N 1 2 333.432 3.228 10 30 EGEELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000074210164 454544030 /nfs/dbraw/zinc/54/40/30/454544030.db2.gz DEXZGXWYPUIXNY-JKSUJKDBSA-N 1 2 330.863 3.462 10 30 EGEELO CN(CCC#N)c1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000092831758 454643524 /nfs/dbraw/zinc/64/35/24/454643524.db2.gz JLNYWHLSIUWSRM-KRWDZBQOSA-N 1 2 342.468 3.066 10 30 EGEELO CN(CCC#N)c1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000092831758 454643530 /nfs/dbraw/zinc/64/35/30/454643530.db2.gz JLNYWHLSIUWSRM-KRWDZBQOSA-N 1 2 342.468 3.066 10 30 EGEELO N#Cc1cccnc1N1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000093157933 454688820 /nfs/dbraw/zinc/68/88/20/454688820.db2.gz RHLVOZOKSNHSQE-UHFFFAOYSA-N 1 2 330.794 3.068 10 30 EGEELO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000093457878 454716326 /nfs/dbraw/zinc/71/63/26/454716326.db2.gz IZMQTWSSKFENOT-NRFANRHFSA-N 1 2 337.419 3.368 10 30 EGEELO C#CCCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000093457878 454716331 /nfs/dbraw/zinc/71/63/31/454716331.db2.gz IZMQTWSSKFENOT-NRFANRHFSA-N 1 2 337.419 3.368 10 30 EGEELO C=CCOc1ccccc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000093687430 454728535 /nfs/dbraw/zinc/72/85/35/454728535.db2.gz LEYRGDZPGZYPCS-UHFFFAOYSA-N 1 2 327.403 3.108 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000107064078 454740172 /nfs/dbraw/zinc/74/01/72/454740172.db2.gz QIQNWNILHMVHLR-SJCJKPOMSA-N 1 2 339.842 3.354 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000107064078 454740177 /nfs/dbraw/zinc/74/01/77/454740177.db2.gz QIQNWNILHMVHLR-SJCJKPOMSA-N 1 2 339.842 3.354 10 30 EGEELO Cn1cc(C#N)cc1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000176493746 454752023 /nfs/dbraw/zinc/75/20/23/454752023.db2.gz NYQXUAQOXJFQIF-UHFFFAOYSA-N 1 2 333.395 3.225 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000189285113 455169000 /nfs/dbraw/zinc/16/90/00/455169000.db2.gz STYXIEWSBBTLLR-ZBFHGGJFSA-N 1 2 334.485 3.260 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000189285113 455169006 /nfs/dbraw/zinc/16/90/06/455169006.db2.gz STYXIEWSBBTLLR-ZBFHGGJFSA-N 1 2 334.485 3.260 10 30 EGEELO C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000185232797 455526793 /nfs/dbraw/zinc/52/67/93/455526793.db2.gz LZIZDXADHCPUDO-HKUYNNGSSA-N 1 2 330.472 3.087 10 30 EGEELO COc1cccc(-c2noc([C@@H](C)[NH2+]CC#Cc3ccccc3)n2)c1 ZINC000192184765 455569357 /nfs/dbraw/zinc/56/93/57/455569357.db2.gz ZPFMQUUDPKCDIL-OAHLLOKOSA-N 1 2 333.391 3.448 10 30 EGEELO C#CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000185522924 455571999 /nfs/dbraw/zinc/57/19/99/455571999.db2.gz DTYRHEBFRDLJDJ-AWEZNQCLSA-N 1 2 334.410 3.095 10 30 EGEELO C#CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000185522924 455572003 /nfs/dbraw/zinc/57/20/03/455572003.db2.gz DTYRHEBFRDLJDJ-AWEZNQCLSA-N 1 2 334.410 3.095 10 30 EGEELO C=CCN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000271433459 455635161 /nfs/dbraw/zinc/63/51/61/455635161.db2.gz XWOCYWOZNHHUAH-IRXDYDNUSA-N 1 2 335.398 3.070 10 30 EGEELO C=CCN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000271433459 455635170 /nfs/dbraw/zinc/63/51/70/455635170.db2.gz XWOCYWOZNHHUAH-IRXDYDNUSA-N 1 2 335.398 3.070 10 30 EGEELO C=CCC(F)(F)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000293516079 455788581 /nfs/dbraw/zinc/78/85/81/455788581.db2.gz XQNGBQLVYXQOBW-UHFFFAOYSA-N 1 2 337.414 3.358 10 30 EGEELO C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000617039601 460723486 /nfs/dbraw/zinc/72/34/86/460723486.db2.gz JMTIJTVKQFIYPP-UYAOXDASSA-N 1 2 342.483 3.384 10 30 EGEELO C=CC[C@@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000189097656 456225564 /nfs/dbraw/zinc/22/55/64/456225564.db2.gz UQNDYQRKQINPFI-LJQANCHMSA-N 1 2 335.451 3.480 10 30 EGEELO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000297687837 456275667 /nfs/dbraw/zinc/27/56/67/456275667.db2.gz ABLYDYXYEOZEDY-KRWDZBQOSA-N 1 2 338.455 3.490 10 30 EGEELO N#Cc1csc(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)n1 ZINC000601136677 460726650 /nfs/dbraw/zinc/72/66/50/460726650.db2.gz JGWVBUNMJYIXGB-CYBMUJFWSA-N 1 2 325.796 3.021 10 30 EGEELO C=CCO[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302194340 456313744 /nfs/dbraw/zinc/31/37/44/456313744.db2.gz WTOKUEIFLJRRNM-MRXNPFEDSA-N 1 2 340.383 3.142 10 30 EGEELO COCc1cnc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000342920091 456314440 /nfs/dbraw/zinc/31/44/40/456314440.db2.gz SMZFXNICKOMPCK-UHFFFAOYSA-N 1 2 325.437 3.450 10 30 EGEELO COCc1cnc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000342920091 456314448 /nfs/dbraw/zinc/31/44/48/456314448.db2.gz SMZFXNICKOMPCK-UHFFFAOYSA-N 1 2 325.437 3.450 10 30 EGEELO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c(C#N)c1C ZINC000348246580 456567129 /nfs/dbraw/zinc/56/71/29/456567129.db2.gz REDKOWIWVGRPDI-CABZTGNLSA-N 1 2 345.390 3.448 10 30 EGEELO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c(C#N)c1C ZINC000348246580 456567135 /nfs/dbraw/zinc/56/71/35/456567135.db2.gz REDKOWIWVGRPDI-CABZTGNLSA-N 1 2 345.390 3.448 10 30 EGEELO Cc1ncc(CO)c(/C=[NH+]/CCCCOCc2ccccc2)c1O ZINC000299445644 456695838 /nfs/dbraw/zinc/69/58/38/456695838.db2.gz KEKSQTSZKOEJMO-UDWIEESQSA-N 1 2 328.412 3.004 10 30 EGEELO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)nc1C ZINC000348500792 456718109 /nfs/dbraw/zinc/71/81/09/456718109.db2.gz XNHRMXNXVYWETL-LLVKDONJSA-N 1 2 347.415 3.490 10 30 EGEELO C[C@@H]1c2ccsc2CCN1C([O-])=[NH+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000328611789 456719110 /nfs/dbraw/zinc/71/91/10/456719110.db2.gz OUNOVEBZBGVBOB-OLZOCXBDSA-N 1 2 330.457 3.355 10 30 EGEELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000329148442 456843619 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C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCOCC[C@@H]1C ZINC000378465989 457400784 /nfs/dbraw/zinc/40/07/84/457400784.db2.gz YUIYRWJYERIJHU-LSDHHAIUSA-N 1 2 347.484 3.130 10 30 EGEELO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCOCC[C@@H]1C ZINC000378465989 457400792 /nfs/dbraw/zinc/40/07/92/457400792.db2.gz YUIYRWJYERIJHU-LSDHHAIUSA-N 1 2 347.484 3.130 10 30 EGEELO CN(C)c1ncc(C[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000356452545 457632983 /nfs/dbraw/zinc/63/29/83/457632983.db2.gz IMTRZIRUGWUZBN-UHFFFAOYSA-N 1 2 348.372 3.045 10 30 EGEELO CN(C)c1ncc(C[N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000356452545 457632988 /nfs/dbraw/zinc/63/29/88/457632988.db2.gz IMTRZIRUGWUZBN-UHFFFAOYSA-N 1 2 348.372 3.045 10 30 EGEELO N#Cc1ccsc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370590850 457677969 /nfs/dbraw/zinc/67/79/69/457677969.db2.gz YVALSUHMXVRISI-CQSZACIVSA-N 1 2 340.452 3.172 10 30 EGEELO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)nc1C ZINC000361753816 457835588 /nfs/dbraw/zinc/83/55/88/457835588.db2.gz KZWSEMNVGLNMCD-LLVKDONJSA-N 1 2 347.415 3.490 10 30 EGEELO N#Cc1ccc([C@H]([NH2+][C@H]2CCCc3sc(Cl)cc32)C(N)=O)cc1 ZINC000427857146 458045922 /nfs/dbraw/zinc/04/59/22/458045922.db2.gz HSDSYCIKCIHZCR-BBRMVZONSA-N 1 2 345.855 3.467 10 30 EGEELO C=CCOc1ccccc1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371905571 458116244 /nfs/dbraw/zinc/11/62/44/458116244.db2.gz CYAFXEPMIVRWBJ-UHFFFAOYSA-N 1 2 340.427 3.064 10 30 EGEELO C=CCOc1ccccc1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371905571 458116248 /nfs/dbraw/zinc/11/62/48/458116248.db2.gz CYAFXEPMIVRWBJ-UHFFFAOYSA-N 1 2 340.427 3.064 10 30 EGEELO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413221152 458295216 /nfs/dbraw/zinc/29/52/16/458295216.db2.gz SDYMYPSJDQTGOI-CYBMUJFWSA-N 1 2 328.366 3.115 10 30 EGEELO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000459464140 458379889 /nfs/dbraw/zinc/37/98/89/458379889.db2.gz ICTQDLJKQMEHGE-GFCCVEGCSA-N 1 2 341.367 3.334 10 30 EGEELO N#Cc1csc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)n1 ZINC000449443155 458424824 /nfs/dbraw/zinc/42/48/24/458424824.db2.gz PSUBYHOMDCKIFA-ZDUSSCGKSA-N 1 2 341.358 3.247 10 30 EGEELO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430281357 458433863 /nfs/dbraw/zinc/43/38/63/458433863.db2.gz CKFRSAAJUCJPEA-HBUWYVDXSA-N 1 2 334.847 3.370 10 30 EGEELO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430281357 458433866 /nfs/dbraw/zinc/43/38/66/458433866.db2.gz CKFRSAAJUCJPEA-HBUWYVDXSA-N 1 2 334.847 3.370 10 30 EGEELO COc1cc(OC)c2ncc(C#N)c(NCCc3[nH+]cccc3C)c2c1 ZINC000450737388 458456233 /nfs/dbraw/zinc/45/62/33/458456233.db2.gz IYSNJTNLRBTQKP-UHFFFAOYSA-N 1 2 348.406 3.482 10 30 EGEELO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451975445 458491217 /nfs/dbraw/zinc/49/12/17/458491217.db2.gz VNEHLVDFWIAUOL-CXAGYDPISA-N 1 2 335.398 3.110 10 30 EGEELO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451975445 458491220 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C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590280116 459107117 /nfs/dbraw/zinc/10/71/17/459107117.db2.gz UCQSSGRHGLSTRR-CQSZACIVSA-N 1 2 331.847 3.239 10 30 EGEELO Cc1cc[nH+]cc1N1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000535544498 459356189 /nfs/dbraw/zinc/35/61/89/459356189.db2.gz WLBHUEMAEQWYCE-UHFFFAOYSA-N 1 2 325.843 3.217 10 30 EGEELO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595619713 459372084 /nfs/dbraw/zinc/37/20/84/459372084.db2.gz FWIDGQMKTXQTQU-QWHCGFSZSA-N 1 2 342.468 3.061 10 30 EGEELO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595619713 459372087 /nfs/dbraw/zinc/37/20/87/459372087.db2.gz FWIDGQMKTXQTQU-QWHCGFSZSA-N 1 2 342.468 3.061 10 30 EGEELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633075 459376122 /nfs/dbraw/zinc/37/61/22/459376122.db2.gz LDEMZVRLIAUUSZ-CYBMUJFWSA-N 1 2 342.424 3.411 10 30 EGEELO C(#Cc1ccccc1)C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000484098086 459406102 /nfs/dbraw/zinc/40/61/02/459406102.db2.gz WSZQONNQSCOYLG-UHFFFAOYSA-N 1 2 327.431 3.409 10 30 EGEELO CN(C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1)C(c1ccccc1)c1ccccc1 ZINC000595834726 459458560 /nfs/dbraw/zinc/45/85/60/459458560.db2.gz LFRDOKJSTBEWLU-QFIPXVFZSA-N 1 2 347.462 3.470 10 30 EGEELO CN(C(=O)C[N@H+]1CC[C@@](C)(C#N)C1)C(c1ccccc1)c1ccccc1 ZINC000595834726 459458566 /nfs/dbraw/zinc/45/85/66/459458566.db2.gz LFRDOKJSTBEWLU-QFIPXVFZSA-N 1 2 347.462 3.470 10 30 EGEELO COc1ccccc1COC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592091643 459523914 /nfs/dbraw/zinc/52/39/14/459523914.db2.gz FMUHLRNDSWNQND-UHFFFAOYSA-N 1 2 337.423 3.143 10 30 EGEELO C=C[C@@H](CC(=O)N1CCN(c2c[nH+]ccc2C)CC1)c1ccccc1 ZINC000500675053 459689672 /nfs/dbraw/zinc/68/96/72/459689672.db2.gz DVGQFTDIKPVIQG-SFHVURJKSA-N 1 2 335.451 3.399 10 30 EGEELO N#Cc1ccc(OC2CC[NH+](Cc3cc4n(n3)CCCC4)CC2)cc1 ZINC000593010648 459738468 /nfs/dbraw/zinc/73/84/68/459738468.db2.gz JLECJVCDXDCFCY-UHFFFAOYSA-N 1 2 336.439 3.134 10 30 EGEELO Cc1cc(Cl)ccc1C1=CC[N@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000528742825 459813234 /nfs/dbraw/zinc/81/32/34/459813234.db2.gz OOCGBGHUSXGYHT-UHFFFAOYSA-N 1 2 343.858 3.300 10 30 EGEELO Cc1cc(Cl)ccc1C1=CC[N@@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000528742825 459813239 /nfs/dbraw/zinc/81/32/39/459813239.db2.gz OOCGBGHUSXGYHT-UHFFFAOYSA-N 1 2 343.858 3.300 10 30 EGEELO Cc1cc(N2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)c(C#N)c[nH+]1 ZINC000593501063 459907433 /nfs/dbraw/zinc/90/74/33/459907433.db2.gz GPKRDWFJFBJLHG-LRDDRELGSA-N 1 2 337.427 3.227 10 30 EGEELO N#CC1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CCCC1 ZINC000593774235 459982142 /nfs/dbraw/zinc/98/21/42/459982142.db2.gz APDXYDIIBAHOJI-SFHVURJKSA-N 1 2 343.446 3.380 10 30 EGEELO N#CC1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CCCC1 ZINC000593774235 459982145 /nfs/dbraw/zinc/98/21/45/459982145.db2.gz APDXYDIIBAHOJI-SFHVURJKSA-N 1 2 343.446 3.380 10 30 EGEELO Cn1cc[nH+]c1[C@@H](Nc1cc(C#N)nc2ccccc21)c1ccccc1 ZINC000610245408 460095091 /nfs/dbraw/zinc/09/50/91/460095091.db2.gz QKKARESYFHMLEF-FQEVSTJZSA-N 1 2 339.402 3.463 10 30 EGEELO CCc1[nH+]c2ccccc2n1CC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594136791 460120940 /nfs/dbraw/zinc/12/09/40/460120940.db2.gz IVNXFUJUEWLMDL-UHFFFAOYSA-N 1 2 330.391 3.013 10 30 EGEELO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccnc(C#N)c2)cn1 ZINC000610993390 460275387 /nfs/dbraw/zinc/27/53/87/460275387.db2.gz PENUCAYNXBPQDY-LJQANCHMSA-N 1 2 335.386 3.047 10 30 EGEELO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccnc(C#N)c2)cn1 ZINC000610993390 460275388 /nfs/dbraw/zinc/27/53/88/460275388.db2.gz PENUCAYNXBPQDY-LJQANCHMSA-N 1 2 335.386 3.047 10 30 EGEELO COC(=O)c1cccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1C#N ZINC000599573406 460277413 /nfs/dbraw/zinc/27/74/13/460277413.db2.gz GSIVQUICPPDTCO-LJQANCHMSA-N 1 2 335.407 3.371 10 30 EGEELO N#Cc1ccc(F)c(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000599661559 460301812 /nfs/dbraw/zinc/30/18/12/460301812.db2.gz YLXPBMZPBUTWDY-UHFFFAOYSA-N 1 2 348.425 3.496 10 30 EGEELO Cc1cc[nH+]cc1N1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601160639 460736408 /nfs/dbraw/zinc/73/64/08/460736408.db2.gz YJXRAGUZUJXVAT-UHFFFAOYSA-N 1 2 335.436 3.198 10 30 EGEELO C=CC(C)(C)CNC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000624155811 460887613 /nfs/dbraw/zinc/88/76/13/460887613.db2.gz FSGNTQBVHQQDGX-UHFFFAOYSA-N 1 2 340.471 3.207 10 30 EGEELO C=CC[C@@H]1CCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000636865557 461306299 /nfs/dbraw/zinc/30/62/99/461306299.db2.gz VJMRARIUQIMVBP-SJLPKXTDSA-N 1 2 338.455 3.312 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000643255779 461652449 /nfs/dbraw/zinc/65/24/49/461652449.db2.gz USOOEISRXXYPGC-OAHLLOKOSA-N 1 2 346.496 3.283 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000643255779 461652460 /nfs/dbraw/zinc/65/24/60/461652460.db2.gz USOOEISRXXYPGC-OAHLLOKOSA-N 1 2 346.496 3.283 10 30 EGEELO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000660949982 462035179 /nfs/dbraw/zinc/03/51/79/462035179.db2.gz GZPZZJIOJHMVHD-IKGGRYGDSA-N 1 2 328.460 3.094 10 30 EGEELO C=CCCn1cc(C[NH2+]Cc2sc(C)cc2Br)nn1 ZINC000657674262 462225569 /nfs/dbraw/zinc/22/55/69/462225569.db2.gz TYFMSKNQVQPUGB-UHFFFAOYSA-N 1 2 341.278 3.276 10 30 EGEELO C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000661412932 462236884 /nfs/dbraw/zinc/23/68/84/462236884.db2.gz YDFUBMZJKQQKIV-OALUTQOASA-N 1 2 342.487 3.044 10 30 EGEELO C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@@H](C)CC)CC1 ZINC000034906469 519268105 /nfs/dbraw/zinc/26/81/05/519268105.db2.gz JWDXETWACFLCTP-HNNXBMFYSA-N 1 2 340.471 3.353 10 30 EGEELO N#CCC[C@H](C#N)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000014139805 526465053 /nfs/dbraw/zinc/46/50/53/526465053.db2.gz HFUGRBQHNSMLBO-CYBMUJFWSA-N 1 2 334.408 3.351 10 30 EGEELO CC1(C)C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000190205469 529114105 /nfs/dbraw/zinc/11/41/05/529114105.db2.gz YDFYTTAUFDDART-CQSZACIVSA-N 1 2 339.361 3.407 10 30 EGEELO CC1(C)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000190205469 529114111 /nfs/dbraw/zinc/11/41/11/529114111.db2.gz YDFYTTAUFDDART-CQSZACIVSA-N 1 2 339.361 3.407 10 30 EGEELO CC(=O)Nc1cccc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000329740458 547505823 /nfs/dbraw/zinc/50/58/23/547505823.db2.gz VKBAIWVJYGCZGP-HOTGVXAUSA-N 1 2 342.399 3.270 10 30 EGEELO CC(=O)Nc1cccc(-c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000329740458 547505826 /nfs/dbraw/zinc/50/58/26/547505826.db2.gz VKBAIWVJYGCZGP-HOTGVXAUSA-N 1 2 342.399 3.270 10 30 EGEELO CN(C)c1ccc(C=[NH+]Nc2ccc(Br)cn2)s1 ZINC000727266063 574656168 /nfs/dbraw/zinc/65/61/68/574656168.db2.gz IQHAYHXKDHGNDG-UHFFFAOYSA-N 1 2 325.235 3.418 10 30 EGEELO C[C@H](O[NH+]=C(N)c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000727487485 574670686 /nfs/dbraw/zinc/67/06/86/574670686.db2.gz XVDUCAFILKTPMR-XUJVJEKNSA-N 1 2 337.851 3.060 10 30 EGEELO C#CCN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C1CCCCC1 ZINC000874244852 1297828664 /nfs/dbraw/zinc/82/86/64/1297828664.db2.gz PDXUYSBXWGKOOO-CQSZACIVSA-N 1 2 327.350 3.171 10 30 EGEELO C#CC1(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCCC1 ZINC000878627061 1300116373 /nfs/dbraw/zinc/11/63/73/1300116373.db2.gz KYYWKHQRLRFAGN-INIZCTEOSA-N 1 2 341.455 3.147 10 30 EGEELO CC(=O)C1CC[NH+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1 ZINC000879952487 1300799524 /nfs/dbraw/zinc/79/95/24/1300799524.db2.gz PLWBFJIUHSPYSW-DEDYPNTBSA-N 1 2 340.467 3.168 10 30 EGEELO C=CCC[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)[C@H]1CCCO1 ZINC000883205882 1302305859 /nfs/dbraw/zinc/30/58/59/1302305859.db2.gz FRLBNDWGXKEFGT-JKSUJKDBSA-N 1 2 330.407 3.214 10 30 EGEELO C#C[C@@H]([NH2+]Cc1cn(CC)nc1C)c1ccc(Br)cc1 ZINC000894668572 1309015237 /nfs/dbraw/zinc/01/52/37/1309015237.db2.gz NLCVDZDXYQFBHS-MRXNPFEDSA-N 1 2 332.245 3.438 10 30 EGEELO C=C(C)C[C@H]([NH2+][C@H](C)CCc1n[nH]c2ccccc21)C(=O)OCC ZINC000895598648 1309423539 /nfs/dbraw/zinc/42/35/39/1309423539.db2.gz SIHKTITYRZHQLG-KDOFPFPSSA-N 1 2 329.444 3.372 10 30 EGEELO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897740049 1310450040 /nfs/dbraw/zinc/45/00/40/1310450040.db2.gz VSPYXFYKZSHJJF-UHFFFAOYSA-N 1 2 343.475 3.309 10 30 EGEELO COc1ccccc1C[N@@H+](Cc1cncc(C#N)c1)C[C@@H]1CCCO1 ZINC000929260364 1328550736 /nfs/dbraw/zinc/55/07/36/1328550736.db2.gz CIVUMARKCACGQQ-IBGZPJMESA-N 1 2 337.423 3.143 10 30 EGEELO COc1ccccc1C[N@H+](Cc1cncc(C#N)c1)C[C@@H]1CCCO1 ZINC000929260364 1328550740 /nfs/dbraw/zinc/55/07/40/1328550740.db2.gz CIVUMARKCACGQQ-IBGZPJMESA-N 1 2 337.423 3.143 10 30 EGEELO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000923178268 1322706138 /nfs/dbraw/zinc/70/61/38/1322706138.db2.gz SCMBEFPRFMRJDH-HIFRSBDPSA-N 1 2 336.505 3.139 10 30 EGEELO C#CC1(O)CC[NH+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000931144907 1329060084 /nfs/dbraw/zinc/06/00/84/1329060084.db2.gz JLIRFHLWDDMFSZ-UHFFFAOYSA-N 1 2 342.483 3.332 10 30 EGEELO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C1 ZINC000860421128 1329315124 /nfs/dbraw/zinc/31/51/24/1329315124.db2.gz LVUOHKXYKSQERL-KRWDZBQOSA-N 1 2 348.450 3.120 10 30 EGEELO CC[C@H]([NH2+]C[C@@H](CO)c1ccc(OC)cc1)c1cccc(C#N)c1O ZINC000926572311 1327620273 /nfs/dbraw/zinc/62/02/73/1327620273.db2.gz DMTDKYQVDBIVQN-LPHOPBHVSA-N 1 2 340.423 3.089 10 30 EGEELO COc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c(C)c1OC ZINC000927122859 1327878526 /nfs/dbraw/zinc/87/85/26/1327878526.db2.gz LAMZLSQMQWTZFN-CYBMUJFWSA-N 1 2 326.396 3.440 10 30 EGEELO C=CC[N@@H+](CCc1ccccc1)Cc1cn(C)nc1Br ZINC000862232902 1329468833 /nfs/dbraw/zinc/46/88/33/1329468833.db2.gz DIAJLSYWUJBSFZ-UHFFFAOYSA-N 1 2 334.261 3.413 10 30 EGEELO C=CC[N@H+](CCc1ccccc1)Cc1cn(C)nc1Br ZINC000862232902 1329468835 /nfs/dbraw/zinc/46/88/35/1329468835.db2.gz DIAJLSYWUJBSFZ-UHFFFAOYSA-N 1 2 334.261 3.413 10 30 EGEELO C#Cc1ccc(NC(=O)NCc2nc(C[NH+](C)C)cs2)c(Cl)c1 ZINC000933346980 1329882074 /nfs/dbraw/zinc/88/20/74/1329882074.db2.gz BWTDVXPWFVTMHB-UHFFFAOYSA-N 1 2 348.859 3.161 10 30 EGEELO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866238274 1330083192 /nfs/dbraw/zinc/08/31/92/1330083192.db2.gz OLFJOZXTUHBMOK-CQSZACIVSA-N 1 2 337.423 3.254 10 30 EGEELO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866238272 1330083405 /nfs/dbraw/zinc/08/34/05/1330083405.db2.gz OLFJOZXTUHBMOK-AWEZNQCLSA-N 1 2 337.423 3.254 10 30 EGEELO C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc(C#N)c1O ZINC000866272307 1330088603 /nfs/dbraw/zinc/08/86/03/1330088603.db2.gz VDXYZPASPCVNNH-MLGOLLRUSA-N 1 2 345.443 3.218 10 30 EGEELO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866285138 1330090738 /nfs/dbraw/zinc/09/07/38/1330090738.db2.gz XKHNCDGQZRCKCF-GOEBONIOSA-N 1 2 337.423 3.202 10 30 EGEELO C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)c1cccc(C#N)c1O ZINC000866337243 1330097847 /nfs/dbraw/zinc/09/78/47/1330097847.db2.gz VUGNTQOZUPTIAG-CYBMUJFWSA-N 1 2 345.443 3.362 10 30 EGEELO C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(C#N)c1O ZINC000866352664 1330100898 /nfs/dbraw/zinc/10/08/98/1330100898.db2.gz KABSXUGAMJBUPU-GFCCVEGCSA-N 1 2 328.441 3.040 10 30 EGEELO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(C#N)c1O ZINC000866375976 1330103685 /nfs/dbraw/zinc/10/36/85/1330103685.db2.gz HJPCRTQSVVJSBQ-XJKSGUPXSA-N 1 2 325.387 3.332 10 30 EGEELO C=C(C)C(C)(C)C(=O)NC[C@H](CC)[NH2+]Cc1nc(C2CCCC2)no1 ZINC001698607855 1406237151 /nfs/dbraw/zinc/23/71/51/1406237151.db2.gz DXDDWHCAXXYARU-HNNXBMFYSA-N 1 2 348.491 3.314 10 30 EGEELO C#CCC1(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2F)CCCCC1 ZINC001323371750 1387355251 /nfs/dbraw/zinc/35/52/51/1387355251.db2.gz OFPDLMYFTXPFHH-GOSISDBHSA-N 1 2 342.458 3.490 10 30 EGEELO C#CCC1(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2F)CCCCC1 ZINC001323371750 1387355259 /nfs/dbraw/zinc/35/52/59/1387355259.db2.gz OFPDLMYFTXPFHH-GOSISDBHSA-N 1 2 342.458 3.490 10 30 EGEELO C[C@H](C#N)C(=O)N(C)C1C[NH+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC001323897886 1387492965 /nfs/dbraw/zinc/49/29/65/1387492965.db2.gz FSWCZOJINUIRLI-CABCVRRESA-N 1 2 327.472 3.347 10 30 EGEELO C=C[C@@](C)(CCOC)C(=O)N(C)C1C[NH+](Cc2ccc(CC)cc2)C1 ZINC001323957598 1387500850 /nfs/dbraw/zinc/50/08/50/1387500850.db2.gz BGMAOQXCEVSINF-NRFANRHFSA-N 1 2 344.499 3.120 10 30 EGEELO C#CCN(C(=O)CC)C1CC[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC001324353797 1387607138 /nfs/dbraw/zinc/60/71/38/1387607138.db2.gz WOXJSWHQPVQWHY-OAHLLOKOSA-N 1 2 345.487 3.369 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@@]1(C)CC[N@H+](Cc2csc(CC)n2)C1 ZINC001324641527 1387714737 /nfs/dbraw/zinc/71/47/37/1387714737.db2.gz LULAALQHBCSKQA-KSSFIOAISA-N 1 2 335.517 3.388 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001324641527 1387714741 /nfs/dbraw/zinc/71/47/41/1387714741.db2.gz LULAALQHBCSKQA-KSSFIOAISA-N 1 2 335.517 3.388 10 30 EGEELO Cc1cc(NCc2ccc[nH+]c2N)n2c3ccccc3nc2c1C#N ZINC001186478745 1387951771 /nfs/dbraw/zinc/95/17/71/1387951771.db2.gz DSDPLPVYEWAMOR-UHFFFAOYSA-N 1 2 328.379 3.257 10 30 EGEELO COc1cc2c(cc1OC)[C@H](C1CC1)[N@H+](Cc1ccncc1C#N)CC2 ZINC001197701872 1368876589 /nfs/dbraw/zinc/87/65/89/1368876589.db2.gz PENSQHCBKSSORS-NRFANRHFSA-N 1 2 349.434 3.480 10 30 EGEELO COc1cc2c(cc1OC)[C@H](C1CC1)[N@@H+](Cc1ccncc1C#N)CC2 ZINC001197701872 1368876594 /nfs/dbraw/zinc/87/65/94/1368876594.db2.gz PENSQHCBKSSORS-NRFANRHFSA-N 1 2 349.434 3.480 10 30 EGEELO N#Cc1c(N)sc2c1CC[N@@H+](Cc1nsc3ccccc31)C2 ZINC001198414405 1369025646 /nfs/dbraw/zinc/02/56/46/1369025646.db2.gz QINOCRZHLHCUAI-UHFFFAOYSA-N 1 2 326.450 3.370 10 30 EGEELO N#Cc1c(N)sc2c1CC[N@H+](Cc1nsc3ccccc31)C2 ZINC001198414405 1369025654 /nfs/dbraw/zinc/02/56/54/1369025654.db2.gz QINOCRZHLHCUAI-UHFFFAOYSA-N 1 2 326.450 3.370 10 30 EGEELO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ccc(C)o1 ZINC001121509978 1371994795 /nfs/dbraw/zinc/99/47/95/1371994795.db2.gz QGMKDYMXAJNPRX-MRXNPFEDSA-N 1 2 329.448 3.159 10 30 EGEELO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ccc(C)o1 ZINC001121509978 1371994799 /nfs/dbraw/zinc/99/47/99/1371994799.db2.gz QGMKDYMXAJNPRX-MRXNPFEDSA-N 1 2 329.448 3.159 10 30 EGEELO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(CCF)CC1 ZINC001121509271 1371995031 /nfs/dbraw/zinc/99/50/31/1371995031.db2.gz GPIKBYUCAAWKFN-INIZCTEOSA-N 1 2 335.471 3.197 10 30 EGEELO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(CCF)CC1 ZINC001121509271 1371995035 /nfs/dbraw/zinc/99/50/35/1371995035.db2.gz GPIKBYUCAAWKFN-INIZCTEOSA-N 1 2 335.471 3.197 10 30 EGEELO C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)CSC ZINC001326448795 1388192326 /nfs/dbraw/zinc/19/23/26/1388192326.db2.gz ABTLXWXXOICVTG-CYBMUJFWSA-N 1 2 340.920 3.486 10 30 EGEELO C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)CSC ZINC001326448795 1388192330 /nfs/dbraw/zinc/19/23/30/1388192330.db2.gz ABTLXWXXOICVTG-CYBMUJFWSA-N 1 2 340.920 3.486 10 30 EGEELO C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC1(F)F ZINC001326449908 1388194794 /nfs/dbraw/zinc/19/47/94/1388194794.db2.gz SDXCTUGFDPTMMI-CQSZACIVSA-N 1 2 328.790 3.142 10 30 EGEELO C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC1(F)F ZINC001326449908 1388194800 /nfs/dbraw/zinc/19/48/00/1388194800.db2.gz SDXCTUGFDPTMMI-CQSZACIVSA-N 1 2 328.790 3.142 10 30 EGEELO C#CCN(C(=O)NCc1cc[nH+]c(NC)c1)[C@@H]1CCCc2ccccc21 ZINC001123696046 1372562216 /nfs/dbraw/zinc/56/22/16/1372562216.db2.gz ZVBDUVPQXFJVDN-LJQANCHMSA-N 1 2 348.450 3.346 10 30 EGEELO C=CCCCCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001326643610 1388266462 /nfs/dbraw/zinc/26/64/62/1388266462.db2.gz OHYHPUOIHGEIBT-GOSISDBHSA-N 1 2 348.462 3.311 10 30 EGEELO C=CCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001326643610 1388266465 /nfs/dbraw/zinc/26/64/65/1388266465.db2.gz OHYHPUOIHGEIBT-GOSISDBHSA-N 1 2 348.462 3.311 10 30 EGEELO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cscc1C#N)c1ccccc1 ZINC001131383048 1373687214 /nfs/dbraw/zinc/68/72/14/1373687214.db2.gz RGGWHNMVGKVBRA-MRXNPFEDSA-N 1 2 336.420 3.067 10 30 EGEELO C=CCCC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2nc(CCCC)no2)C1 ZINC001266093749 1377184789 /nfs/dbraw/zinc/18/47/89/1377184789.db2.gz KVDJQDPCGPZNCL-HOTGVXAUSA-N 1 2 348.491 3.362 10 30 EGEELO C=CCCC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2nc(CCCC)no2)C1 ZINC001266093749 1377184791 /nfs/dbraw/zinc/18/47/91/1377184791.db2.gz KVDJQDPCGPZNCL-HOTGVXAUSA-N 1 2 348.491 3.362 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001266233221 1377240287 /nfs/dbraw/zinc/24/02/87/1377240287.db2.gz GLHWOMDYKDAJSG-HNNXBMFYSA-N 1 2 335.879 3.418 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001266233221 1377240292 /nfs/dbraw/zinc/24/02/92/1377240292.db2.gz GLHWOMDYKDAJSG-HNNXBMFYSA-N 1 2 335.879 3.418 10 30 EGEELO CCC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001266308077 1377267173 /nfs/dbraw/zinc/26/71/73/1377267173.db2.gz PHXCJRNMXJZZMJ-WMLDXEAASA-N 1 2 331.435 3.214 10 30 EGEELO CCC[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001266308077 1377267175 /nfs/dbraw/zinc/26/71/75/1377267175.db2.gz PHXCJRNMXJZZMJ-WMLDXEAASA-N 1 2 331.435 3.214 10 30 EGEELO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001266336858 1377281434 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C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(CC)c2)CCO1 ZINC001270651361 1377609350 /nfs/dbraw/zinc/60/93/50/1377609350.db2.gz XKMSTLUTRAGZJC-LJQANCHMSA-N 1 2 344.499 3.168 10 30 EGEELO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](OC(C)C)c1ccccc1 ZINC001276021233 1378168009 /nfs/dbraw/zinc/16/80/09/1378168009.db2.gz KVOBGVTYRPGQAQ-WBVHZDCISA-N 1 2 338.879 3.342 10 30 EGEELO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](OC(C)C)c1ccccc1 ZINC001276021233 1378168011 /nfs/dbraw/zinc/16/80/11/1378168011.db2.gz KVOBGVTYRPGQAQ-WBVHZDCISA-N 1 2 338.879 3.342 10 30 EGEELO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H](OC)C2CCCCC2)CC1 ZINC001279703274 1378317982 /nfs/dbraw/zinc/31/79/82/1378317982.db2.gz CYNKRCXRPRGDDR-QGZVFWFLSA-N 1 2 340.895 3.083 10 30 EGEELO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H](OC)C2CCCCC2)CC1 ZINC001279703274 1378317984 /nfs/dbraw/zinc/31/79/84/1378317984.db2.gz CYNKRCXRPRGDDR-QGZVFWFLSA-N 1 2 340.895 3.083 10 30 EGEELO C=CCC1(C(=O)N[C@@H](C)C2C[NH+](Cc3cncc(F)c3)C2)CCCC1 ZINC001282741395 1378591849 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EGEELO C=C(Br)C[N@@H+](CCC)CCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001714652773 1419431419 /nfs/dbraw/zinc/43/14/19/1419431419.db2.gz BIOBHBUFJZOKOQ-SOUVJXGZSA-N 1 2 343.309 3.159 10 30 EGEELO C=C(C)C(C)(C)C(=O)NCC[N@H+](Cc1cnc(Cl)s1)C1CC1 ZINC001714669105 1419458606 /nfs/dbraw/zinc/45/86/06/1419458606.db2.gz SEDPWTWBMLGJLT-UHFFFAOYSA-N 1 2 341.908 3.479 10 30 EGEELO C=C(C)C(C)(C)C(=O)NCC[N@@H+](Cc1cnc(Cl)s1)C1CC1 ZINC001714669105 1419458609 /nfs/dbraw/zinc/45/86/09/1419458609.db2.gz SEDPWTWBMLGJLT-UHFFFAOYSA-N 1 2 341.908 3.479 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC001733220311 1429338950 /nfs/dbraw/zinc/33/89/50/1429338950.db2.gz WSZJJWBZCDDHOX-MRXNPFEDSA-N 1 2 339.439 3.244 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC001733220311 1429338956 /nfs/dbraw/zinc/33/89/56/1429338956.db2.gz WSZJJWBZCDDHOX-MRXNPFEDSA-N 1 2 339.439 3.244 10 30 EGEELO C=CCCC(=O)NCC[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC001714870880 1419600694 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EGEELO C=C[C@H](CC(=O)NCC1C[NH+](Cc2cncs2)C1)c1ccccc1 ZINC001714980982 1419715966 /nfs/dbraw/zinc/71/59/66/1419715966.db2.gz JGMVFVWNOSCFQP-MRXNPFEDSA-N 1 2 341.480 3.051 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001715009451 1419738753 /nfs/dbraw/zinc/73/87/53/1419738753.db2.gz AZZQBKKVROGRLB-HNNXBMFYSA-N 1 2 335.879 3.370 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001715009451 1419738757 /nfs/dbraw/zinc/73/87/57/1419738757.db2.gz AZZQBKKVROGRLB-HNNXBMFYSA-N 1 2 335.879 3.370 10 30 EGEELO C#CCCCC(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001715021697 1419753269 /nfs/dbraw/zinc/75/32/69/1419753269.db2.gz ZIXRINILVRLQKL-GOSISDBHSA-N 1 2 342.870 3.028 10 30 EGEELO C#CCCCC(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001715021697 1419753273 /nfs/dbraw/zinc/75/32/73/1419753273.db2.gz ZIXRINILVRLQKL-GOSISDBHSA-N 1 2 342.870 3.028 10 30 EGEELO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C1CCCC1 ZINC001733231538 1429365808 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HUCJXOONWVYKGW-YEWWUXTCSA-N 1 2 348.516 3.377 10 30 EGEELO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+]([C@@H](C)c1nnc(C)s1)CC2 ZINC001734437858 1438100384 /nfs/dbraw/zinc/10/03/84/1438100384.db2.gz HUCJXOONWVYKGW-YEWWUXTCSA-N 1 2 348.516 3.377 10 30 EGEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1cccc2nc(C)[nH]c21)C(C)C ZINC001734553519 1438152008 /nfs/dbraw/zinc/15/20/08/1438152008.db2.gz CYMAXQRXADWTIE-UHFFFAOYSA-N 1 2 348.878 3.406 10 30 EGEELO C=C(Cl)C[N@H+](C)CCN(C(=O)c1cccc2nc(C)[nH]c21)C(C)C ZINC001734553519 1438152009 /nfs/dbraw/zinc/15/20/09/1438152009.db2.gz CYMAXQRXADWTIE-UHFFFAOYSA-N 1 2 348.878 3.406 10 30 EGEELO C=C(Br)C[N@H+]1CC=C(CNC(=O)CCC2(C)CC2)CC1 ZINC001734634829 1438195251 /nfs/dbraw/zinc/19/52/51/1438195251.db2.gz GCFDEESKLCTTMM-UHFFFAOYSA-N 1 2 341.293 3.224 10 30 EGEELO C=C(Br)C[N@@H+]1CC=C(CNC(=O)CCC2(C)CC2)CC1 ZINC001734634829 1438195253 /nfs/dbraw/zinc/19/52/53/1438195253.db2.gz GCFDEESKLCTTMM-UHFFFAOYSA-N 1 2 341.293 3.224 10 30 EGEELO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCCC ZINC001772539379 1441416602 /nfs/dbraw/zinc/41/66/02/1441416602.db2.gz QSIBFXZWGMKWIT-AWEZNQCLSA-N 1 2 331.298 3.398 10 30 EGEELO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCCCC ZINC001772539379 1441416603 /nfs/dbraw/zinc/41/66/03/1441416603.db2.gz QSIBFXZWGMKWIT-AWEZNQCLSA-N 1 2 331.298 3.398 10 30 EGEELO N#Cc1c(=O)[nH]cc(C=[NH+]Nc2ccccc2)c1Nc1ccccc1 ZINC000003911948 210093203 /nfs/dbraw/zinc/09/32/03/210093203.db2.gz DKUKQCJESAGHBC-LPYMAVHISA-N 1 2 329.363 3.436 10 30 EGEELO C=CCNc1nc2c(cnn2C)c(NCc2ccc(Cl)cc2)[nH+]1 ZINC000021929274 212264277 /nfs/dbraw/zinc/26/42/77/212264277.db2.gz KJXQJMGNQFWIJH-UHFFFAOYSA-N 1 2 328.807 3.227 10 30 EGEELO N#Cc1ccccc1Cn1c2ccccc2[nH+]c1N1CCCC[C@H]1CO ZINC000095078506 218273481 /nfs/dbraw/zinc/27/34/81/218273481.db2.gz FAZUMYQPHNWOIB-SFHVURJKSA-N 1 2 346.434 3.307 10 30 EGEELO COc1cccc([C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)CCO2)c1 ZINC000192076628 153241282 /nfs/dbraw/zinc/24/12/82/153241282.db2.gz NCQMITDNNOZUAZ-LJQANCHMSA-N 1 2 326.371 3.279 10 30 EGEELO COc1cccc([C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)CCO2)c1 ZINC000192076628 153241287 /nfs/dbraw/zinc/24/12/87/153241287.db2.gz NCQMITDNNOZUAZ-LJQANCHMSA-N 1 2 326.371 3.279 10 30 EGEELO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ncc(Br)cn1 ZINC000432993623 269879888 /nfs/dbraw/zinc/87/98/88/269879888.db2.gz DGIAXBLVNYJCFG-VIFPVBQESA-N 1 2 335.180 3.101 10 30 EGEELO CCOc1ccc(C#N)cc1NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000175621758 266334439 /nfs/dbraw/zinc/33/44/39/266334439.db2.gz DBKCAMOPMZOXIJ-UHFFFAOYSA-N 1 2 341.415 3.131 10 30 EGEELO CCn1cc[nH+]c1CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000297086559 266470701 /nfs/dbraw/zinc/47/07/01/266470701.db2.gz XFIXVRONWUREFP-UHFFFAOYSA-N 1 2 337.305 3.115 10 30 EGEELO CCC[N@H+](C[C@@H]1CCCCO1)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000411367452 267012622 /nfs/dbraw/zinc/01/26/22/267012622.db2.gz LHVCXYIMNFTGMX-ROUUACIJSA-N 1 2 330.428 3.053 10 30 EGEELO CCC[N@@H+](C[C@@H]1CCCCO1)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000411367452 267012626 /nfs/dbraw/zinc/01/26/26/267012626.db2.gz LHVCXYIMNFTGMX-ROUUACIJSA-N 1 2 330.428 3.053 10 30 EGEELO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCN1CC(F)F ZINC000439462460 267233768 /nfs/dbraw/zinc/23/37/68/267233768.db2.gz PMPUNQWRFINLSX-AWEZNQCLSA-N 1 2 327.806 3.373 10 30 EGEELO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCN1CC(F)F ZINC000439462460 267233771 /nfs/dbraw/zinc/23/37/71/267233771.db2.gz PMPUNQWRFINLSX-AWEZNQCLSA-N 1 2 327.806 3.373 10 30 EGEELO CCn1cc[nH+]c1CNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455782277 267257349 /nfs/dbraw/zinc/25/73/49/267257349.db2.gz YCUPXODKQTZMIP-UHFFFAOYSA-N 1 2 341.415 3.274 10 30 EGEELO N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000301290827 268051413 /nfs/dbraw/zinc/05/14/13/268051413.db2.gz NQUBLALMYSIION-UHFFFAOYSA-N 1 2 344.300 3.165 10 30 EGEELO Cc1cn2cc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)ccc2[nH+]1 ZINC000447446325 268070641 /nfs/dbraw/zinc/07/06/41/268070641.db2.gz ANKSPMARCZMYIK-UHFFFAOYSA-N 1 2 343.346 3.422 10 30 EGEELO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000528534459 268302884 /nfs/dbraw/zinc/30/28/84/268302884.db2.gz BPWWSZDPKPMNCZ-CQSZACIVSA-N 1 2 348.855 3.071 10 30 EGEELO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2sc(Cl)cc2C1 ZINC000528534459 268302885 /nfs/dbraw/zinc/30/28/85/268302885.db2.gz BPWWSZDPKPMNCZ-CQSZACIVSA-N 1 2 348.855 3.071 10 30 EGEELO COc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc1C#N ZINC000179212479 277891104 /nfs/dbraw/zinc/89/11/04/277891104.db2.gz NUTKSQICXYJEFL-UHFFFAOYSA-N 1 2 348.406 3.030 10 30 EGEELO COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2c2cccn2C)c1C#N ZINC000535963958 314085656 /nfs/dbraw/zinc/08/56/56/314085656.db2.gz PTEXHMAPBKEXHR-IBGZPJMESA-N 1 2 337.423 3.411 10 30 EGEELO COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2c2cccn2C)c1C#N ZINC000535963958 314085659 /nfs/dbraw/zinc/08/56/59/314085659.db2.gz PTEXHMAPBKEXHR-IBGZPJMESA-N 1 2 337.423 3.411 10 30 EGEELO N#Cc1cccc(Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c1 ZINC000545575126 314770667 /nfs/dbraw/zinc/77/06/67/314770667.db2.gz VKCRIOFUALJVGD-UHFFFAOYSA-N 1 2 341.374 3.444 10 30 EGEELO N#Cc1cnn2cc(C[NH2+][C@H](c3ccco3)c3ccccc3)cnc12 ZINC000549764871 315103679 /nfs/dbraw/zinc/10/36/79/315103679.db2.gz WCUINYMOCYMMBI-SFHVURJKSA-N 1 2 329.363 3.073 10 30 EGEELO C=C(C)COc1cc(C[N@H+]2CCC[C@]2(C)C(=O)OC)ccc1OC ZINC000189986471 455267176 /nfs/dbraw/zinc/26/71/76/455267176.db2.gz VPFCMFKANUFUET-LJQANCHMSA-N 1 2 333.428 3.178 10 30 EGEELO C=C(C)COc1cc(C[N@@H+]2CCC[C@]2(C)C(=O)OC)ccc1OC ZINC000189986471 455267180 /nfs/dbraw/zinc/26/71/80/455267180.db2.gz VPFCMFKANUFUET-LJQANCHMSA-N 1 2 333.428 3.178 10 30 EGEELO CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181102471 455287200 /nfs/dbraw/zinc/28/72/00/455287200.db2.gz GGRPOKAJGOZFQV-GJZGRUSLSA-N 1 2 337.826 3.280 10 30 EGEELO CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181102471 455287201 /nfs/dbraw/zinc/28/72/01/455287201.db2.gz GGRPOKAJGOZFQV-GJZGRUSLSA-N 1 2 337.826 3.280 10 30 EGEELO CC(C)(C)c1csc([C@@H]2C[N@@H+](CCCSCC#N)CCO2)n1 ZINC000173876283 455336353 /nfs/dbraw/zinc/33/63/53/455336353.db2.gz QNEXETFMDVEZJG-ZDUSSCGKSA-N 1 2 339.530 3.461 10 30 EGEELO C=CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000245710777 455361295 /nfs/dbraw/zinc/36/12/95/455361295.db2.gz SUAPKIPWIWTOBH-QZTJIDSGSA-N 1 2 349.425 3.318 10 30 EGEELO C=CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000245710777 455361300 /nfs/dbraw/zinc/36/13/00/455361300.db2.gz SUAPKIPWIWTOBH-QZTJIDSGSA-N 1 2 349.425 3.318 10 30 EGEELO C=CCCCN(C)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000077602074 454129659 /nfs/dbraw/zinc/12/96/59/454129659.db2.gz IFUQAGKVATYXCP-OAHLLOKOSA-N 1 2 325.403 3.175 10 30 EGEELO COc1c([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)c(C)nn1C ZINC000072253713 454279333 /nfs/dbraw/zinc/27/93/33/454279333.db2.gz PDNUPFJAGLKUOX-INIZCTEOSA-N 1 2 328.391 3.085 10 30 EGEELO COc1c([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)c(C)nn1C ZINC000072253713 454279338 /nfs/dbraw/zinc/27/93/38/454279338.db2.gz PDNUPFJAGLKUOX-INIZCTEOSA-N 1 2 328.391 3.085 10 30 EGEELO C=CC[N@@H+](CC(=O)NC1CCC(C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297732 454403406 /nfs/dbraw/zinc/40/34/06/454403406.db2.gz GRANNAJBAJRBJG-UHFFFAOYSA-N 1 2 345.443 3.278 10 30 EGEELO C=CC[N@H+](CC(=O)NC1CCC(C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297732 454403411 /nfs/dbraw/zinc/40/34/11/454403411.db2.gz GRANNAJBAJRBJG-UHFFFAOYSA-N 1 2 345.443 3.278 10 30 EGEELO N#Cc1ccc2[nH+]cc(CNc3ccccc3OCC(F)F)n2c1 ZINC000092137472 454527531 /nfs/dbraw/zinc/52/75/31/454527531.db2.gz XZRHVWULDJSDSH-UHFFFAOYSA-N 1 2 328.322 3.462 10 30 EGEELO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000161775664 454721987 /nfs/dbraw/zinc/72/19/87/454721987.db2.gz CFWFCYQEPUYBKP-CYBMUJFWSA-N 1 2 332.363 3.354 10 30 EGEELO CC(C)(C)c1csc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC000176921083 454799859 /nfs/dbraw/zinc/79/98/59/454799859.db2.gz QVMJZYQKTVZZSB-UHFFFAOYSA-N 1 2 341.484 3.029 10 30 EGEELO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)s2)c2nccn2C)cc1 ZINC000176945588 454802595 /nfs/dbraw/zinc/80/25/95/454802595.db2.gz PWUHAIOGPPKRRS-QGZVFWFLSA-N 1 2 338.436 3.241 10 30 EGEELO C=CCOc1cccc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)c1 ZINC000125604939 454834283 /nfs/dbraw/zinc/83/42/83/454834283.db2.gz RIUOVMJABCOOKX-UHFFFAOYSA-N 1 2 336.395 3.328 10 30 EGEELO C=CCOc1cccc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)c1 ZINC000125604939 454834286 /nfs/dbraw/zinc/83/42/86/454834286.db2.gz RIUOVMJABCOOKX-UHFFFAOYSA-N 1 2 336.395 3.328 10 30 EGEELO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1Cl ZINC000114202864 454948073 /nfs/dbraw/zinc/94/80/73/454948073.db2.gz PTQJBBRXNFXFOO-INIZCTEOSA-N 1 2 343.818 3.100 10 30 EGEELO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1Cl ZINC000114202864 454948077 /nfs/dbraw/zinc/94/80/77/454948077.db2.gz PTQJBBRXNFXFOO-INIZCTEOSA-N 1 2 343.818 3.100 10 30 EGEELO C=CCC(CC=C)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000151231865 454955891 /nfs/dbraw/zinc/95/58/91/454955891.db2.gz RNHQWMIRLWSQNL-KRWDZBQOSA-N 1 2 348.512 3.348 10 30 EGEELO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000155199597 454974036 /nfs/dbraw/zinc/97/40/36/454974036.db2.gz DWJPMMDMMMKSMK-STQMWFEESA-N 1 2 339.842 3.308 10 30 EGEELO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000155199597 454974037 /nfs/dbraw/zinc/97/40/37/454974037.db2.gz DWJPMMDMMMKSMK-STQMWFEESA-N 1 2 339.842 3.308 10 30 EGEELO Cc1cc(C#N)ccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000128802739 455084497 /nfs/dbraw/zinc/08/44/97/455084497.db2.gz IPHXCFUUSDZZPK-HNNXBMFYSA-N 1 2 339.464 3.447 10 30 EGEELO N#CC1(c2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)CC1 ZINC000181072043 455283484 /nfs/dbraw/zinc/28/34/84/455283484.db2.gz SCYPUXIZPJPLCZ-UHFFFAOYSA-N 1 2 342.402 3.357 10 30 EGEELO CC(C)(C)c1csc([C@@H]2C[N@H+](CCCSCC#N)CCO2)n1 ZINC000173876283 455336349 /nfs/dbraw/zinc/33/63/49/455336349.db2.gz QNEXETFMDVEZJG-ZDUSSCGKSA-N 1 2 339.530 3.461 10 30 EGEELO CCc1cccc(CC)c1NC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000174223767 455371780 /nfs/dbraw/zinc/37/17/80/455371780.db2.gz PDZIDGDZKXEOFS-AWEZNQCLSA-N 1 2 349.475 3.100 10 30 EGEELO Cc1ccc(C#N)c(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)n1 ZINC000160552965 455474050 /nfs/dbraw/zinc/47/40/50/455474050.db2.gz IMHCJTWBYYUCLY-UHFFFAOYSA-N 1 2 344.821 3.376 10 30 EGEELO C=CCCC[N@@H+](C)Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000182495161 455524923 /nfs/dbraw/zinc/52/49/23/455524923.db2.gz UKINVYUDTKDEKO-UHFFFAOYSA-N 1 2 330.457 3.497 10 30 EGEELO C=CCCC[N@H+](C)Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000182495161 455524927 /nfs/dbraw/zinc/52/49/27/455524927.db2.gz UKINVYUDTKDEKO-UHFFFAOYSA-N 1 2 330.457 3.497 10 30 EGEELO CCC[N@H+](CC#Cc1ccccc1)CC(=O)Nc1ccccc1OC ZINC000191876938 455528164 /nfs/dbraw/zinc/52/81/64/455528164.db2.gz SGRRKOFAFKRCLR-UHFFFAOYSA-N 1 2 336.435 3.397 10 30 EGEELO CCC[N@@H+](CC#Cc1ccccc1)CC(=O)Nc1ccccc1OC ZINC000191876938 455528168 /nfs/dbraw/zinc/52/81/68/455528168.db2.gz SGRRKOFAFKRCLR-UHFFFAOYSA-N 1 2 336.435 3.397 10 30 EGEELO C#CCCCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000192053421 455549100 /nfs/dbraw/zinc/54/91/00/455549100.db2.gz OSLGXDPRYCXWGD-UHFFFAOYSA-N 1 2 339.464 3.443 10 30 EGEELO C#CCCCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000192053421 455549104 /nfs/dbraw/zinc/54/91/04/455549104.db2.gz OSLGXDPRYCXWGD-UHFFFAOYSA-N 1 2 339.464 3.443 10 30 EGEELO N#CC1(c2ccc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2)CC1 ZINC000182673760 455565427 /nfs/dbraw/zinc/56/54/27/455565427.db2.gz HRZXQCHYKZOKGK-UHFFFAOYSA-N 1 2 346.434 3.167 10 30 EGEELO Cc1nc(C(C)C)ccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000293387375 455784592 /nfs/dbraw/zinc/78/45/92/455784592.db2.gz GRRJDJQJXIDVFV-UHFFFAOYSA-N 1 2 335.455 3.102 10 30 EGEELO C#CCCOc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000295066091 455837655 /nfs/dbraw/zinc/83/76/55/455837655.db2.gz HMCFYGSXVFZUDL-LPHOPBHVSA-N 1 2 337.423 3.009 10 30 EGEELO CCOC(=O)c1csc(CC/[NH+]=C/c2cccc(OCC)c2O)n1 ZINC000188553348 456082478 /nfs/dbraw/zinc/08/24/78/456082478.db2.gz PBRLKOSXKOYBJC-VCHYOVAHSA-N 1 2 348.424 3.086 10 30 EGEELO N#Cc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccc1F ZINC000340238891 456332505 /nfs/dbraw/zinc/33/25/05/456332505.db2.gz WMMOKRTUZVKGOQ-RDTXWAMCSA-N 1 2 332.325 3.283 10 30 EGEELO N#Cc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccc1F ZINC000340238891 456332513 /nfs/dbraw/zinc/33/25/13/456332513.db2.gz WMMOKRTUZVKGOQ-RDTXWAMCSA-N 1 2 332.325 3.283 10 30 EGEELO N#Cc1csc(C[NH2+]Cc2ccnc(OCc3ccccc3)c2)n1 ZINC000352842609 456356920 /nfs/dbraw/zinc/35/69/20/456356920.db2.gz WIQSKASLCJGAAM-UHFFFAOYSA-N 1 2 336.420 3.279 10 30 EGEELO CCc1nnc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000353076858 456475011 /nfs/dbraw/zinc/47/50/11/456475011.db2.gz BXZSCZIFAYGEIJ-UHFFFAOYSA-N 1 2 326.347 3.281 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@H](C)c1ccncc1)CCC2 ZINC000328652881 456729143 /nfs/dbraw/zinc/72/91/43/456729143.db2.gz KUBAXSICCZCRCG-ZBFHGGJFSA-N 1 2 327.432 3.071 10 30 EGEELO CCc1ccc(C[NH+]2CCN(C(=O)C3(C#N)CCCC3)CC2)s1 ZINC000349195248 456910134 /nfs/dbraw/zinc/91/01/34/456910134.db2.gz FBZNTXUJADVZLU-UHFFFAOYSA-N 1 2 331.485 3.039 10 30 EGEELO COc1ccc(CNC(=O)C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000329654515 456922049 /nfs/dbraw/zinc/92/20/49/456922049.db2.gz FIDVFFLIDNUKHK-LJQANCHMSA-N 1 2 346.471 3.433 10 30 EGEELO COc1ccc(CNC(=O)C[N@H+]2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000329654515 456922052 /nfs/dbraw/zinc/92/20/52/456922052.db2.gz FIDVFFLIDNUKHK-LJQANCHMSA-N 1 2 346.471 3.433 10 30 EGEELO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CCO[C@H](C3CC3)C2)c(C)c1 ZINC000330111463 456986763 /nfs/dbraw/zinc/98/67/63/456986763.db2.gz BCPWHSGCCIGDMB-PBHICJAKSA-N 1 2 345.443 3.305 10 30 EGEELO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CCO[C@H](C3CC3)C2)c(C)c1 ZINC000330111463 456986769 /nfs/dbraw/zinc/98/67/69/456986769.db2.gz BCPWHSGCCIGDMB-PBHICJAKSA-N 1 2 345.443 3.305 10 30 EGEELO C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC(C)(C)C)c[nH+]2)C[C@@H](C)O1 ZINC000330416428 457041425 /nfs/dbraw/zinc/04/14/25/457041425.db2.gz OGVZWMBBKKGPKU-HUUCEWRRSA-N 1 2 348.491 3.087 10 30 EGEELO CC(C)C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330942016 457107773 /nfs/dbraw/zinc/10/77/73/457107773.db2.gz ZJIQFSIVTCVRDU-LBPRGKRZSA-N 1 2 332.370 3.227 10 30 EGEELO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H]2C)c1C#N ZINC000339573723 457150128 /nfs/dbraw/zinc/15/01/28/457150128.db2.gz OLSSNFPWRBXZMS-DZGCQCFKSA-N 1 2 336.439 3.245 10 30 EGEELO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2C)c1C#N ZINC000339573723 457150156 /nfs/dbraw/zinc/15/01/56/457150156.db2.gz OLSSNFPWRBXZMS-DZGCQCFKSA-N 1 2 336.439 3.245 10 30 EGEELO Cc1ccc(Cl)c(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1C ZINC000331239102 457152439 /nfs/dbraw/zinc/15/24/39/457152439.db2.gz LXDBYMYPFVANGX-ZIAGYGMSSA-N 1 2 339.867 3.392 10 30 EGEELO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331289770 457160585 /nfs/dbraw/zinc/16/05/85/457160585.db2.gz AZCBUBXLXXMFKV-LBPRGKRZSA-N 1 2 329.448 3.314 10 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330.428 3.261 10 30 EGEELO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)c1C ZINC000593121510 459779883 /nfs/dbraw/zinc/77/98/83/459779883.db2.gz BRLRHSBHHWEHQP-LJQANCHMSA-N 1 2 336.435 3.239 10 30 EGEELO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)c1C ZINC000593121510 459779887 /nfs/dbraw/zinc/77/98/87/459779887.db2.gz BRLRHSBHHWEHQP-LJQANCHMSA-N 1 2 336.435 3.239 10 30 EGEELO COc1c(C)c[nH+]c(CN(C)C(=O)NCC2(C#N)CCCCC2)c1C ZINC000596865654 459781482 /nfs/dbraw/zinc/78/14/82/459781482.db2.gz FNUINIGEBXTDRC-UHFFFAOYSA-N 1 2 344.459 3.323 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000565552243 459785650 /nfs/dbraw/zinc/78/56/50/459785650.db2.gz UGUTVVMPKRUJCA-AYOQOUSVSA-N 1 2 331.435 3.000 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000565552243 459785655 /nfs/dbraw/zinc/78/56/55/459785655.db2.gz UGUTVVMPKRUJCA-AYOQOUSVSA-N 1 2 331.435 3.000 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 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DVISHZHEOHUEIV-KBXCAEBGSA-N 1 2 336.439 3.193 10 30 EGEELO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000597183766 459866363 /nfs/dbraw/zinc/86/63/63/459866363.db2.gz DVISHZHEOHUEIV-KDOFPFPSSA-N 1 2 336.439 3.193 10 30 EGEELO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000597183766 459866365 /nfs/dbraw/zinc/86/63/65/459866365.db2.gz DVISHZHEOHUEIV-KDOFPFPSSA-N 1 2 336.439 3.193 10 30 EGEELO COc1ccc(F)c(C[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000597184707 459867367 /nfs/dbraw/zinc/86/73/67/459867367.db2.gz ZMOBIRAVWDAMKN-UHFFFAOYSA-N 1 2 331.416 3.090 10 30 EGEELO Cn1cc(CNc2cc(CC#N)cc[nH+]2)c(-c2ccc(C#N)cc2)n1 ZINC000545927248 459873241 /nfs/dbraw/zinc/87/32/41/459873241.db2.gz WUEAUBCQAMXDOM-UHFFFAOYSA-N 1 2 328.379 3.032 10 30 EGEELO N#Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C(F)F)C3CCCCC3)C2=O)cc1 ZINC000598651150 459977496 /nfs/dbraw/zinc/97/74/96/459977496.db2.gz WROXDDIWHXRRQL-IAGOWNOFSA-N 1 2 347.409 3.467 10 30 EGEELO 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KBQGKPGUSBLWDN-HXUWFJFHSA-N 1 2 336.435 3.099 10 30 EGEELO C=CCCC(C)(C)CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000633411506 461075813 /nfs/dbraw/zinc/07/58/13/461075813.db2.gz VAAQJDZUVYSNAA-QGZVFWFLSA-N 1 2 344.503 3.462 10 30 EGEELO C=CC(C)(C)CNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000641832521 461393228 /nfs/dbraw/zinc/39/32/28/461393228.db2.gz SPVVZNRDIOVUTA-HNNXBMFYSA-N 1 2 330.407 3.492 10 30 EGEELO C=CCCn1cc(C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)nn1 ZINC000653503681 461679560 /nfs/dbraw/zinc/67/95/60/461679560.db2.gz QWSZDGXFNCJEQC-UHFFFAOYSA-N 1 2 338.455 3.258 10 30 EGEELO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653909550 461932413 /nfs/dbraw/zinc/93/24/13/461932413.db2.gz JYLRNRXGQNOUOD-FUHWJXTLSA-N 1 2 339.439 3.137 10 30 EGEELO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000660949984 462035448 /nfs/dbraw/zinc/03/54/48/462035448.db2.gz GZPZZJIOJHMVHD-IXDOHACOSA-N 1 2 328.460 3.094 10 30 EGEELO COc1ccc(C(=O)C2CC[NH+](Cc3ccncc3C#N)CC2)cc1 ZINC000645769440 462418948 /nfs/dbraw/zinc/41/89/48/462418948.db2.gz MDAJUVLYBMRTDC-UHFFFAOYSA-N 1 2 335.407 3.057 10 30 EGEELO C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@H](C)CC)CC1 ZINC000034906468 519268219 /nfs/dbraw/zinc/26/82/19/519268219.db2.gz JWDXETWACFLCTP-OAHLLOKOSA-N 1 2 340.471 3.353 10 30 EGEELO C[C@@H](O[NH+]=C(N)c1ccc(Cl)cc1)C(=O)NC1CCCCCC1 ZINC000031083364 525882943 /nfs/dbraw/zinc/88/29/43/525882943.db2.gz CQSWTJHQHALTNI-GFCCVEGCSA-N 1 2 337.851 3.204 10 30 EGEELO N#CCC[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000370871906 547792796 /nfs/dbraw/zinc/79/27/96/547792796.db2.gz DTYGQLXZAFAEMK-KRWDZBQOSA-N 1 2 337.427 3.344 10 30 EGEELO N#CCC[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000370871906 547792802 /nfs/dbraw/zinc/79/28/02/547792802.db2.gz DTYGQLXZAFAEMK-KRWDZBQOSA-N 1 2 337.427 3.344 10 30 EGEELO Cc1[nH+]c2ccccn2c1CN=Nc1ccc(Br)cn1 ZINC000727266355 574656327 /nfs/dbraw/zinc/65/63/27/574656327.db2.gz QZLSYMSSCHJFJA-UHFFFAOYSA-N 1 2 330.189 3.246 10 30 EGEELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735311518 575640276 /nfs/dbraw/zinc/64/02/76/575640276.db2.gz RRYLFCCTQVKEKC-INIZCTEOSA-N 1 2 349.862 3.075 10 30 EGEELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735311518 575640278 /nfs/dbraw/zinc/64/02/78/575640278.db2.gz RRYLFCCTQVKEKC-INIZCTEOSA-N 1 2 349.862 3.075 10 30 EGEELO CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000738951863 576370357 /nfs/dbraw/zinc/37/03/57/576370357.db2.gz LLFQEUWDXUQFER-INIZCTEOSA-N 1 2 349.394 3.337 10 30 EGEELO N#Cc1ccc(CSCc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000871704865 1296490880 /nfs/dbraw/zinc/49/08/80/1296490880.db2.gz XQXJVFIICIODEA-UHFFFAOYSA-N 1 2 328.437 3.417 10 30 EGEELO C=CCCn1cc(C[N@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)nn1 ZINC000877783763 1299555012 /nfs/dbraw/zinc/55/50/12/1299555012.db2.gz FZOOONSYAICTLR-OAHLLOKOSA-N 1 2 328.464 3.080 10 30 EGEELO C=CCCn1cc(C[N@@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)nn1 ZINC000877783763 1299555023 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Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000929244142 1328547776 /nfs/dbraw/zinc/54/77/76/1328547776.db2.gz JRCSXNXJDQHQAI-UHFFFAOYSA-N 1 2 332.407 3.456 10 30 EGEELO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccccc2CF)CC1 ZINC000929876374 1328727690 /nfs/dbraw/zinc/72/76/90/1328727690.db2.gz DYCGLMMSXMTUAG-UHFFFAOYSA-N 1 2 340.402 3.215 10 30 EGEELO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000852332275 1323178305 /nfs/dbraw/zinc/17/83/05/1323178305.db2.gz PYCOWNSHBBYIRI-IEBWSBKVSA-N 1 2 325.456 3.431 10 30 EGEELO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000852332275 1323178309 /nfs/dbraw/zinc/17/83/09/1323178309.db2.gz PYCOWNSHBBYIRI-IEBWSBKVSA-N 1 2 325.456 3.431 10 30 EGEELO CC[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cccc(C#N)c1O ZINC000924840586 1323183931 /nfs/dbraw/zinc/18/39/31/1323183931.db2.gz ZAHKMCKQDFMGIM-IBGZPJMESA-N 1 2 349.434 3.397 10 30 EGEELO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(C#N)c1O ZINC000925274806 1325110716 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ZINC001491219607 1394478357 /nfs/dbraw/zinc/47/83/57/1394478357.db2.gz VHOQWYHFDUURMT-OAHLLOKOSA-N 1 2 345.487 3.236 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1noc2c1CCCC2 ZINC001491219607 1394478360 /nfs/dbraw/zinc/47/83/60/1394478360.db2.gz VHOQWYHFDUURMT-OAHLLOKOSA-N 1 2 345.487 3.236 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001481740719 1394487288 /nfs/dbraw/zinc/48/72/88/1394487288.db2.gz SJVGJXLCHFZVHE-KXBFYZLASA-N 1 2 333.476 3.433 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001481740719 1394487290 /nfs/dbraw/zinc/48/72/90/1394487290.db2.gz SJVGJXLCHFZVHE-KXBFYZLASA-N 1 2 333.476 3.433 10 30 EGEELO C=CCCCC(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2nnc(C)s2)C1 ZINC001481773646 1394518333 /nfs/dbraw/zinc/51/83/33/1394518333.db2.gz YZMBMEYXCVFTFW-UKRRQHHQSA-N 1 2 336.505 3.187 10 30 EGEELO C=CCCCC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2nnc(C)s2)C1 ZINC001481773646 1394518339 /nfs/dbraw/zinc/51/83/39/1394518339.db2.gz YZMBMEYXCVFTFW-UKRRQHHQSA-N 1 2 336.505 3.187 10 30 EGEELO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H](CC)C2CCC(C)CC2)C1 ZINC001483867197 1395121090 /nfs/dbraw/zinc/12/10/90/1395121090.db2.gz VIIPCGLGVUNFNV-FAFZWHIHSA-N 1 2 336.520 3.184 10 30 EGEELO C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001484136326 1395273331 /nfs/dbraw/zinc/27/33/31/1395273331.db2.gz CHMNXYFKJRASIQ-QWHCGFSZSA-N 1 2 338.389 3.460 10 30 EGEELO C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001484136326 1395273333 /nfs/dbraw/zinc/27/33/33/1395273333.db2.gz CHMNXYFKJRASIQ-QWHCGFSZSA-N 1 2 338.389 3.460 10 30 EGEELO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001484164966 1395301138 /nfs/dbraw/zinc/30/11/38/1395301138.db2.gz JDJNNRNVCBQWRJ-IFXJQAMLSA-N 1 2 348.491 3.260 10 30 EGEELO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001484164966 1395301156 /nfs/dbraw/zinc/30/11/56/1395301156.db2.gz JDJNNRNVCBQWRJ-IFXJQAMLSA-N 1 2 348.491 3.260 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)CCC[N@H+](C)CC(=C)Br ZINC001484753036 1395505272 /nfs/dbraw/zinc/50/52/72/1395505272.db2.gz MWOWDCMBONBWQM-UHFFFAOYSA-N 1 2 331.298 3.278 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)CCC[N@@H+](C)CC(=C)Br ZINC001484753036 1395505273 /nfs/dbraw/zinc/50/52/73/1395505273.db2.gz MWOWDCMBONBWQM-UHFFFAOYSA-N 1 2 331.298 3.278 10 30 EGEELO C[C@H]1CCC[C@]1(C)C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001698993862 1406787987 /nfs/dbraw/zinc/78/79/87/1406787987.db2.gz FALCRDXDUSEVJQ-JXFKEZNVSA-N 1 2 327.472 3.275 10 30 EGEELO C[C@H]1CCC[C@]1(C)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001698993862 1406787988 /nfs/dbraw/zinc/78/79/88/1406787988.db2.gz FALCRDXDUSEVJQ-JXFKEZNVSA-N 1 2 327.472 3.275 10 30 EGEELO C[C@@H]1CCC[C@@]1(C)C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001698993866 1406788829 /nfs/dbraw/zinc/78/88/29/1406788829.db2.gz FALCRDXDUSEVJQ-OXQOHEQNSA-N 1 2 327.472 3.275 10 30 EGEELO C[C@@H]1CCC[C@@]1(C)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001698993866 1406788836 /nfs/dbraw/zinc/78/88/36/1406788836.db2.gz FALCRDXDUSEVJQ-OXQOHEQNSA-N 1 2 327.472 3.275 10 30 EGEELO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC001485563466 1396021773 /nfs/dbraw/zinc/02/17/73/1396021773.db2.gz BYRBFIDNZWLOHU-MRXNPFEDSA-N 1 2 347.890 3.255 10 30 EGEELO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC001485563466 1396021777 /nfs/dbraw/zinc/02/17/77/1396021777.db2.gz BYRBFIDNZWLOHU-MRXNPFEDSA-N 1 2 347.890 3.255 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC001502968776 1396236062 /nfs/dbraw/zinc/23/60/62/1396236062.db2.gz MXFZFZHCLKRFDY-NVXWUHKLSA-N 1 2 343.471 3.215 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC001502968776 1396236067 /nfs/dbraw/zinc/23/60/67/1396236067.db2.gz MXFZFZHCLKRFDY-NVXWUHKLSA-N 1 2 343.471 3.215 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+]1Cc1noc2c1CCCC2 ZINC001493134032 1396337528 /nfs/dbraw/zinc/33/75/28/1396337528.db2.gz VBRQWNJJKPZXOK-FOIQADDNSA-N 1 2 345.487 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ZINC001689362567 1403698513 /nfs/dbraw/zinc/69/85/13/1403698513.db2.gz BFBIRXRQGWFNFD-OLZOCXBDSA-N 1 2 338.389 3.460 10 30 EGEELO C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1noc(C(C)C)n1 ZINC001689902669 1404195947 /nfs/dbraw/zinc/19/59/47/1404195947.db2.gz LOYUSWLHTLFPEO-CVEARBPZSA-N 1 2 348.491 3.409 10 30 EGEELO Cc1ccc(F)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)(C)C ZINC001690205240 1404413551 /nfs/dbraw/zinc/41/35/51/1404413551.db2.gz GHUQVPUZOJXIEF-KDURUIRLSA-N 1 2 342.458 3.359 10 30 EGEELO Cc1ccc(F)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)(C)C ZINC001690205240 1404413553 /nfs/dbraw/zinc/41/35/53/1404413553.db2.gz GHUQVPUZOJXIEF-KDURUIRLSA-N 1 2 342.458 3.359 10 30 EGEELO CC(C)N(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CC12CC2 ZINC001725730562 1426400388 /nfs/dbraw/zinc/40/03/88/1426400388.db2.gz WRRHCORYAGPNAB-KRWDZBQOSA-N 1 2 343.446 3.166 10 30 EGEELO CC(C)N(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CC12CC2 ZINC001725730562 1426400389 /nfs/dbraw/zinc/40/03/89/1426400389.db2.gz WRRHCORYAGPNAB-KRWDZBQOSA-N 1 2 343.446 3.166 10 30 EGEELO C=C[C@@H](C(=O)NCC[N@H+](Cc1ccns1)C1CC1)c1ccccc1 ZINC001691237251 1405176590 /nfs/dbraw/zinc/17/65/90/1405176590.db2.gz UKHFZTYHTSNZHK-GOSISDBHSA-N 1 2 341.480 3.194 10 30 EGEELO C=C[C@@H](C(=O)NCC[N@@H+](Cc1ccns1)C1CC1)c1ccccc1 ZINC001691237251 1405176591 /nfs/dbraw/zinc/17/65/91/1405176591.db2.gz UKHFZTYHTSNZHK-GOSISDBHSA-N 1 2 341.480 3.194 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1nc2ccccc2o1 ZINC001691398826 1405235399 /nfs/dbraw/zinc/23/53/99/1405235399.db2.gz KHEUHUZSTIOWMZ-QRWLVFNGSA-N 1 2 341.455 3.463 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1nc2ccccc2o1 ZINC001691398826 1405235402 /nfs/dbraw/zinc/23/54/02/1405235402.db2.gz KHEUHUZSTIOWMZ-QRWLVFNGSA-N 1 2 341.455 3.463 10 30 EGEELO C=C(Cl)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC(C)=O)C(C)(C)[C@H]21 ZINC001691428891 1405262922 /nfs/dbraw/zinc/26/29/22/1405262922.db2.gz RKLTYELZSQHKCT-OIISXLGYSA-N 1 2 340.895 3.103 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC(C)=O)C(C)(C)[C@H]21 ZINC001691428891 1405262924 /nfs/dbraw/zinc/26/29/24/1405262924.db2.gz RKLTYELZSQHKCT-OIISXLGYSA-N 1 2 340.895 3.103 10 30 EGEELO C=CCCCC(=O)N1CCCCC[C@@H]([NH2+]Cc2noc(C(C)C)n2)C1 ZINC001691629618 1405367129 /nfs/dbraw/zinc/36/71/29/1405367129.db2.gz RWKYGQQIOUMUGE-MRXNPFEDSA-N 1 2 348.491 3.410 10 30 EGEELO CC(C)CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001691639254 1405373813 /nfs/dbraw/zinc/37/38/13/1405373813.db2.gz NZKHHEPRDDBHLY-QAPCUYQASA-N 1 2 332.875 3.317 10 30 EGEELO CC(C)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001691639254 1405373816 /nfs/dbraw/zinc/37/38/16/1405373816.db2.gz NZKHHEPRDDBHLY-QAPCUYQASA-N 1 2 332.875 3.317 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)/C(C)=C/CC)[C@H]1CC ZINC001692170691 1405820013 /nfs/dbraw/zinc/82/00/13/1405820013.db2.gz VDAHJLBWUUPWGA-WANXEPPHSA-N 1 2 329.282 3.220 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)[C@H]1CC ZINC001692170691 1405820021 /nfs/dbraw/zinc/82/00/21/1405820021.db2.gz VDAHJLBWUUPWGA-WANXEPPHSA-N 1 2 329.282 3.220 10 30 EGEELO C=CC1(CC(=O)NC2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)CCCCC1 ZINC001692241315 1405866405 /nfs/dbraw/zinc/86/64/05/1405866405.db2.gz FZWSGOQTHZADRF-KRWDZBQOSA-N 1 2 334.504 3.129 10 30 EGEELO C=C[C@H](CC)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001692326051 1405945682 /nfs/dbraw/zinc/94/56/82/1405945682.db2.gz MZMBSPOSLUDUGS-HUUCEWRRSA-N 1 2 336.505 3.001 10 30 EGEELO CC(C)c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C#CC(C)(C)C)n1 ZINC001692365063 1405976699 /nfs/dbraw/zinc/97/66/99/1405976699.db2.gz WWRDQMRMFSSACM-ROUUACIJSA-N 1 2 339.483 3.040 10 30 EGEELO CC(C)c1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C#CC(C)(C)C)n1 ZINC001692365063 1405976703 /nfs/dbraw/zinc/97/67/03/1405976703.db2.gz WWRDQMRMFSSACM-ROUUACIJSA-N 1 2 339.483 3.040 10 30 EGEELO C=C1CCC(C(=O)NCCC[N@H+](Cc2csnn2)C(C)C)CC1 ZINC001732013297 1428228293 /nfs/dbraw/zinc/22/82/93/1428228293.db2.gz 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C=CC(C)(C)CC(=O)N[C@H]1C[N@H+](Cc2ncc(CC)o2)CC1(C)C ZINC001734146000 1437913960 /nfs/dbraw/zinc/91/39/60/1437913960.db2.gz NEYDHRUJKFQEMQ-HNNXBMFYSA-N 1 2 333.476 3.166 10 30 EGEELO CC(C)N(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001734552724 1438150843 /nfs/dbraw/zinc/15/08/43/1438150843.db2.gz WDTKKABRWUNBFX-PMOLBWCYSA-N 1 2 339.483 3.273 10 30 EGEELO CC(C)N(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001734552724 1438150844 /nfs/dbraw/zinc/15/08/44/1438150844.db2.gz WDTKKABRWUNBFX-PMOLBWCYSA-N 1 2 339.483 3.273 10 30 EGEELO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H](CC)OC2CCCC2)CC1 ZINC001734633916 1438194733 /nfs/dbraw/zinc/19/47/33/1438194733.db2.gz MRAGHXNPFGJIAI-KRWDZBQOSA-N 1 2 340.895 3.225 10 30 EGEELO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H](CC)OC2CCCC2)CC1 ZINC001734633916 1438194735 /nfs/dbraw/zinc/19/47/35/1438194735.db2.gz MRAGHXNPFGJIAI-KRWDZBQOSA-N 1 2 340.895 3.225 10 30 EGEELO C=CCN(C)c1nnc(C2CC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001740897917 1439500535 /nfs/dbraw/zinc/50/05/35/1439500535.db2.gz YXLFSDAKSGYFLQ-UHFFFAOYSA-N 1 2 340.475 3.067 10 30 EGEELO C=CCN(C)c1nnc([C@H](C)CC)n1CCc1cn2ccccc2[nH+]1 ZINC001749465686 1440098951 /nfs/dbraw/zinc/09/89/51/1440098951.db2.gz VYHUGELUZMYINV-OAHLLOKOSA-N 1 2 338.459 3.304 10 30 EGEELO C#C[C@H](C)N(C)c1nnc([C@@H](C)CC)n1CCCNc1cccc[nH+]1 ZINC001760098190 1441365667 /nfs/dbraw/zinc/36/56/67/1441365667.db2.gz PQZDFHLWKMUSNE-HOTGVXAUSA-N 1 2 340.475 3.147 10 30 EGEELO N#Cc1cc2c(N)c3c(nc2nc1Cl)CC[N@@H+](Cc1ccccc1)C3 ZINC000066251858 283115001 /nfs/dbraw/zinc/11/50/01/283115001.db2.gz AJSOITFEAIHORD-UHFFFAOYSA-N 1 2 349.825 3.295 10 30 EGEELO N#Cc1cc2c(N)c3c(nc2nc1Cl)CC[N@H+](Cc1ccccc1)C3 ZINC000066251858 283115007 /nfs/dbraw/zinc/11/50/07/283115007.db2.gz AJSOITFEAIHORD-UHFFFAOYSA-N 1 2 349.825 3.295 10 30 EGEELO COC(=O)[C@@H](C)Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000184771379 144099492 /nfs/dbraw/zinc/09/94/92/144099492.db2.gz AQQIMRFAVLNOHO-AWEZNQCLSA-N 1 2 348.406 3.170 10 30 EGEELO CN(C)c1ccc(Nc2c(C#N)cnc3c(F)c(F)c(F)cc32)c[nH+]1 ZINC000341433850 155289830 /nfs/dbraw/zinc/28/98/30/155289830.db2.gz QCTAJSZVCJTVFT-UHFFFAOYSA-N 1 2 343.312 3.150 10 30 EGEELO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)cc1 ZINC000120220780 152260357 /nfs/dbraw/zinc/26/03/57/152260357.db2.gz SRJGHYMFMNFPMM-KRWDZBQOSA-N 1 2 341.436 3.231 10 30 EGEELO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)cc1 ZINC000120220780 152260360 /nfs/dbraw/zinc/26/03/60/152260360.db2.gz SRJGHYMFMNFPMM-KRWDZBQOSA-N 1 2 341.436 3.231 10 30 EGEELO N#Cc1ccc(OCCC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000126744664 162311524 /nfs/dbraw/zinc/31/15/24/162311524.db2.gz OKWUFCNUPUBKCG-HXUWFJFHSA-N 1 2 338.407 3.106 10 30 EGEELO N#Cc1ccc(OCCC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000126744664 162311525 /nfs/dbraw/zinc/31/15/25/162311525.db2.gz OKWUFCNUPUBKCG-HXUWFJFHSA-N 1 2 338.407 3.106 10 30 EGEELO N#Cc1ccc2[nH+]cc(CN3CCCC[C@@H]3c3noc(C4CC4)n3)n2c1 ZINC000367423816 168223339 /nfs/dbraw/zinc/22/33/39/168223339.db2.gz XCZDYKUABUHBAV-MRXNPFEDSA-N 1 2 348.410 3.194 10 30 EGEELO C[C@@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1ccc(C#N)cc1 ZINC000435970997 269844759 /nfs/dbraw/zinc/84/47/59/269844759.db2.gz KTIFVYSPXLPEIS-CQSZACIVSA-N 1 2 335.386 3.188 10 30 EGEELO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1snc(C)c1C#N ZINC000297349389 270042958 /nfs/dbraw/zinc/04/29/58/270042958.db2.gz FVOAYZZNDPKJDW-UHFFFAOYSA-N 1 2 346.460 3.026 10 30 EGEELO Cc1cc(N2CCC(C(=O)NCc3ccccc3)CC2)c(C#N)c(C)[nH+]1 ZINC000301797839 267334340 /nfs/dbraw/zinc/33/43/40/267334340.db2.gz ULPNLHWADJOWNO-UHFFFAOYSA-N 1 2 348.450 3.103 10 30 EGEELO N#Cc1ccc(C[N@H+](Cc2cnnn2Cc2ccccc2)C2CC2)cc1 ZINC000292495107 268064389 /nfs/dbraw/zinc/06/43/89/268064389.db2.gz GATBURLJUUGILV-UHFFFAOYSA-N 1 2 343.434 3.363 10 30 EGEELO N#Cc1ccc(C[N@@H+](Cc2cnnn2Cc2ccccc2)C2CC2)cc1 ZINC000292495107 268064394 /nfs/dbraw/zinc/06/43/94/268064394.db2.gz GATBURLJUUGILV-UHFFFAOYSA-N 1 2 343.434 3.363 10 30 EGEELO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459398439 268072424 /nfs/dbraw/zinc/07/24/24/268072424.db2.gz YFRPAEIZOKTCCP-INIZCTEOSA-N 1 2 325.372 3.144 10 30 EGEELO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459398439 268072427 /nfs/dbraw/zinc/07/24/27/268072427.db2.gz YFRPAEIZOKTCCP-INIZCTEOSA-N 1 2 325.372 3.144 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)c(Br)c1 ZINC000411847830 268222139 /nfs/dbraw/zinc/22/21/39/268222139.db2.gz MZGYMZRTLZMDOY-INIZCTEOSA-N 1 2 335.245 3.322 10 30 EGEELO N#Cc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)c(Br)c1 ZINC000411847830 268222140 /nfs/dbraw/zinc/22/21/40/268222140.db2.gz MZGYMZRTLZMDOY-INIZCTEOSA-N 1 2 335.245 3.322 10 30 EGEELO Cc1cc(C#N)ccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278928172 275288530 /nfs/dbraw/zinc/28/85/30/275288530.db2.gz JMZLHVWAXJFTTI-UHFFFAOYSA-N 1 2 348.450 3.419 10 30 EGEELO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000348268367 279077770 /nfs/dbraw/zinc/07/77/70/279077770.db2.gz CCRHJPDWMMAYIH-MFKMUULPSA-N 1 2 336.317 3.381 10 30 EGEELO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000348268367 279077772 /nfs/dbraw/zinc/07/77/72/279077772.db2.gz CCRHJPDWMMAYIH-MFKMUULPSA-N 1 2 336.317 3.381 10 30 EGEELO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(C#N)c1C ZINC000348246578 279284013 /nfs/dbraw/zinc/28/40/13/279284013.db2.gz REDKOWIWVGRPDI-BXKDBHETSA-N 1 2 345.390 3.448 10 30 EGEELO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(C#N)c1C ZINC000348246578 279284018 /nfs/dbraw/zinc/28/40/18/279284018.db2.gz REDKOWIWVGRPDI-BXKDBHETSA-N 1 2 345.390 3.448 10 30 EGEELO N#Cc1ccc(Br)c(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000249044773 308017543 /nfs/dbraw/zinc/01/75/43/308017543.db2.gz NPRCZQIRHVPGDM-HZPDHXFCSA-N 1 2 335.245 3.464 10 30 EGEELO N#Cc1ccc(Br)c(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000249044773 308017545 /nfs/dbraw/zinc/01/75/45/308017545.db2.gz NPRCZQIRHVPGDM-HZPDHXFCSA-N 1 2 335.245 3.464 10 30 EGEELO COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000564638099 316179397 /nfs/dbraw/zinc/17/93/97/316179397.db2.gz QMYUXOOTDIOZPW-UHFFFAOYSA-N 1 2 348.362 3.194 10 30 EGEELO COCc1nc2cc(NCc3c[nH+]c4ccc(C#N)cn34)ccc2o1 ZINC000175979681 323325625 /nfs/dbraw/zinc/32/56/25/323325625.db2.gz QNIYITPMPZOOCB-UHFFFAOYSA-N 1 2 333.351 3.106 10 30 EGEELO Cc1csc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000184185476 323645699 /nfs/dbraw/zinc/64/56/99/323645699.db2.gz PIULRTBUYWVQFN-QWRGUYRKSA-N 1 2 332.429 3.211 10 30 EGEELO Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000612161469 460556275 /nfs/dbraw/zinc/55/62/75/460556275.db2.gz TYBLNXVREZXWGD-MJGOQNOKSA-N 1 2 329.419 3.255 10 30 EGEELO Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1=O ZINC000612161469 460556281 /nfs/dbraw/zinc/55/62/81/460556281.db2.gz TYBLNXVREZXWGD-MJGOQNOKSA-N 1 2 329.419 3.255 10 30 EGEELO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)ONC(=[NH2+])c1cccnc1 ZINC000008570276 453215119 /nfs/dbraw/zinc/21/51/19/453215119.db2.gz KIFJUQXQFWDZTL-ZDUSSCGKSA-N 1 2 341.411 3.010 10 30 EGEELO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014013971 453498007 /nfs/dbraw/zinc/49/80/07/453498007.db2.gz OWGAMMJDMVFECU-WCQYABFASA-N 1 2 325.334 3.160 10 30 EGEELO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014013971 453498021 /nfs/dbraw/zinc/49/80/21/453498021.db2.gz OWGAMMJDMVFECU-WCQYABFASA-N 1 2 325.334 3.160 10 30 EGEELO C=CCOc1c(Cl)cc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1OC ZINC000623563179 460614939 /nfs/dbraw/zinc/61/49/39/460614939.db2.gz QKMUYNNCWKUASL-FZMZJTMJSA-N 1 2 348.834 3.301 10 30 EGEELO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)n1 ZINC000184264272 455366472 /nfs/dbraw/zinc/36/64/72/455366472.db2.gz MXUMYQXYBOMVQH-JTQLQIEISA-N 1 2 334.470 3.291 10 30 EGEELO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000053076078 453856295 /nfs/dbraw/zinc/85/62/95/453856295.db2.gz IWFYIJKOSPCSHD-MRXNPFEDSA-N 1 2 343.427 3.404 10 30 EGEELO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000053076078 453856301 /nfs/dbraw/zinc/85/63/01/453856301.db2.gz IWFYIJKOSPCSHD-MRXNPFEDSA-N 1 2 343.427 3.404 10 30 EGEELO COc1cc(Br)c(C[NH2+][C@H]2CCC[C@H]2C#N)cc1OC ZINC000061892101 454363095 /nfs/dbraw/zinc/36/30/95/454363095.db2.gz MSEARZSQOWYNMU-GWCFXTLKSA-N 1 2 339.233 3.248 10 30 EGEELO N#CCSc1cccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000079800638 454480867 /nfs/dbraw/zinc/48/08/67/454480867.db2.gz JLIAIUCOLXKMBN-HNNXBMFYSA-N 1 2 326.425 3.393 10 30 EGEELO O=C1C[C@@H](c2ccccc2)[N@H+](CC#Cc2ccccc2Cl)CCN1 ZINC000135023827 454625903 /nfs/dbraw/zinc/62/59/03/454625903.db2.gz AHRSCVRDTWWTHT-IBGZPJMESA-N 1 2 338.838 3.255 10 30 EGEELO O=C1C[C@@H](c2ccccc2)[N@@H+](CC#Cc2ccccc2Cl)CCN1 ZINC000135023827 454625907 /nfs/dbraw/zinc/62/59/07/454625907.db2.gz AHRSCVRDTWWTHT-IBGZPJMESA-N 1 2 338.838 3.255 10 30 EGEELO C=CCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000125159387 454801045 /nfs/dbraw/zinc/80/10/45/454801045.db2.gz BPDBEJAIEXDEFN-QAPCUYQASA-N 1 2 325.412 3.171 10 30 EGEELO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000177641634 454887340 /nfs/dbraw/zinc/88/73/40/454887340.db2.gz HOYSOAOGJWNRCJ-OAHLLOKOSA-N 1 2 329.419 3.115 10 30 EGEELO N#CCC[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000160688462 455487662 /nfs/dbraw/zinc/48/76/62/455487662.db2.gz TUHHLZVXBWHICP-MSOLQXFVSA-N 1 2 337.427 3.102 10 30 EGEELO C=CCOc1ccccc1C[N@@H+](CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000160771562 455496617 /nfs/dbraw/zinc/49/66/17/455496617.db2.gz VCIQFSJISBZNPW-KRWDZBQOSA-N 1 2 337.485 3.041 10 30 EGEELO C=CCOc1ccccc1C[N@H+](CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000160771562 455496619 /nfs/dbraw/zinc/49/66/19/455496619.db2.gz VCIQFSJISBZNPW-KRWDZBQOSA-N 1 2 337.485 3.041 10 30 EGEELO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000170901420 454997049 /nfs/dbraw/zinc/99/70/49/454997049.db2.gz POUCCAZTTNWFCU-ZDUSSCGKSA-N 1 2 337.876 3.024 10 30 EGEELO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000170901420 454997052 /nfs/dbraw/zinc/99/70/52/454997052.db2.gz POUCCAZTTNWFCU-ZDUSSCGKSA-N 1 2 337.876 3.024 10 30 EGEELO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000179911091 455097799 /nfs/dbraw/zinc/09/77/99/455097799.db2.gz XQEGZKJSLLRJGW-LLVKDONJSA-N 1 2 345.374 3.205 10 30 EGEELO C=CCNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245583241 455335447 /nfs/dbraw/zinc/33/54/47/455335447.db2.gz IFBBJGCIRAWMPX-LSDHHAIUSA-N 1 2 325.815 3.100 10 30 EGEELO C=CCNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245583241 455335449 /nfs/dbraw/zinc/33/54/49/455335449.db2.gz IFBBJGCIRAWMPX-LSDHHAIUSA-N 1 2 325.815 3.100 10 30 EGEELO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)[C@@H](c2ccccc2)CO1 ZINC000245812070 455381784 /nfs/dbraw/zinc/38/17/84/455381784.db2.gz ZOOCZTMIVMFZJP-DNVCBOLYSA-N 1 2 332.407 3.168 10 30 EGEELO C[N@@H+]1CC[C@@H](NC(=O)c2sccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000246350962 455475065 /nfs/dbraw/zinc/47/50/65/455475065.db2.gz FNEXSSWGNRSYFE-HUUCEWRRSA-N 1 2 347.390 3.073 10 30 EGEELO C[N@H+]1CC[C@@H](NC(=O)c2sccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000246350962 455475069 /nfs/dbraw/zinc/47/50/69/455475069.db2.gz FNEXSSWGNRSYFE-HUUCEWRRSA-N 1 2 347.390 3.073 10 30 EGEELO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000285004159 455776584 /nfs/dbraw/zinc/77/65/84/455776584.db2.gz YIHYTCZKARVUDO-OKZBNKHCSA-N 1 2 334.847 3.228 10 30 EGEELO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000285004159 455776591 /nfs/dbraw/zinc/77/65/91/455776591.db2.gz YIHYTCZKARVUDO-OKZBNKHCSA-N 1 2 334.847 3.228 10 30 EGEELO CCCC[C@@H](ON=C(C)C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000272781561 456067833 /nfs/dbraw/zinc/06/78/33/456067833.db2.gz VDVQOYYGAOTITF-MRXNPFEDSA-N 1 2 330.432 3.230 10 30 EGEELO CC1(C#N)CC[NH+](C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000274856949 456265801 /nfs/dbraw/zinc/26/58/01/456265801.db2.gz SMTMTLZGFOBKKR-AWEZNQCLSA-N 1 2 341.224 3.247 10 30 EGEELO Cc1sc(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(C#N)c1C ZINC000298297728 456417937 /nfs/dbraw/zinc/41/79/37/456417937.db2.gz PJWFGFJCQFWVJM-DOMZBBRYSA-N 1 2 339.411 3.152 10 30 EGEELO Cc1sc(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(C#N)c1C ZINC000298297728 456417938 /nfs/dbraw/zinc/41/79/38/456417938.db2.gz PJWFGFJCQFWVJM-DOMZBBRYSA-N 1 2 339.411 3.152 10 30 EGEELO C[C@@H](C#N)C[N@H+](Cc1cc2c(c(Br)c1)OCO2)C1CC1 ZINC000338354587 456783476 /nfs/dbraw/zinc/78/34/76/456783476.db2.gz SCILLEXWBVDPCR-JTQLQIEISA-N 1 2 337.217 3.302 10 30 EGEELO C[C@@H](C#N)C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)C1CC1 ZINC000338354587 456783478 /nfs/dbraw/zinc/78/34/78/456783478.db2.gz SCILLEXWBVDPCR-JTQLQIEISA-N 1 2 337.217 3.302 10 30 EGEELO C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329523962 456903944 /nfs/dbraw/zinc/90/39/44/456903944.db2.gz QESTYTRUJUXSRJ-GJZGRUSLSA-N 1 2 334.782 3.019 10 30 EGEELO C[N@H+]1CC[C@H](NC(=O)c2cncnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329523962 456903951 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341.842 3.428 10 30 EGEELO N#CC1(NC(=O)C[N@@H+](CCC(F)(F)F)Cc2ccccc2)CCC1 ZINC000347217254 457293836 /nfs/dbraw/zinc/29/38/36/457293836.db2.gz ZICQBIZVNJPXPK-UHFFFAOYSA-N 1 2 339.361 3.003 10 30 EGEELO N#CC1(NC(=O)C[N@H+](CCC(F)(F)F)Cc2ccccc2)CCC1 ZINC000347217254 457293839 /nfs/dbraw/zinc/29/38/39/457293839.db2.gz ZICQBIZVNJPXPK-UHFFFAOYSA-N 1 2 339.361 3.003 10 30 EGEELO C=CCCc1ccccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000351655738 457307498 /nfs/dbraw/zinc/30/74/98/457307498.db2.gz ACQJLVZGTAWUMP-WMZOPIPTSA-N 1 2 343.471 3.132 10 30 EGEELO CN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)c2cc(Cl)ccc21 ZINC000357180369 457362120 /nfs/dbraw/zinc/36/21/20/457362120.db2.gz CIFZATBQIRQCTD-UHFFFAOYSA-N 1 2 337.814 3.316 10 30 EGEELO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@H](C)O2 ZINC000373972754 457422165 /nfs/dbraw/zinc/42/21/65/457422165.db2.gz AEKMLZRDCAREIK-QWQRMKEZSA-N 1 2 334.847 3.370 10 30 EGEELO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H](C)O2 ZINC000373972754 457422170 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N#CC1(CC[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)CCCCC1 ZINC000411378379 457869789 /nfs/dbraw/zinc/86/97/89/457869789.db2.gz NQQGOXOXDAWPCL-CQSZACIVSA-N 1 2 332.473 3.410 10 30 EGEELO CCCc1[nH+]c2ccccc2n1CCC(=O)NCC(C)(C)CC#N ZINC000457989106 457893924 /nfs/dbraw/zinc/89/39/24/457893924.db2.gz DSAAFQOKXBEGSV-UHFFFAOYSA-N 1 2 326.444 3.435 10 30 EGEELO C[N@H+](CC#Cc1ccc(Cl)cc1)CC(=O)NCc1cccs1 ZINC000426995224 457934069 /nfs/dbraw/zinc/93/40/69/457934069.db2.gz NVFALXCKHCULOL-UHFFFAOYSA-N 1 2 332.856 3.001 10 30 EGEELO C[N@@H+](CC#Cc1ccc(Cl)cc1)CC(=O)NCc1cccs1 ZINC000426995224 457934074 /nfs/dbraw/zinc/93/40/74/457934074.db2.gz NVFALXCKHCULOL-UHFFFAOYSA-N 1 2 332.856 3.001 10 30 EGEELO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000446079442 458143631 /nfs/dbraw/zinc/14/36/31/458143631.db2.gz PDGZRXYXWNGWAY-KSZLIROESA-N 1 2 343.471 3.048 10 30 EGEELO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000446079442 458143635 /nfs/dbraw/zinc/14/36/35/458143635.db2.gz PDGZRXYXWNGWAY-KSZLIROESA-N 1 2 343.471 3.048 10 30 EGEELO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000413810868 458307616 /nfs/dbraw/zinc/30/76/16/458307616.db2.gz AEGIQWKXPDJFMF-SFHVURJKSA-N 1 2 338.455 3.486 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419287401 458380572 /nfs/dbraw/zinc/38/05/72/458380572.db2.gz QBYUJRMSBQBUOX-APWZRJJASA-N 1 2 349.425 3.026 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419287401 458380577 /nfs/dbraw/zinc/38/05/77/458380577.db2.gz QBYUJRMSBQBUOX-APWZRJJASA-N 1 2 349.425 3.026 10 30 EGEELO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419287406 458380794 /nfs/dbraw/zinc/38/07/94/458380794.db2.gz QBYUJRMSBQBUOX-QFBILLFUSA-N 1 2 349.425 3.026 10 30 EGEELO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419287406 458380796 /nfs/dbraw/zinc/38/07/96/458380796.db2.gz QBYUJRMSBQBUOX-QFBILLFUSA-N 1 2 349.425 3.026 10 30 EGEELO CC(C)(CO)[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccs1 ZINC000459534169 458403827 /nfs/dbraw/zinc/40/38/27/458403827.db2.gz PCZDAOQGFUIUJB-INIZCTEOSA-N 1 2 345.424 3.377 10 30 EGEELO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430279551 458434041 /nfs/dbraw/zinc/43/40/41/458434041.db2.gz UJMQPQXPTKWDEZ-MDZRGWNJSA-N 1 2 333.859 3.350 10 30 EGEELO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430279551 458434043 /nfs/dbraw/zinc/43/40/43/458434043.db2.gz UJMQPQXPTKWDEZ-MDZRGWNJSA-N 1 2 333.859 3.350 10 30 EGEELO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000461357541 458556591 /nfs/dbraw/zinc/55/65/91/458556591.db2.gz AWRNTWQTEPDMKT-LJQANCHMSA-N 1 2 348.450 3.098 10 30 EGEELO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000461357541 458556596 /nfs/dbraw/zinc/55/65/96/458556596.db2.gz AWRNTWQTEPDMKT-LJQANCHMSA-N 1 2 348.450 3.098 10 30 EGEELO Cc1cc(C#N)cc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000456004333 458626978 /nfs/dbraw/zinc/62/69/78/458626978.db2.gz OKTAGRJVIIVBIL-UHFFFAOYSA-N 1 2 335.411 3.052 10 30 EGEELO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000505229127 458741828 /nfs/dbraw/zinc/74/18/28/458741828.db2.gz FJUPRSLHBZBGLB-KSSFIOAISA-N 1 2 333.863 3.485 10 30 EGEELO C=CC[N@@H+](CCc1ccccc1)Cc1c(Br)cnn1C ZINC000494972335 458777045 /nfs/dbraw/zinc/77/70/45/458777045.db2.gz JGXAMPRIHQGRQM-UHFFFAOYSA-N 1 2 334.261 3.413 10 30 EGEELO C=CC[N@H+](CCc1ccccc1)Cc1c(Br)cnn1C ZINC000494972335 458777049 /nfs/dbraw/zinc/77/70/49/458777049.db2.gz JGXAMPRIHQGRQM-UHFFFAOYSA-N 1 2 334.261 3.413 10 30 EGEELO CC1(C)C[NH+](CC(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)C1 ZINC000578080996 459143039 /nfs/dbraw/zinc/14/30/39/459143039.db2.gz IMQPIIOZPLFNRS-GFCCVEGCSA-N 1 2 326.227 3.016 10 30 EGEELO COC(=O)c1ccc(OCC[N@H+](C[C@@H](C)C#N)C2CC2)c(Cl)c1 ZINC000532818703 459149375 /nfs/dbraw/zinc/14/93/75/459149375.db2.gz UNAVIHMPHHDHGK-LBPRGKRZSA-N 1 2 336.819 3.129 10 30 EGEELO COC(=O)c1ccc(OCC[N@@H+](C[C@@H](C)C#N)C2CC2)c(Cl)c1 ZINC000532818703 459149379 /nfs/dbraw/zinc/14/93/79/459149379.db2.gz UNAVIHMPHHDHGK-LBPRGKRZSA-N 1 2 336.819 3.129 10 30 EGEELO N#CC1(c2ccc(C[NH2+][C@H](CO)c3c(F)cccc3F)cc2)CC1 ZINC000594925831 459178520 /nfs/dbraw/zinc/17/85/20/459178520.db2.gz QCMKQFNXKTYLFC-QGZVFWFLSA-N 1 2 328.362 3.343 10 30 EGEELO C=CCOc1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1 ZINC000535798623 459357171 /nfs/dbraw/zinc/35/71/71/459357171.db2.gz RXVLRIKOBVSULM-AWEZNQCLSA-N 1 2 328.378 3.320 10 30 EGEELO C=CCOc1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1 ZINC000535798623 459357176 /nfs/dbraw/zinc/35/71/76/459357176.db2.gz RXVLRIKOBVSULM-AWEZNQCLSA-N 1 2 328.378 3.320 10 30 EGEELO N#CCSCCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000595714392 459409378 /nfs/dbraw/zinc/40/93/78/459409378.db2.gz UMXFXKSRQTXTPZ-LLVKDONJSA-N 1 2 330.379 3.279 10 30 EGEELO N#CCSCCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000595714392 459409384 /nfs/dbraw/zinc/40/93/84/459409384.db2.gz UMXFXKSRQTXTPZ-LLVKDONJSA-N 1 2 330.379 3.279 10 30 EGEELO CN(C(=O)C[N@@H+]1CC[C@](C)(C#N)C1)C(c1ccccc1)c1ccccc1 ZINC000595834724 459458740 /nfs/dbraw/zinc/45/87/40/459458740.db2.gz LFRDOKJSTBEWLU-JOCHJYFZSA-N 1 2 347.462 3.470 10 30 EGEELO CN(C(=O)C[N@H+]1CC[C@](C)(C#N)C1)C(c1ccccc1)c1ccccc1 ZINC000595834724 459458744 /nfs/dbraw/zinc/45/87/44/459458744.db2.gz LFRDOKJSTBEWLU-JOCHJYFZSA-N 1 2 347.462 3.470 10 30 EGEELO C[C@@]1(C#N)CCN(Cc2cc(C[N@@H+]3CC[C@](C)(C#N)C3)ccc2F)C1 ZINC000595840847 459460730 /nfs/dbraw/zinc/46/07/30/459460730.db2.gz GLUUZWQYSXDXKD-UXHICEINSA-N 1 2 340.446 3.297 10 30 EGEELO C[C@@]1(C#N)CCN(Cc2cc(C[N@H+]3CC[C@](C)(C#N)C3)ccc2F)C1 ZINC000595840847 459460734 /nfs/dbraw/zinc/46/07/34/459460734.db2.gz GLUUZWQYSXDXKD-UXHICEINSA-N 1 2 340.446 3.297 10 30 EGEELO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841023 459461256 /nfs/dbraw/zinc/46/12/56/459461256.db2.gz UFCBIAKVKJXIBG-GCKMJXCFSA-N 1 2 339.483 3.367 10 30 EGEELO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841023 459461264 /nfs/dbraw/zinc/46/12/64/459461264.db2.gz UFCBIAKVKJXIBG-GCKMJXCFSA-N 1 2 339.483 3.367 10 30 EGEELO C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1[nH+]ccn1C ZINC000595845695 459463880 /nfs/dbraw/zinc/46/38/80/459463880.db2.gz UFMCQNDMVYEJQH-ZBFHGGJFSA-N 1 2 325.416 3.215 10 30 EGEELO COc1ccc2ncc(C#N)c(N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000591907520 459480082 /nfs/dbraw/zinc/48/00/82/459480082.db2.gz FANTYHSNXRFRBN-OAHLLOKOSA-N 1 2 333.395 3.153 10 30 EGEELO N#CCSCCC[N@@H+]1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000592205788 459548919 /nfs/dbraw/zinc/54/89/19/459548919.db2.gz OXMNRPORWLUWCE-CQSZACIVSA-N 1 2 328.840 3.499 10 30 EGEELO N#CCSCCC[N@H+]1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000592205788 459548923 /nfs/dbraw/zinc/54/89/23/459548923.db2.gz OXMNRPORWLUWCE-CQSZACIVSA-N 1 2 328.840 3.499 10 30 EGEELO N#Cc1cc2cccnc2nc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000596191392 459556502 /nfs/dbraw/zinc/55/65/02/459556502.db2.gz 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C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccncc3)cc2F)C1=O ZINC000374181804 457510742 /nfs/dbraw/zinc/51/07/42/457510742.db2.gz DZLKIJPAGOJHEJ-IBGZPJMESA-N 1 2 339.414 3.106 10 30 EGEELO CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425440370 457554123 /nfs/dbraw/zinc/55/41/23/457554123.db2.gz BPQCLQMPUHBAEB-HNNXBMFYSA-N 1 2 339.443 3.313 10 30 EGEELO Cn1ccc([C@@H]([NH2+]Cc2ccc(C#N)s2)c2ccc(F)cc2)n1 ZINC000374512400 457645437 /nfs/dbraw/zinc/64/54/37/457645437.db2.gz CBQQRTFHOQNFAU-KRWDZBQOSA-N 1 2 326.400 3.372 10 30 EGEELO O[C@H]([C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000444727451 457956212 /nfs/dbraw/zinc/95/62/12/457956212.db2.gz FCFPRRODFDKSFA-UKRRQHHQSA-N 1 2 331.765 3.327 10 30 EGEELO N#C[C@@H]1C[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C[C@H]1c1ccccc1 ZINC000368351644 458030275 /nfs/dbraw/zinc/03/02/75/458030275.db2.gz JCPWMSOSWMLGMW-AEFFLSMTSA-N 1 2 344.418 3.117 10 30 EGEELO N#C[C@@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C[C@H]1c1ccccc1 ZINC000368351644 458030278 /nfs/dbraw/zinc/03/02/78/458030278.db2.gz JCPWMSOSWMLGMW-AEFFLSMTSA-N 1 2 344.418 3.117 10 30 EGEELO N#Cc1cccc([C@@H]2C[N@H+](CCOc3ccc(F)cc3)CCO2)c1 ZINC000376212868 458236864 /nfs/dbraw/zinc/23/68/64/458236864.db2.gz WDZYVPXRTBAUNV-IBGZPJMESA-N 1 2 326.371 3.150 10 30 EGEELO N#Cc1cccc([C@@H]2C[N@@H+](CCOc3ccc(F)cc3)CCO2)c1 ZINC000376212868 458236870 /nfs/dbraw/zinc/23/68/70/458236870.db2.gz WDZYVPXRTBAUNV-IBGZPJMESA-N 1 2 326.371 3.150 10 30 EGEELO COc1ccccc1C(C)(C)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459368619 458347285 /nfs/dbraw/zinc/34/72/85/458347285.db2.gz NKSVGQIXWVFKOM-UHFFFAOYSA-N 1 2 325.368 3.500 10 30 EGEELO N#Cc1ccccc1N1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000448223258 458398864 /nfs/dbraw/zinc/39/88/64/458398864.db2.gz NFJZHKBAKRYDNH-UHFFFAOYSA-N 1 2 343.434 3.066 10 30 EGEELO C=CC[N@H+](Cc1cnnn1Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000430243669 458427278 /nfs/dbraw/zinc/42/72/78/458427278.db2.gz LVEDDXDUJFAXAD-UHFFFAOYSA-N 1 2 343.434 3.386 10 30 EGEELO C=CC[N@@H+](Cc1cnnn1Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000430243669 458427282 /nfs/dbraw/zinc/42/72/82/458427282.db2.gz LVEDDXDUJFAXAD-UHFFFAOYSA-N 1 2 343.434 3.386 10 30 EGEELO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000512798869 458788295 /nfs/dbraw/zinc/78/82/95/458788295.db2.gz XNSVJLCHEITEGX-CQSZACIVSA-N 1 2 348.878 3.278 10 30 EGEELO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548865791 458875357 /nfs/dbraw/zinc/87/53/57/458875357.db2.gz PTQPGOOVGDHUGH-CQSZACIVSA-N 1 2 339.443 3.380 10 30 EGEELO Cc1cc[nH+]c(N2CCN(CC#Cc3ccccc3Cl)CC2)c1 ZINC000441163976 458894895 /nfs/dbraw/zinc/89/48/95/458894895.db2.gz JFNGLWXPVDCVJP-UHFFFAOYSA-N 1 2 325.843 3.217 10 30 EGEELO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000441452082 458946190 /nfs/dbraw/zinc/94/61/90/458946190.db2.gz VOLXSXWIQQGUDY-QUCCMNQESA-N 1 2 344.499 3.490 10 30 EGEELO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000441452082 458946194 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C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000590025113 459067384 /nfs/dbraw/zinc/06/73/84/459067384.db2.gz AMPXMYRZFNXSQL-ZDUSSCGKSA-N 1 2 344.821 3.456 10 30 EGEELO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000590025113 459067390 /nfs/dbraw/zinc/06/73/90/459067390.db2.gz AMPXMYRZFNXSQL-ZDUSSCGKSA-N 1 2 344.821 3.456 10 30 EGEELO N#CCc1cc[nH+]c(NCc2cccc(I)c2)c1 ZINC000559987819 459289712 /nfs/dbraw/zinc/28/97/12/459289712.db2.gz SLZXYHUFHYCWPZ-UHFFFAOYSA-N 1 2 349.175 3.364 10 30 EGEELO CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000595558524 459345796 /nfs/dbraw/zinc/34/57/96/459345796.db2.gz ADJMDOIYGXPSPO-HNNXBMFYSA-N 1 2 325.456 3.159 10 30 EGEELO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595816437 459450767 /nfs/dbraw/zinc/45/07/67/459450767.db2.gz XCIBSEBNWBIIQS-CQSZACIVSA-N 1 2 338.411 3.142 10 30 EGEELO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595816437 459450772 /nfs/dbraw/zinc/45/07/72/459450772.db2.gz 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ZINC000592072731 459521090 /nfs/dbraw/zinc/52/10/90/459521090.db2.gz FVGHVFQAGXVBFK-IBGZPJMESA-N 1 2 349.438 3.129 10 30 EGEELO N#Cc1cnccc1C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000592072731 459521093 /nfs/dbraw/zinc/52/10/93/459521093.db2.gz FVGHVFQAGXVBFK-IBGZPJMESA-N 1 2 349.438 3.129 10 30 EGEELO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)cc1 ZINC000592189298 459545642 /nfs/dbraw/zinc/54/56/42/459545642.db2.gz ZTTHPDRYJYHDSN-UXHICEINSA-N 1 2 343.430 3.478 10 30 EGEELO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)cc1 ZINC000592189298 459545646 /nfs/dbraw/zinc/54/56/46/459545646.db2.gz ZTTHPDRYJYHDSN-UXHICEINSA-N 1 2 343.430 3.478 10 30 EGEELO N#CCSCCC[N@@H+]1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000592205782 459549500 /nfs/dbraw/zinc/54/95/00/459549500.db2.gz OXMNRPORWLUWCE-AWEZNQCLSA-N 1 2 328.840 3.499 10 30 EGEELO N#CCSCCC[N@H+]1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000592205782 459549505 /nfs/dbraw/zinc/54/95/05/459549505.db2.gz OXMNRPORWLUWCE-AWEZNQCLSA-N 1 2 328.840 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ZINC000609135127 459908589 /nfs/dbraw/zinc/90/85/89/459908589.db2.gz FBKKVHHWVGJSCT-HNNXBMFYSA-N 1 2 340.431 3.180 10 30 EGEELO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)no1 ZINC000589281043 460067197 /nfs/dbraw/zinc/06/71/97/460067197.db2.gz YZSVGNJBMBCLFO-UHFFFAOYSA-N 1 2 341.411 3.287 10 30 EGEELO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000599027777 460132537 /nfs/dbraw/zinc/13/25/37/460132537.db2.gz SJQNIMBVSWBEME-GOSISDBHSA-N 1 2 336.439 3.064 10 30 EGEELO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1C#N ZINC000599366400 460239362 /nfs/dbraw/zinc/23/93/62/460239362.db2.gz PIUNYXMURFRALU-OAQYLSRUSA-N 1 2 348.425 3.388 10 30 EGEELO N#Cc1ccc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)s1 ZINC000599660047 460300743 /nfs/dbraw/zinc/30/07/43/460300743.db2.gz LUUZIOLOBAADOI-UHFFFAOYSA-N 1 2 336.464 3.419 10 30 EGEELO N#Cc1ccc(C[NH+]2CCN(Cc3cc4ccccc4[nH]3)CC2)s1 ZINC000599660047 460300749 /nfs/dbraw/zinc/30/07/49/460300749.db2.gz LUUZIOLOBAADOI-UHFFFAOYSA-N 1 2 336.464 3.419 10 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C=C(Br)C[N@@H+](C)CCCN(C)C(=O)/C=C/C(C)(C)C ZINC001327190355 1388433384 /nfs/dbraw/zinc/43/33/84/1388433384.db2.gz XANXZIOFGOXCQN-CMDGGOBGSA-N 1 2 331.298 3.278 10 30 EGEELO C=C(Br)C[N@H+](C)CCCN(C)C(=O)/C=C/C(C)(C)C ZINC001327190355 1388433389 /nfs/dbraw/zinc/43/33/89/1388433389.db2.gz XANXZIOFGOXCQN-CMDGGOBGSA-N 1 2 331.298 3.278 10 30 EGEELO C=CC(C)(C)CCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001233603453 1376680789 /nfs/dbraw/zinc/68/07/89/1376680789.db2.gz DSTIWCRGCNMFTO-UHFFFAOYSA-N 1 2 345.487 3.125 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001266221519 1377232509 /nfs/dbraw/zinc/23/25/09/1377232509.db2.gz CDDLFUVQNUPJQQ-GOSISDBHSA-N 1 2 331.435 3.070 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001266221519 1377232513 /nfs/dbraw/zinc/23/25/13/1377232513.db2.gz CDDLFUVQNUPJQQ-GOSISDBHSA-N 1 2 331.435 3.070 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)cs2)C1 ZINC001266222123 1377233380 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/nfs/dbraw/zinc/77/20/52/1406772052.db2.gz ALTWCFZGSPPNIL-UHFFFAOYSA-N 1 2 329.419 3.088 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)sc2C)C1 ZINC001485521324 1395995837 /nfs/dbraw/zinc/99/58/37/1395995837.db2.gz BYVPAELIIZMFMH-SGTLLEGYSA-N 1 2 335.517 3.299 10 30 EGEELO C#CCCCCCC(=O)N1CC2(C1)CCC[N@H+](Cc1cscn1)C2 ZINC001485661773 1396092207 /nfs/dbraw/zinc/09/22/07/1396092207.db2.gz KWVNHTFYWKSVBH-UHFFFAOYSA-N 1 2 345.512 3.151 10 30 EGEELO C#CCCCCCC(=O)N1CC2(C1)CCC[N@@H+](Cc1cscn1)C2 ZINC001485661773 1396092210 /nfs/dbraw/zinc/09/22/10/1396092210.db2.gz KWVNHTFYWKSVBH-UHFFFAOYSA-N 1 2 345.512 3.151 10 30 EGEELO C=CCCC(=O)NCC[N@@H+](C)Cc1nc(-c2cccs2)oc1C ZINC001492213252 1396315124 /nfs/dbraw/zinc/31/51/24/1396315124.db2.gz JZAXBUAELWXHIG-UHFFFAOYSA-N 1 2 333.457 3.226 10 30 EGEELO C=CCCC(=O)NCC[N@H+](C)Cc1nc(-c2cccs2)oc1C ZINC001492213252 1396315125 /nfs/dbraw/zinc/31/51/25/1396315125.db2.gz JZAXBUAELWXHIG-UHFFFAOYSA-N 1 2 333.457 3.226 10 30 EGEELO C=C[C@@H](CC)CC(=O)NCC1C[NH+](Cc2nc3ccc(F)cc3o2)C1 ZINC001494583375 1396476179 /nfs/dbraw/zinc/47/61/79/1396476179.db2.gz HPHGAHZWLQHXBQ-ZDUSSCGKSA-N 1 2 345.418 3.117 10 30 EGEELO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ncc(CC)o3)C2)CCCC1 ZINC001494878226 1396506761 /nfs/dbraw/zinc/50/67/61/1396506761.db2.gz XIWOGVZGDSXQDA-MRXNPFEDSA-N 1 2 345.487 3.406 10 30 EGEELO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ncc(CC)o3)C2)CCCC1 ZINC001494878226 1396506765 /nfs/dbraw/zinc/50/67/65/1396506765.db2.gz XIWOGVZGDSXQDA-MRXNPFEDSA-N 1 2 345.487 3.406 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C2CCCC2)no1 ZINC001496149375 1396612386 /nfs/dbraw/zinc/61/23/86/1396612386.db2.gz DJBOYTDOQJQNLT-KUHUBIRLSA-N 1 2 348.491 3.266 10 30 EGEELO C[C@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)C(F)C(F)(F)F ZINC001498288673 1396957831 /nfs/dbraw/zinc/95/78/31/1396957831.db2.gz NBJANZPKQCMKIJ-RKDXNWHRSA-N 1 2 340.283 3.056 10 30 EGEELO C[C@H](C[N@@H+](C)CCCCC(F)(F)F)NC(=O)C(F)C(F)(F)F ZINC001498288673 1396957835 /nfs/dbraw/zinc/95/78/35/1396957835.db2.gz NBJANZPKQCMKIJ-RKDXNWHRSA-N 1 2 340.283 3.056 10 30 EGEELO C[C@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)[C@@H](F)C(F)(F)F ZINC001498288673 1396957839 /nfs/dbraw/zinc/95/78/39/1396957839.db2.gz NBJANZPKQCMKIJ-RKDXNWHRSA-N 1 2 340.283 3.056 10 30 EGEELO C[C@H](C[N@@H+](C)CCCCC(F)(F)F)NC(=O)[C@@H](F)C(F)(F)F ZINC001498288673 1396957840 /nfs/dbraw/zinc/95/78/40/1396957840.db2.gz NBJANZPKQCMKIJ-RKDXNWHRSA-N 1 2 340.283 3.056 10 30 EGEELO CCCN(C(=O)C#CC(C)C)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC001690134203 1404330409 /nfs/dbraw/zinc/33/04/09/1404330409.db2.gz JRFGCQADBCJZFO-UHFFFAOYSA-N 1 2 347.528 3.314 10 30 EGEELO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](OCC)C(=C)C ZINC001690448824 1404572732 /nfs/dbraw/zinc/57/27/32/1404572732.db2.gz RKGMPFHZLJABDN-CVEARBPZSA-N 1 2 328.884 3.081 10 30 EGEELO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](OCC)C(=C)C ZINC001690448824 1404572733 /nfs/dbraw/zinc/57/27/33/1404572733.db2.gz RKGMPFHZLJABDN-CVEARBPZSA-N 1 2 328.884 3.081 10 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ZINC001691054909 1404973502 /nfs/dbraw/zinc/97/35/02/1404973502.db2.gz DMSWOJGLDKCSQM-FXAWDEMLSA-N 1 2 342.458 3.312 10 30 EGEELO C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001691054909 1404973507 /nfs/dbraw/zinc/97/35/07/1404973507.db2.gz DMSWOJGLDKCSQM-FXAWDEMLSA-N 1 2 342.458 3.312 10 30 EGEELO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)c1nc(C(C)C)no1 ZINC001691081857 1405016572 /nfs/dbraw/zinc/01/65/72/1405016572.db2.gz BBPZPAQSOCQTOW-HUUCEWRRSA-N 1 2 334.464 3.191 10 30 EGEELO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)c1nc(C(C)C)no1 ZINC001691081857 1405016576 /nfs/dbraw/zinc/01/65/76/1405016576.db2.gz BBPZPAQSOCQTOW-HUUCEWRRSA-N 1 2 334.464 3.191 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@H+]1Cc1csc(CC)n1 ZINC001691097725 1405034484 /nfs/dbraw/zinc/03/44/84/1405034484.db2.gz REORGNMJXYCWTN-QAPCUYQASA-N 1 2 335.517 3.388 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(CC)n1 ZINC001691097725 1405034488 /nfs/dbraw/zinc/03/44/88/1405034488.db2.gz REORGNMJXYCWTN-QAPCUYQASA-N 1 2 335.517 3.388 10 30 EGEELO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1(CCOCC)CCCC1 ZINC001691103280 1405042478 /nfs/dbraw/zinc/04/24/78/1405042478.db2.gz WZRCTVHDSUIVEM-MRXNPFEDSA-N 1 2 342.911 3.307 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(CCOCC)CCCC1 ZINC001691103280 1405042482 /nfs/dbraw/zinc/04/24/82/1405042482.db2.gz WZRCTVHDSUIVEM-MRXNPFEDSA-N 1 2 342.911 3.307 10 30 EGEELO C=CC(C)(C)CC(=O)N(CC[N@H+](C)Cc1cc2n(n1)CCC2)C(C)C ZINC001725728742 1426395358 /nfs/dbraw/zinc/39/53/58/1426395358.db2.gz SVYHXMZVOQVCBH-UHFFFAOYSA-N 1 2 346.519 3.100 10 30 EGEELO C=CC(C)(C)CC(=O)N(CC[N@@H+](C)Cc1cc2n(n1)CCC2)C(C)C ZINC001725728742 1426395361 /nfs/dbraw/zinc/39/53/61/1426395361.db2.gz SVYHXMZVOQVCBH-UHFFFAOYSA-N 1 2 346.519 3.100 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001691392410 1405230092 /nfs/dbraw/zinc/23/00/92/1405230092.db2.gz PXALAOUFIIKIJF-LJQANCHMSA-N 1 2 342.458 3.312 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001691392410 1405230095 /nfs/dbraw/zinc/23/00/95/1405230095.db2.gz PXALAOUFIIKIJF-LJQANCHMSA-N 1 2 342.458 3.312 10 30 EGEELO CC#CCCCC(=O)NC1C[NH+](Cc2cc3ccccc3s2)C1 ZINC001692222586 1405853944 /nfs/dbraw/zinc/85/39/44/1405853944.db2.gz GEYWAKITWBBVAL-UHFFFAOYSA-N 1 2 326.465 3.395 10 30 EGEELO C=CCC(C)(C)C(=O)NC1C[NH+](CCCOc2ccccc2C)C1 ZINC001692239559 1405865098 /nfs/dbraw/zinc/86/50/98/1405865098.db2.gz WEKVPBBBLLLCIE-UHFFFAOYSA-N 1 2 330.472 3.167 10 30 EGEELO C=C(C)CCC(=O)N1CCCC[C@H]1C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC001692252603 1405878290 /nfs/dbraw/zinc/87/82/90/1405878290.db2.gz MSEXURZTEUFBFS-ZBFHGGJFSA-N 1 2 334.464 3.108 10 30 EGEELO C=C(C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC001692252603 1405878297 /nfs/dbraw/zinc/87/82/97/1405878297.db2.gz MSEXURZTEUFBFS-ZBFHGGJFSA-N 1 2 334.464 3.108 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](CC(=C)Br)[C@@H]1C ZINC001692386182 1405991052 /nfs/dbraw/zinc/99/10/52/1405991052.db2.gz RFLHWYCYDBYOOT-MCIONIFRSA-N 1 2 329.282 3.076 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=C)Br)[C@@H]1C ZINC001692386182 1405991053 /nfs/dbraw/zinc/99/10/53/1405991053.db2.gz RFLHWYCYDBYOOT-MCIONIFRSA-N 1 2 329.282 3.076 10 30 EGEELO CC1(CC(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CCCC1 ZINC001732125797 1428374688 /nfs/dbraw/zinc/37/46/88/1428374688.db2.gz MSRFSJVXCQNQGA-UHFFFAOYSA-N 1 2 343.446 3.216 10 30 EGEELO CCCCC1(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC001732134409 1428380431 /nfs/dbraw/zinc/38/04/31/1428380431.db2.gz QKVBTLHYNRRKEI-UHFFFAOYSA-N 1 2 342.458 3.196 10 30 EGEELO CC(C)C#CC(=O)N(C)[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001732161209 1428404271 /nfs/dbraw/zinc/40/42/71/1428404271.db2.gz XLKJURNWTHQPQA-AWEZNQCLSA-N 1 2 336.838 3.171 10 30 EGEELO CC(C)C#CC(=O)N(C)[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001732161209 1428404275 /nfs/dbraw/zinc/40/42/75/1428404275.db2.gz XLKJURNWTHQPQA-AWEZNQCLSA-N 1 2 336.838 3.171 10 30 EGEELO C=CCCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001732180252 1428427276 /nfs/dbraw/zinc/42/72/76/1428427276.db2.gz ORIMQLLSPOMELG-KGLIPLIRSA-N 1 2 349.302 3.209 10 30 EGEELO C=CCCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001732180252 1428427278 /nfs/dbraw/zinc/42/72/78/1428427278.db2.gz ORIMQLLSPOMELG-KGLIPLIRSA-N 1 2 349.302 3.209 10 30 EGEELO C=CCCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC001732181440 1428428967 /nfs/dbraw/zinc/42/89/67/1428428967.db2.gz ZNNISWKDBVJMPL-MRXNPFEDSA-N 1 2 333.476 3.361 10 30 EGEELO C=CCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC001732181440 1428428971 /nfs/dbraw/zinc/42/89/71/1428428971.db2.gz ZNNISWKDBVJMPL-MRXNPFEDSA-N 1 2 333.476 3.361 10 30 EGEELO C#CCCCCCC(=O)N1CCC2(C[NH+](Cc3nccs3)C2)CC1 ZINC001732402965 1428567665 /nfs/dbraw/zinc/56/76/65/1428567665.db2.gz LXQNWRSMWJKIHQ-UHFFFAOYSA-N 1 2 345.512 3.151 10 30 EGEELO C=CCCC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001699447147 1412782338 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333.476 3.129 10 30 EGEELO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)[C@@H]1C ZINC001707250486 1417266547 /nfs/dbraw/zinc/26/65/47/1417266547.db2.gz XZXOKMRKTQOMSG-RWSFTLGLSA-N 1 2 340.254 3.232 10 30 EGEELO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)[C@@H]1C ZINC001707250486 1417266551 /nfs/dbraw/zinc/26/65/51/1417266551.db2.gz XZXOKMRKTQOMSG-RWSFTLGLSA-N 1 2 340.254 3.232 10 30 EGEELO C=CCCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1noc(C(C)C)n1 ZINC001707444545 1417348804 /nfs/dbraw/zinc/34/88/04/1417348804.db2.gz VLGUDJPRDOUFDA-GJZGRUSLSA-N 1 2 334.464 3.018 10 30 EGEELO C=C[C@H](CC)CC(=O)N(CCC)C1CC[NH+](Cc2ccon2)CC1 ZINC001713101115 1417653879 /nfs/dbraw/zinc/65/38/79/1417653879.db2.gz OAEBHXRNHOOBQX-MRXNPFEDSA-N 1 2 333.476 3.480 10 30 EGEELO CC[C@@H]1CCC[C@@H]1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001713465791 1418128278 /nfs/dbraw/zinc/12/82/78/1418128278.db2.gz HIQHLSACVOHEGH-WBVHZDCISA-N 1 2 331.435 3.072 10 30 EGEELO CC[C@@H]1CCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001713465791 1418128282 /nfs/dbraw/zinc/12/82/82/1418128282.db2.gz HIQHLSACVOHEGH-WBVHZDCISA-N 1 2 331.435 3.072 10 30 EGEELO C=C[C@@H](C(=O)NCC[N@@H+](CC)Cc1nc(C)cs1)c1ccccc1 ZINC001713497177 1418208002 /nfs/dbraw/zinc/20/80/02/1418208002.db2.gz FRSVJUIHPGVJPY-QGZVFWFLSA-N 1 2 343.496 3.359 10 30 EGEELO C=C[C@@H](C(=O)NCC[N@H+](CC)Cc1nc(C)cs1)c1ccccc1 ZINC001713497177 1418208004 /nfs/dbraw/zinc/20/80/04/1418208004.db2.gz FRSVJUIHPGVJPY-QGZVFWFLSA-N 1 2 343.496 3.359 10 30 EGEELO C#CCCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC001713504099 1418223481 /nfs/dbraw/zinc/22/34/81/1418223481.db2.gz CZLQFIGAPWXBPE-KRWDZBQOSA-N 1 2 345.487 3.246 10 30 EGEELO C#CCCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC001713504099 1418223483 /nfs/dbraw/zinc/22/34/83/1418223483.db2.gz CZLQFIGAPWXBPE-KRWDZBQOSA-N 1 2 345.487 3.246 10 30 EGEELO CCCN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001713716227 1418482312 /nfs/dbraw/zinc/48/23/12/1418482312.db2.gz LBORVOSZETUNBY-SFHVURJKSA-N 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/nfs/dbraw/zinc/09/78/30/1419097830.db2.gz DDPNAOZVOSAUTD-AWEZNQCLSA-N 1 2 332.341 3.259 10 30 EGEELO C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@H](F)C(F)(F)F)cc1 ZINC001714319401 1419097832 /nfs/dbraw/zinc/09/78/32/1419097832.db2.gz DDPNAOZVOSAUTD-AWEZNQCLSA-N 1 2 332.341 3.259 10 30 EGEELO C=CCCC[NH2+]Cc1ccc(CNC(=O)C(F)C(F)(F)F)cc1 ZINC001714319402 1419097872 /nfs/dbraw/zinc/09/78/72/1419097872.db2.gz DDPNAOZVOSAUTD-CQSZACIVSA-N 1 2 332.341 3.259 10 30 EGEELO C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC001714319402 1419097877 /nfs/dbraw/zinc/09/78/77/1419097877.db2.gz DDPNAOZVOSAUTD-CQSZACIVSA-N 1 2 332.341 3.259 10 30 EGEELO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](CC2CCCCC2)C(C)C)C1 ZINC001714478068 1419201677 /nfs/dbraw/zinc/20/16/77/1419201677.db2.gz CPKZPKYYUCLERU-RTBURBONSA-N 1 2 336.520 3.232 10 30 EGEELO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](CC2CCCCC2)C(C)C)C1 ZINC001714478068 1419201678 /nfs/dbraw/zinc/20/16/78/1419201678.db2.gz CPKZPKYYUCLERU-RTBURBONSA-N 1 2 336.520 3.232 10 30 EGEELO C=C[C@H](CC(=O)NC[C@@H]1C[N@H+](CC=C(C)C)CCO1)c1ccccc1 ZINC001714483749 1419206734 /nfs/dbraw/zinc/20/67/34/1419206734.db2.gz SDDXWXDIJMJDJZ-UYAOXDASSA-N 1 2 342.483 3.130 10 30 EGEELO C=C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)CCO1)c1ccccc1 ZINC001714483749 1419206738 /nfs/dbraw/zinc/20/67/38/1419206738.db2.gz SDDXWXDIJMJDJZ-UYAOXDASSA-N 1 2 342.483 3.130 10 30 EGEELO CC/C=C(\C)C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001733208450 1429317550 /nfs/dbraw/zinc/31/75/50/1429317550.db2.gz WMEOMWSISUJYLF-IQXODGKNSA-N 1 2 330.859 3.238 10 30 EGEELO CC/C=C(\C)C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001733208450 1429317557 /nfs/dbraw/zinc/31/75/57/1429317557.db2.gz WMEOMWSISUJYLF-IQXODGKNSA-N 1 2 330.859 3.238 10 30 EGEELO C=CCC1(C(=O)NCCC[C@@H]2CCC[N@@H+]2Cc2csnn2)CCC1 ZINC001714527539 1419254456 /nfs/dbraw/zinc/25/44/56/1419254456.db2.gz PAJOUMIEYWJFPN-MRXNPFEDSA-N 1 2 348.516 3.145 10 30 EGEELO C=CCC1(C(=O)NCCC[C@@H]2CCC[N@H+]2Cc2csnn2)CCC1 ZINC001714527539 1419254458 /nfs/dbraw/zinc/25/44/58/1419254458.db2.gz PAJOUMIEYWJFPN-MRXNPFEDSA-N 1 2 348.516 3.145 10 30 EGEELO C#CCCCC(=O)NCC[N@@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC001714535296 1419261612 /nfs/dbraw/zinc/26/16/12/1419261612.db2.gz JKWIZQCLDAUXTK-INIZCTEOSA-N 1 2 339.439 3.254 10 30 EGEELO C#CCCCC(=O)NCC[N@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC001714535296 1419261614 /nfs/dbraw/zinc/26/16/14/1419261614.db2.gz JKWIZQCLDAUXTK-INIZCTEOSA-N 1 2 339.439 3.254 10 30 EGEELO C[C@H]1CCC[C@H]1CC(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001714542174 1419267305 /nfs/dbraw/zinc/26/73/05/1419267305.db2.gz ACQBEDLURFDZGZ-HOCLYGCPSA-N 1 2 331.435 3.072 10 30 EGEELO C[C@H]1CCC[C@H]1CC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001714542174 1419267307 /nfs/dbraw/zinc/26/73/07/1419267307.db2.gz ACQBEDLURFDZGZ-HOCLYGCPSA-N 1 2 331.435 3.072 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC001714639163 1419410890 /nfs/dbraw/zinc/41/08/90/1419410890.db2.gz VRLGOJNPMBJUIM-UONOGXRCSA-N 1 2 336.480 3.293 10 30 EGEELO CCC(CC)[C@H](C)C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001733217808 1429334602 /nfs/dbraw/zinc/33/46/02/1429334602.db2.gz WJNVNLFBPYCFCN-FXAWDEMLSA-N 1 2 326.484 3.301 10 30 EGEELO CCC(CC)[C@H](C)C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001733217808 1429334609 /nfs/dbraw/zinc/33/46/09/1429334609.db2.gz WJNVNLFBPYCFCN-FXAWDEMLSA-N 1 2 326.484 3.301 10 30 EGEELO C=CC1(CC(=O)N(C)CC[NH2+]Cc2nc(C(C)C)no2)CCCCC1 ZINC001714768687 1419500169 /nfs/dbraw/zinc/50/01/69/1419500169.db2.gz REOPYDPGVXBMKW-UHFFFAOYSA-N 1 2 348.491 3.268 10 30 EGEELO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001714851225 1419563284 /nfs/dbraw/zinc/56/32/84/1419563284.db2.gz OHHYQWPIFFVUDJ-CALCHBBNSA-N 1 2 343.427 3.126 10 30 EGEELO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001714851225 1419563287 /nfs/dbraw/zinc/56/32/87/1419563287.db2.gz OHHYQWPIFFVUDJ-CALCHBBNSA-N 1 2 343.427 3.126 10 30 EGEELO C=CCCO[C@H](C)C(=O)NC1C[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001714939198 1419686012 /nfs/dbraw/zinc/68/60/12/1419686012.db2.gz PWWKDPLNCIFYBW-MRXNPFEDSA-N 1 2 330.472 3.092 10 30 EGEELO CC1(C)CC(CC(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001714971624 1419706916 /nfs/dbraw/zinc/70/69/16/1419706916.db2.gz UNHCZLWIPHYPCK-UHFFFAOYSA-N 1 2 342.458 3.052 10 30 EGEELO CCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001715039482 1419777745 /nfs/dbraw/zinc/77/77/45/1419777745.db2.gz TXWQWOFIPOBKRE-MRXNPFEDSA-N 1 2 347.890 3.207 10 30 EGEELO CCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001715039482 1419777747 /nfs/dbraw/zinc/77/77/47/1419777747.db2.gz TXWQWOFIPOBKRE-MRXNPFEDSA-N 1 2 347.890 3.207 10 30 EGEELO C=CCC1(C(=O)N(C)[C@H](C)C[NH2+][C@H](C)c2nc(CC)no2)CCCC1 ZINC001715378347 1420074876 /nfs/dbraw/zinc/07/48/76/1420074876.db2.gz DPHNNTUEAYNECH-HUUCEWRRSA-N 1 2 348.491 3.266 10 30 EGEELO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1C#N)C1CCC1 ZINC001715522221 1420209115 /nfs/dbraw/zinc/20/91/15/1420209115.db2.gz JSNHHFLWEZKAKC-CQSZACIVSA-N 1 2 331.435 3.024 10 30 EGEELO C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1C#N)C1CCC1 ZINC001715522221 1420209117 /nfs/dbraw/zinc/20/91/17/1420209117.db2.gz JSNHHFLWEZKAKC-CQSZACIVSA-N 1 2 331.435 3.024 10 30 EGEELO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCCC12CC2 ZINC001715522598 1420209948 /nfs/dbraw/zinc/20/99/48/1420209948.db2.gz MDTMEGWQJCLVPD-QGZVFWFLSA-N 1 2 343.446 3.168 10 30 EGEELO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCCC12CC2 ZINC001715522598 1420209952 /nfs/dbraw/zinc/20/99/52/1420209952.db2.gz MDTMEGWQJCLVPD-QGZVFWFLSA-N 1 2 343.446 3.168 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[N@H+](C)Cc1nc2ccccc2n1C ZINC001716039352 1420500430 /nfs/dbraw/zinc/50/04/30/1420500430.db2.gz IKPJUEGVYVSYGX-QRWLVFNGSA-N 1 2 342.487 3.112 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)Cc1nc2ccccc2n1C ZINC001716039352 1420500432 /nfs/dbraw/zinc/50/04/32/1420500432.db2.gz IKPJUEGVYVSYGX-QRWLVFNGSA-N 1 2 342.487 3.112 10 30 EGEELO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)C1C(C)(C)C1(C)C ZINC001716475338 1420689299 /nfs/dbraw/zinc/68/92/99/1420689299.db2.gz WFMIYNPNZPWEHA-ZDUSSCGKSA-N 1 2 345.462 3.316 10 30 EGEELO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)C1C(C)(C)C1(C)C ZINC001716475338 1420689301 /nfs/dbraw/zinc/68/93/01/1420689301.db2.gz WFMIYNPNZPWEHA-ZDUSSCGKSA-N 1 2 345.462 3.316 10 30 EGEELO C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N)C1CCC1 ZINC001716484347 1420703060 /nfs/dbraw/zinc/70/30/60/1420703060.db2.gz XYVHYICDQQJOCI-UONOGXRCSA-N 1 2 331.435 3.070 10 30 EGEELO C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N)C1CCC1 ZINC001716484347 1420703063 /nfs/dbraw/zinc/70/30/63/1420703063.db2.gz XYVHYICDQQJOCI-UONOGXRCSA-N 1 2 331.435 3.070 10 30 EGEELO C#CCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001716722404 1420879513 /nfs/dbraw/zinc/87/95/13/1420879513.db2.gz ZXAKTGQPPJSKCI-HKBKRHGFSA-N 1 2 343.298 3.423 10 30 EGEELO N#CC[N@H+](CC1CC1)C1CCN(C(=O)c2ccsc2Cl)CC1 ZINC001716715146 1420871033 /nfs/dbraw/zinc/87/10/33/1420871033.db2.gz NNHLAPXXXPHLMC-UHFFFAOYSA-N 1 2 337.876 3.242 10 30 EGEELO N#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2ccsc2Cl)CC1 ZINC001716715146 1420871037 /nfs/dbraw/zinc/87/10/37/1420871037.db2.gz NNHLAPXXXPHLMC-UHFFFAOYSA-N 1 2 337.876 3.242 10 30 EGEELO C#CCCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001716722404 1420879510 /nfs/dbraw/zinc/87/95/10/1420879510.db2.gz ZXAKTGQPPJSKCI-HKBKRHGFSA-N 1 2 343.298 3.423 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)C1C[NH+](CCOc2c(C)cccc2C)C1 ZINC001716741872 1420897668 /nfs/dbraw/zinc/89/76/68/1420897668.db2.gz OMPWVZBTFZOOTM-UHFFFAOYSA-N 1 2 344.499 3.427 10 30 EGEELO C#CCN(C(=O)[C@H](C)CCCC)C1CC[NH+](Cc2cc(C)on2)CC1 ZINC001716805739 1420935107 /nfs/dbraw/zinc/93/51/07/1420935107.db2.gz ZMSTWEBHVHYWIO-MRXNPFEDSA-N 1 2 345.487 3.236 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@@]2(C)CCC[N@H+](Cc3cscn3)C2)C1 ZINC001716899244 1421028830 /nfs/dbraw/zinc/02/88/30/1421028830.db2.gz KPMBJVROLVNQTA-QGZVFWFLSA-N 1 2 333.501 3.218 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@@]2(C)CCC[N@@H+](Cc3cscn3)C2)C1 ZINC001716899244 1421028832 /nfs/dbraw/zinc/02/88/32/1421028832.db2.gz KPMBJVROLVNQTA-QGZVFWFLSA-N 1 2 333.501 3.218 10 30 EGEELO C=C(Cl)C[N@H+]1CCC[C@](CO)(NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001717027014 1421082575 /nfs/dbraw/zinc/08/25/75/1421082575.db2.gz QCGCMUMBEKSYLB-YJBOKZPZSA-N 1 2 344.927 3.144 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001717027014 1421082579 /nfs/dbraw/zinc/08/25/79/1421082579.db2.gz QCGCMUMBEKSYLB-YJBOKZPZSA-N 1 2 344.927 3.144 10 30 EGEELO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nnc(C)s1 ZINC001717037311 1421091240 /nfs/dbraw/zinc/09/12/40/1421091240.db2.gz KBKGNCPIWBDVEG-HUUCEWRRSA-N 1 2 348.516 3.014 10 30 EGEELO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1nnc(C)s1 ZINC001717037311 1421091244 /nfs/dbraw/zinc/09/12/44/1421091244.db2.gz KBKGNCPIWBDVEG-HUUCEWRRSA-N 1 2 348.516 3.014 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@H+](Cc2nnc(C(C)C)[nH]2)CC1 ZINC001717197921 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C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000661412707 462236642 /nfs/dbraw/zinc/23/66/42/462236642.db2.gz STPURAORLXGDEO-HKUYNNGSSA-N 1 2 342.487 3.044 10 30 EGEELO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000658137510 462400894 /nfs/dbraw/zinc/40/08/94/462400894.db2.gz HHVRFBSLTOCCNJ-HZPDHXFCSA-N 1 2 329.444 3.196 10 30 EGEELO C=CCOC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccc(F)cc1F ZINC000036104066 518996831 /nfs/dbraw/zinc/99/68/31/518996831.db2.gz MICASWOXXQQNLV-MRXNPFEDSA-N 1 2 337.366 3.124 10 30 EGEELO C=CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1F ZINC000036104066 518996835 /nfs/dbraw/zinc/99/68/35/518996835.db2.gz MICASWOXXQQNLV-MRXNPFEDSA-N 1 2 337.366 3.124 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CCCc3occc31)CCC2 ZINC000328658497 547482729 /nfs/dbraw/zinc/48/27/29/547482729.db2.gz RDGSPSUGLDQZTR-ZFWWWQNUSA-N 1 2 328.416 3.243 10 30 EGEELO O=C(NCc1cn2c([nH+]1)CCCC2)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000328846748 547486783 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COC(=O)c1cnc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000893958613 1306147296 /nfs/dbraw/zinc/14/72/96/1306147296.db2.gz POHUEVDCAWOZMR-UHFFFAOYSA-N 1 2 343.452 3.460 10 30 EGEELO C#C[C@@H]([NH2+]Cc1c2c(nn1C)CCSC2)c1ccc(Cl)cc1 ZINC000894795710 1309075504 /nfs/dbraw/zinc/07/55/04/1309075504.db2.gz SZZHOMMHMWWBES-OAHLLOKOSA-N 1 2 331.872 3.327 10 30 EGEELO C#C[C@H](NCc1c[nH+]c2n1CCC2)c1ccc(Br)cc1 ZINC000894869814 1309108291 /nfs/dbraw/zinc/10/82/91/1309108291.db2.gz DVHVFFLYWYYLHJ-HNNXBMFYSA-N 1 2 330.229 3.056 10 30 EGEELO N#Cc1c2ccccc2[nH]c1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000896163098 1309726009 /nfs/dbraw/zinc/72/60/09/1309726009.db2.gz JTMBNTSLTYPZTB-MLGOLLRUSA-N 1 2 349.394 3.015 10 30 EGEELO N#Cc1c2ccccc2[nH]c1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000896163098 1309726015 /nfs/dbraw/zinc/72/60/15/1309726015.db2.gz JTMBNTSLTYPZTB-MLGOLLRUSA-N 1 2 349.394 3.015 10 30 EGEELO C=CC[C@H]1CCN1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000929769567 1328693794 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COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cncc(C#N)c1 ZINC000930662543 1328928703 /nfs/dbraw/zinc/92/87/03/1328928703.db2.gz BFHFDYHSILQYDN-UHFFFAOYSA-N 1 2 333.794 3.394 10 30 EGEELO CCNC(=O)c1ccc(C[NH2+][C@H](CC)c2cccc(C#N)c2O)cc1 ZINC000924671228 1323104378 /nfs/dbraw/zinc/10/43/78/1323104378.db2.gz JJRWHCUSFYIRFR-GOSISDBHSA-N 1 2 337.423 3.254 10 30 EGEELO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000859890185 1329107249 /nfs/dbraw/zinc/10/72/49/1329107249.db2.gz JNXARZUWKKIMKA-OAHLLOKOSA-N 1 2 344.802 3.075 10 30 EGEELO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000859890185 1329107252 /nfs/dbraw/zinc/10/72/52/1329107252.db2.gz JNXARZUWKKIMKA-OAHLLOKOSA-N 1 2 344.802 3.075 10 30 EGEELO C=CCc1cc(C[NH2+][C@H](C)c2nn(CC)nc2C)cc(OC)c1OC ZINC000925358412 1325129305 /nfs/dbraw/zinc/12/93/05/1325129305.db2.gz XVSUSNCVJHKTJJ-CYBMUJFWSA-N 1 2 344.459 3.203 10 30 EGEELO CC[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1cccc(C#N)c1O ZINC000925653435 1325248669 /nfs/dbraw/zinc/24/86/69/1325248669.db2.gz XXOYRZAQMLAMHX-MRXNPFEDSA-N 1 2 345.443 3.171 10 30 EGEELO CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1cccc(C#N)c1O ZINC000926235906 1325487312 /nfs/dbraw/zinc/48/73/12/1325487312.db2.gz BPJSUGQTHHKTCL-QGZVFWFLSA-N 1 2 339.443 3.005 10 30 EGEELO CC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cccc(C#N)c1O ZINC000926442661 1325556116 /nfs/dbraw/zinc/55/61/16/1325556116.db2.gz JOGJFPXDYZIVTC-DYXWJJEUSA-N 1 2 336.435 3.471 10 30 EGEELO C#C[C@H]([NH2+]Cc1oc2ccccc2c1Br)[C@H]1CCCO1 ZINC001193594573 1368068685 /nfs/dbraw/zinc/06/86/85/1368068685.db2.gz WJVOIUXEVKYQFX-GXTWGEPZSA-N 1 2 334.213 3.466 10 30 EGEELO CC[C@H]([NH2+]C[C@H](CO)c1ccc(OC)cc1)c1cccc(C#N)c1O ZINC000926572303 1327619652 /nfs/dbraw/zinc/61/96/52/1327619652.db2.gz DMTDKYQVDBIVQN-APWZRJJASA-N 1 2 340.423 3.089 10 30 EGEELO CC[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cccc(C#N)c1O ZINC000927157318 1327897497 /nfs/dbraw/zinc/89/74/97/1327897497.db2.gz TXDLDHBYYFXDEF-QFUCXCTJSA-N 1 2 336.435 3.397 10 30 EGEELO C=C[C@@H](CC(=O)NCc1nc(C[NH+](C)C)cs1)c1ccccc1 ZINC000927765587 1328132159 /nfs/dbraw/zinc/13/21/59/1328132159.db2.gz BABVZXYITPVROH-AWEZNQCLSA-N 1 2 329.469 3.181 10 30 EGEELO CC(C)[N@H+](Cc1cn(C)nc1Br)Cc1ccc(C#N)cc1 ZINC000862220894 1329467182 /nfs/dbraw/zinc/46/71/82/1329467182.db2.gz YGFWKPRLVZMHSJ-UHFFFAOYSA-N 1 2 347.260 3.465 10 30 EGEELO CC(C)[N@@H+](Cc1cn(C)nc1Br)Cc1ccc(C#N)cc1 ZINC000862220894 1329467183 /nfs/dbraw/zinc/46/71/83/1329467183.db2.gz YGFWKPRLVZMHSJ-UHFFFAOYSA-N 1 2 347.260 3.465 10 30 EGEELO CC[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1cccc(C#N)c1O ZINC000863983423 1329592382 /nfs/dbraw/zinc/59/23/82/1329592382.db2.gz HNSAWKVSSBNUPT-OAHLLOKOSA-N 1 2 343.452 3.186 10 30 EGEELO C[N@H+](CC(F)F)C1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865589645 1329717236 /nfs/dbraw/zinc/71/72/36/1329717236.db2.gz HQOSIXPMAWDSSB-UHFFFAOYSA-N 1 2 348.319 3.138 10 30 EGEELO C[N@@H+](CC(F)F)C1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865589645 1329717237 /nfs/dbraw/zinc/71/72/37/1329717237.db2.gz HQOSIXPMAWDSSB-UHFFFAOYSA-N 1 2 348.319 3.138 10 30 EGEELO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000934466662 1329980793 /nfs/dbraw/zinc/98/07/93/1329980793.db2.gz UYUGGEPWYBOVSC-NSHDSACASA-N 1 2 327.197 3.177 10 30 EGEELO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000934466662 1329980794 /nfs/dbraw/zinc/98/07/94/1329980794.db2.gz UYUGGEPWYBOVSC-NSHDSACASA-N 1 2 327.197 3.177 10 30 EGEELO C=CC[C@H]1CC[N@@H+]1Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000934467063 1329980854 /nfs/dbraw/zinc/98/08/54/1329980854.db2.gz MSNZMXVOSGXUOY-INIZCTEOSA-N 1 2 327.453 3.475 10 30 EGEELO C=CC[C@H]1CC[N@H+]1Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000934467063 1329980856 /nfs/dbraw/zinc/98/08/56/1329980856.db2.gz MSNZMXVOSGXUOY-INIZCTEOSA-N 1 2 327.453 3.475 10 30 EGEELO C[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1cccc(C#N)c1O ZINC000866233600 1330082109 /nfs/dbraw/zinc/08/21/09/1330082109.db2.gz WZZAQAAUZDSHKD-CQSZACIVSA-N 1 2 335.407 3.241 10 30 EGEELO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866287243 1330091084 /nfs/dbraw/zinc/09/10/84/1330091084.db2.gz LBCLVFWJIKJFDR-SCLBCKFNSA-N 1 2 326.396 3.047 10 30 EGEELO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cccc(C#N)c1O ZINC000866335945 1330098158 /nfs/dbraw/zinc/09/81/58/1330098158.db2.gz MUXJLUUIAXJYEF-ZDUSSCGKSA-N 1 2 337.379 3.071 10 30 EGEELO C=CCn1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)nn1 ZINC000866379063 1330104089 /nfs/dbraw/zinc/10/40/89/1330104089.db2.gz GUJLPHBXDMJZLH-HXUWFJFHSA-N 1 2 333.439 3.323 10 30 EGEELO C[C@H]1CN(C(=O)c2sccc2CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000868873064 1330365897 /nfs/dbraw/zinc/36/58/97/1330365897.db2.gz JDJZHNSRTFQFOG-HNNXBMFYSA-N 1 2 339.464 3.161 10 30 EGEELO C[C@H]1CN(C(=O)c2sccc2CC#N)CC[N@H+]1Cc1ccccc1 ZINC000868873064 1330365902 /nfs/dbraw/zinc/36/59/02/1330365902.db2.gz JDJZHNSRTFQFOG-HNNXBMFYSA-N 1 2 339.464 3.161 10 30 EGEELO CC#CC[N@H+](C)Cc1cc(Br)c(O)c(Br)c1 ZINC001184115762 1387395043 /nfs/dbraw/zinc/39/50/43/1387395043.db2.gz NQYQRDKDNNMBKB-UHFFFAOYSA-N 1 2 347.050 3.372 10 30 EGEELO CC#CC[N@@H+](C)Cc1cc(Br)c(O)c(Br)c1 ZINC001184115762 1387395046 /nfs/dbraw/zinc/39/50/46/1387395046.db2.gz NQYQRDKDNNMBKB-UHFFFAOYSA-N 1 2 347.050 3.372 10 30 EGEELO CC(C)(F)C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001324570822 1387680612 /nfs/dbraw/zinc/68/06/12/1387680612.db2.gz HVVJRXXJHVBCID-GOSISDBHSA-N 1 2 336.838 3.020 10 30 EGEELO CC(C)(F)C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001324570822 1387680617 /nfs/dbraw/zinc/68/06/17/1387680617.db2.gz HVVJRXXJHVBCID-GOSISDBHSA-N 1 2 336.838 3.020 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001324640577 1387712102 /nfs/dbraw/zinc/71/21/02/1387712102.db2.gz CWQJHPROHTUHSB-KBXCAEBGSA-N 1 2 335.879 3.418 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001324640577 1387712104 /nfs/dbraw/zinc/71/21/04/1387712104.db2.gz CWQJHPROHTUHSB-KBXCAEBGSA-N 1 2 335.879 3.418 10 30 EGEELO C#CC[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1CSC1 ZINC001195976843 1368525953 /nfs/dbraw/zinc/52/59/53/1368525953.db2.gz BNNIKZMSPNLUSR-UHFFFAOYSA-N 1 2 336.460 3.490 10 30 EGEELO C#CC[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1CSC1 ZINC001195976843 1368525963 /nfs/dbraw/zinc/52/59/63/1368525963.db2.gz BNNIKZMSPNLUSR-UHFFFAOYSA-N 1 2 336.460 3.490 10 30 EGEELO Cc1c(C#N)cccc1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001118829080 1371235627 /nfs/dbraw/zinc/23/56/27/1371235627.db2.gz GMZSIHCYBRCWIA-LJQANCHMSA-N 1 2 344.418 3.314 10 30 EGEELO C=C(C)C[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OCC ZINC001207334680 1371364281 /nfs/dbraw/zinc/36/42/81/1371364281.db2.gz STJNNJUKSLFPMR-HOCLYGCPSA-N 1 2 334.416 3.403 10 30 EGEELO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC001119789506 1371404502 /nfs/dbraw/zinc/40/45/02/1371404502.db2.gz XPWVCSIEIMDBNC-HKUYNNGSSA-N 1 2 341.842 3.326 10 30 EGEELO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC001119789506 1371404505 /nfs/dbraw/zinc/40/45/05/1371404505.db2.gz XPWVCSIEIMDBNC-HKUYNNGSSA-N 1 2 341.842 3.326 10 30 EGEELO C=CCN(c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1CC)C1CC1 ZINC001121778032 1372078295 /nfs/dbraw/zinc/07/82/95/1372078295.db2.gz QGDKZEHYKVQAGG-MRXNPFEDSA-N 1 2 328.464 3.285 10 30 EGEELO CN(C)c1[nH+]ccc2cc(NC(=O)COc3cccc(C#N)c3)ccc21 ZINC001129119937 1373348393 /nfs/dbraw/zinc/34/83/93/1373348393.db2.gz HMJLZCOJJZTRFJ-UHFFFAOYSA-N 1 2 346.390 3.190 10 30 EGEELO COc1cc(C#N)ccc1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001129229787 1373363269 /nfs/dbraw/zinc/36/32/69/1373363269.db2.gz ICHKPJNHZBKMID-UHFFFAOYSA-N 1 2 346.390 3.433 10 30 EGEELO C#CCCOC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC001188427309 1388307464 /nfs/dbraw/zinc/30/74/64/1388307464.db2.gz NDONKTYZNZXPDR-VQIMIIECSA-N 1 2 343.471 3.082 10 30 EGEELO C#CCCOC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC001188427309 1388307467 /nfs/dbraw/zinc/30/74/67/1388307467.db2.gz NDONKTYZNZXPDR-VQIMIIECSA-N 1 2 343.471 3.082 10 30 EGEELO 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EGEELO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](Cc2nccs2)CC1(C)C ZINC001700292197 1413745777 /nfs/dbraw/zinc/74/57/77/1413745777.db2.gz IGXDHUMPJCDZDF-KBXCAEBGSA-N 1 2 335.517 3.462 10 30 EGEELO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2nccs2)CC1(C)C ZINC001700292197 1413745781 /nfs/dbraw/zinc/74/57/81/1413745781.db2.gz IGXDHUMPJCDZDF-KBXCAEBGSA-N 1 2 335.517 3.462 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@H+](Cc2cscn2)CC1(C)C ZINC001700293012 1413748927 /nfs/dbraw/zinc/74/89/27/1413748927.db2.gz ORLDVKUPPYEZJQ-QAPCUYQASA-N 1 2 335.517 3.462 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)CC1(C)C ZINC001700293012 1413748931 /nfs/dbraw/zinc/74/89/31/1413748931.db2.gz ORLDVKUPPYEZJQ-QAPCUYQASA-N 1 2 335.517 3.462 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)cn2)[C@@H](C)C1 ZINC001700314017 1413770387 /nfs/dbraw/zinc/77/03/87/1413770387.db2.gz OPJBCKHIIADETR-WMZOPIPTSA-N 1 2 342.487 3.023 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)cn2)[C@@H](C)C1 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EGEELO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001700548261 1414217461 /nfs/dbraw/zinc/21/74/61/1414217461.db2.gz BBHFWAJRUOORMO-GOEBONIOSA-N 1 2 334.891 3.363 10 30 EGEELO C#CCCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ncc(CC)o2)[C@@H]1C ZINC001700878554 1414533774 /nfs/dbraw/zinc/53/37/74/1414533774.db2.gz HXAFPDVIDQNHPL-AEFFLSMTSA-N 1 2 345.487 3.290 10 30 EGEELO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](Cc2ncc(CC)o2)[C@@H]1C ZINC001700878554 1414533779 /nfs/dbraw/zinc/53/37/79/1414533779.db2.gz HXAFPDVIDQNHPL-AEFFLSMTSA-N 1 2 345.487 3.290 10 30 EGEELO C[C@H]1[C@H](NC(=O)C#CC(C)(C)C)CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001700879714 1414535608 /nfs/dbraw/zinc/53/56/08/1414535608.db2.gz VJDYLCXIAJBMAQ-GOEBONIOSA-N 1 2 347.890 3.254 10 30 EGEELO C[C@H]1[C@H](NC(=O)C#CC(C)(C)C)CCC[N@H+]1Cc1ccnc(Cl)c1 ZINC001700879714 1414535610 /nfs/dbraw/zinc/53/56/10/1414535610.db2.gz VJDYLCXIAJBMAQ-GOEBONIOSA-N 1 2 347.890 3.254 10 30 EGEELO C=C(C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C(C)(C)C1 ZINC001700918702 1414570547 /nfs/dbraw/zinc/57/05/47/1414570547.db2.gz OKOQLWWGOXXFJY-UKRRQHHQSA-N 1 2 346.475 3.191 10 30 EGEELO C[C@@H]1CC[C@H](C(=O)N(C)CC[N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001732593092 1428820172 /nfs/dbraw/zinc/82/01/72/1428820172.db2.gz SJSJEXHXQFELFO-CABCVRRESA-N 1 2 331.435 3.024 10 30 EGEELO C[C@@H]1CC[C@H](C(=O)N(C)CC[N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001732593092 1428820178 /nfs/dbraw/zinc/82/01/78/1428820178.db2.gz SJSJEXHXQFELFO-CABCVRRESA-N 1 2 331.435 3.024 10 30 EGEELO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)CCC1CCC1 ZINC001733034819 1429159314 /nfs/dbraw/zinc/15/93/14/1429159314.db2.gz XQYDCHDLBPVCAX-AWEZNQCLSA-N 1 2 331.435 3.214 10 30 EGEELO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)CCC1CCC1 ZINC001733034819 1429159317 /nfs/dbraw/zinc/15/93/17/1429159317.db2.gz XQYDCHDLBPVCAX-AWEZNQCLSA-N 1 2 331.435 3.214 10 30 EGEELO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2nnc(C(C)(C)C)o2)[C@@H]1CC ZINC001707194971 1417240229 /nfs/dbraw/zinc/24/02/29/1417240229.db2.gz MYMSSHSCKPYANH-LSDHHAIUSA-N 1 2 348.491 3.193 10 30 EGEELO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2nnc(C(C)(C)C)o2)[C@@H]1CC ZINC001707194971 1417240231 /nfs/dbraw/zinc/24/02/31/1417240231.db2.gz MYMSSHSCKPYANH-LSDHHAIUSA-N 1 2 348.491 3.193 10 30 EGEELO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001707260464 1417270701 /nfs/dbraw/zinc/27/07/01/1417270701.db2.gz YHOULXLMIZMPAH-HEFCMCLBSA-N 1 2 343.446 3.379 10 30 EGEELO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001707260464 1417270704 /nfs/dbraw/zinc/27/07/04/1417270704.db2.gz YHOULXLMIZMPAH-HEFCMCLBSA-N 1 2 343.446 3.379 10 30 EGEELO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC001712997661 1417549441 /nfs/dbraw/zinc/54/94/41/1417549441.db2.gz AMRLGTBDLGLCSY-GDBMZVCRSA-N 1 2 346.475 3.163 10 30 EGEELO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC(C)C)CC(C)C ZINC001713145210 1417728307 /nfs/dbraw/zinc/72/83/07/1417728307.db2.gz RDNDQQNEXBGMFX-BGYRXZFFSA-N 1 2 348.531 3.020 10 30 EGEELO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC(C)C)CC(C)C ZINC001713145210 1417728310 /nfs/dbraw/zinc/72/83/10/1417728310.db2.gz RDNDQQNEXBGMFX-BGYRXZFFSA-N 1 2 348.531 3.020 10 30 EGEELO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)/C=C/C(C)(C)C ZINC001713249396 1417838812 /nfs/dbraw/zinc/83/88/12/1417838812.db2.gz PDPMKDUPLQOJLP-MYSGNRETSA-N 1 2 343.309 3.468 10 30 EGEELO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C/C(C)(C)C ZINC001713249396 1417838814 /nfs/dbraw/zinc/83/88/14/1417838814.db2.gz PDPMKDUPLQOJLP-MYSGNRETSA-N 1 2 343.309 3.468 10 30 EGEELO C=CCCC(=O)NCC[N@@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC001713447920 1418090222 /nfs/dbraw/zinc/09/02/22/1418090222.db2.gz LTMGSPFJQXLHNX-OAHLLOKOSA-N 1 2 327.428 3.417 10 30 EGEELO C=CCCC(=O)NCC[N@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC001713447920 1418090228 /nfs/dbraw/zinc/09/02/28/1418090228.db2.gz LTMGSPFJQXLHNX-OAHLLOKOSA-N 1 2 327.428 3.417 10 30 EGEELO CCCc1ccccc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001713458841 1418113457 /nfs/dbraw/zinc/11/34/57/1418113457.db2.gz FSQGRUJYADDMLD-UHFFFAOYSA-N 1 2 335.451 3.373 10 30 EGEELO CCCc1ccccc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001713458841 1418113460 /nfs/dbraw/zinc/11/34/60/1418113460.db2.gz FSQGRUJYADDMLD-UHFFFAOYSA-N 1 2 335.451 3.373 10 30 EGEELO C=CC1(CC(=O)N(C)CC[NH2+][C@H](C)c2csnn2)CCCCC1 ZINC001713643380 1418408886 /nfs/dbraw/zinc/40/88/86/1418408886.db2.gz ILZPGXSPFYEVAC-CQSZACIVSA-N 1 2 336.505 3.174 10 30 EGEELO CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C(F)F)c1 ZINC001713708207 1418468088 /nfs/dbraw/zinc/46/80/88/1418468088.db2.gz RAEPMYDRZAGTQG-HDICACEKSA-N 1 2 346.421 3.459 10 30 EGEELO CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(F)F)c1 ZINC001713708207 1418468091 /nfs/dbraw/zinc/46/80/91/1418468091.db2.gz RAEPMYDRZAGTQG-HDICACEKSA-N 1 2 346.421 3.459 10 30 EGEELO C=C(Br)C[NH+]1CCC(N(C)C(=O)/C=C\C(C)(C)C)CC1 ZINC001713777035 1418593162 /nfs/dbraw/zinc/59/31/62/1418593162.db2.gz AMRUSPQYXWESDI-TWGQIWQCSA-N 1 2 343.309 3.420 10 30 EGEELO C=CC(C)(C)C(=O)N(C)C1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001713782779 1418599120 /nfs/dbraw/zinc/59/91/20/1418599120.db2.gz ZCEOVZWSYMDWRN-LBPRGKRZSA-N 1 2 336.505 3.043 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)sc3C)C2)CCC1 ZINC001713829717 1418628672 /nfs/dbraw/zinc/62/86/72/1418628672.db2.gz JVOKVGRKDOLORI-HNNXBMFYSA-N 1 2 333.501 3.197 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)sc3C)C2)CCC1 ZINC001713829717 1418628674 /nfs/dbraw/zinc/62/86/74/1418628674.db2.gz JVOKVGRKDOLORI-HNNXBMFYSA-N 1 2 333.501 3.197 10 30 EGEELO CC1=CC[C@](C)(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC1 ZINC001713926154 1418718314 /nfs/dbraw/zinc/71/83/14/1418718314.db2.gz ZBMGZFOWJRILCU-NRFANRHFSA-N 1 2 337.467 3.243 10 30 EGEELO C=CCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc(C(C)C)n3)C2)CCCC1 ZINC001714024458 1418808034 /nfs/dbraw/zinc/80/80/34/1418808034.db2.gz WKCGCRPRYRUCEV-GASCZTMLSA-N 1 2 346.475 3.066 10 30 EGEELO C#CCCCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001714037293 1418826830 /nfs/dbraw/zinc/82/68/30/1418826830.db2.gz NKXLETZONDQWGX-INIZCTEOSA-N 1 2 333.501 3.068 10 30 EGEELO C#CCCCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001714037293 1418826835 /nfs/dbraw/zinc/82/68/35/1418826835.db2.gz NKXLETZONDQWGX-INIZCTEOSA-N 1 2 333.501 3.068 10 30 EGEELO C=CCCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C(C)C)no1 ZINC001714134766 1418937344 /nfs/dbraw/zinc/93/73/44/1418937344.db2.gz MCMTVTGSAFMWSF-HNNXBMFYSA-N 1 2 334.464 3.020 10 30 EGEELO C=CCC(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C(C)C)o1 ZINC001714136619 1418939877 /nfs/dbraw/zinc/93/98/77/1418939877.db2.gz KTPBEAPNVNWLBM-HNNXBMFYSA-N 1 2 348.491 3.266 10 30 EGEELO C=CC1(CC(=O)NC[C@H](C)[NH2+][C@H](C)c2csnn2)CCCCC1 ZINC001714283296 1419063480 /nfs/dbraw/zinc/06/34/80/1419063480.db2.gz FGOVTKRHOPJPDA-UONOGXRCSA-N 1 2 336.505 3.220 10 30 EGEELO C[C@@H]1CCC[C@H]1CC(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001714542175 1419267266 /nfs/dbraw/zinc/26/72/66/1419267266.db2.gz ACQBEDLURFDZGZ-ZBFHGGJFSA-N 1 2 331.435 3.072 10 30 EGEELO C[C@@H]1CCC[C@H]1CC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001714542175 1419267268 /nfs/dbraw/zinc/26/72/68/1419267268.db2.gz ACQBEDLURFDZGZ-ZBFHGGJFSA-N 1 2 331.435 3.072 10 30 EGEELO C=C/C(C)=C/CC(=O)NCC[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001714591372 1419338875 /nfs/dbraw/zinc/33/88/75/1419338875.db2.gz NOKKQRBICMRCGR-GIDUJCDVSA-N 1 2 329.419 3.158 10 30 EGEELO C=C/C(C)=C/CC(=O)NCC[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001714591372 1419338879 /nfs/dbraw/zinc/33/88/79/1419338879.db2.gz NOKKQRBICMRCGR-GIDUJCDVSA-N 1 2 329.419 3.158 10 30 EGEELO C#CCCCC(=O)N(CCC)[C@@H]1CC[N@H+](Cc2csc(CC)n2)C1 ZINC001714853950 1419567301 /nfs/dbraw/zinc/56/73/01/1419567301.db2.gz BAAUHBPNMWHHIM-QGZVFWFLSA-N 1 2 347.528 3.322 10 30 EGEELO C#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001714853950 1419567304 /nfs/dbraw/zinc/56/73/04/1419567304.db2.gz BAAUHBPNMWHHIM-QGZVFWFLSA-N 1 2 347.528 3.322 10 30 EGEELO C=CCC1(C(=O)NCC[C@@H]2CC[N@H+](Cc3nncs3)C2)CCCC1 ZINC001714885576 1419626273 /nfs/dbraw/zinc/62/62/73/1419626273.db2.gz UZPCVKWBQZNUPN-OAHLLOKOSA-N 1 2 348.516 3.003 10 30 EGEELO C=CCC1(C(=O)NCC[C@@H]2CC[N@@H+](Cc3nncs3)C2)CCCC1 ZINC001714885576 1419626275 /nfs/dbraw/zinc/62/62/75/1419626275.db2.gz UZPCVKWBQZNUPN-OAHLLOKOSA-N 1 2 348.516 3.003 10 30 EGEELO CN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001715007381 1419736901 /nfs/dbraw/zinc/73/69/01/1419736901.db2.gz BGFYJLIVXIZQIL-HNNXBMFYSA-N 1 2 348.874 3.128 10 30 EGEELO CN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001715007381 1419736902 /nfs/dbraw/zinc/73/69/02/1419736902.db2.gz BGFYJLIVXIZQIL-HNNXBMFYSA-N 1 2 348.874 3.128 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001715011302 1419739432 /nfs/dbraw/zinc/73/94/32/1419739432.db2.gz BZYASIFUOPWZGT-XHDPSFHLSA-N 1 2 339.867 3.070 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001715011302 1419739434 /nfs/dbraw/zinc/73/94/34/1419739434.db2.gz BZYASIFUOPWZGT-XHDPSFHLSA-N 1 2 339.867 3.070 10 30 EGEELO C#CCCCCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001715039671 1419777470 /nfs/dbraw/zinc/77/74/70/1419777470.db2.gz LFJUULZFYNLVJG-KRWDZBQOSA-N 1 2 347.528 3.458 10 30 EGEELO C#CCCCCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001715039671 1419777472 /nfs/dbraw/zinc/77/74/72/1419777472.db2.gz LFJUULZFYNLVJG-KRWDZBQOSA-N 1 2 347.528 3.458 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CC#Cc2ccccc2)C1 ZINC001715042964 1419782281 /nfs/dbraw/zinc/78/22/81/1419782281.db2.gz DVURMHQDTXXXHG-GOSISDBHSA-N 1 2 330.859 3.104 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC#Cc2ccccc2)C1 ZINC001715042964 1419782283 /nfs/dbraw/zinc/78/22/83/1419782283.db2.gz DVURMHQDTXXXHG-GOSISDBHSA-N 1 2 330.859 3.104 10 30 EGEELO C=CCCCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001715047469 1419788821 /nfs/dbraw/zinc/78/88/21/1419788821.db2.gz VSPMBXOBZCKILA-MRXNPFEDSA-N 1 2 345.487 3.333 10 30 EGEELO C=CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001715047469 1419788823 /nfs/dbraw/zinc/78/88/23/1419788823.db2.gz VSPMBXOBZCKILA-MRXNPFEDSA-N 1 2 345.487 3.333 10 30 EGEELO C#CCCCC(=O)NCc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)cc1 ZINC001715194245 1419925731 /nfs/dbraw/zinc/92/57/31/1419925731.db2.gz ANXURZAIQKFJLC-MRXNPFEDSA-N 1 2 339.439 3.254 10 30 EGEELO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C[C@@H]1CC=CCC1 ZINC001715530740 1420220593 /nfs/dbraw/zinc/22/05/93/1420220593.db2.gz NCYZQLDTWWCUHW-MRXNPFEDSA-N 1 2 343.446 3.334 10 30 EGEELO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C[C@@H]1CC=CCC1 ZINC001715530740 1420220597 /nfs/dbraw/zinc/22/05/97/1420220597.db2.gz NCYZQLDTWWCUHW-MRXNPFEDSA-N 1 2 343.446 3.334 10 30 EGEELO C=C(C)C(C)(C)C(=O)NCC1([NH2+]Cc2ncc(Cl)s2)CC1 ZINC001733252173 1429400503 /nfs/dbraw/zinc/40/05/03/1429400503.db2.gz ZNDBBJUPNULTLX-UHFFFAOYSA-N 1 2 327.881 3.137 10 30 EGEELO C=CCCC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC001715771625 1420337174 /nfs/dbraw/zinc/33/71/74/1420337174.db2.gz ZMCOZUKPPOVHPM-ZDUSSCGKSA-N 1 2 348.472 3.216 10 30 EGEELO C=CCCC(=O)N(C)CC[N@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC001715771625 1420337176 /nfs/dbraw/zinc/33/71/76/1420337176.db2.gz ZMCOZUKPPOVHPM-ZDUSSCGKSA-N 1 2 348.472 3.216 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC001715939835 1420410160 /nfs/dbraw/zinc/41/01/60/1420410160.db2.gz GKBYMKTWCJKYAD-JXFKEZNVSA-N 1 2 345.487 3.006 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC001715939835 1420410161 /nfs/dbraw/zinc/41/01/61/1420410161.db2.gz GKBYMKTWCJKYAD-JXFKEZNVSA-N 1 2 345.487 3.006 10 30 EGEELO C#CCCCC(=O)N[C@H](C)C[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC001716031034 1420489383 /nfs/dbraw/zinc/48/93/83/1420489383.db2.gz UEBFHQQEAWMYRJ-CQSZACIVSA-N 1 2 345.468 3.143 10 30 EGEELO C#CCCCC(=O)N[C@H](C)C[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC001716031034 1420489384 /nfs/dbraw/zinc/48/93/84/1420489384.db2.gz UEBFHQQEAWMYRJ-CQSZACIVSA-N 1 2 345.468 3.143 10 30 EGEELO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1CCc2ccccc2CC1 ZINC001716032534 1420491685 /nfs/dbraw/zinc/49/16/85/1420491685.db2.gz RLLQRSFVDJBVLR-OAHLLOKOSA-N 1 2 334.891 3.371 10 30 EGEELO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1CCc2ccccc2CC1 ZINC001716032534 1420491686 /nfs/dbraw/zinc/49/16/86/1420491686.db2.gz RLLQRSFVDJBVLR-OAHLLOKOSA-N 1 2 334.891 3.371 10 30 EGEELO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001716036440 1420496432 /nfs/dbraw/zinc/49/64/32/1420496432.db2.gz DBBKXRQQHLCYKE-HOTGVXAUSA-N 1 2 338.879 3.089 10 30 EGEELO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001716036440 1420496435 /nfs/dbraw/zinc/49/64/35/1420496435.db2.gz DBBKXRQQHLCYKE-HOTGVXAUSA-N 1 2 338.879 3.089 10 30 EGEELO CCc1occc1C(=O)N[C@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001716479085 1420694643 /nfs/dbraw/zinc/69/46/43/1420694643.db2.gz TYZMXBHCFHQQQJ-CYBMUJFWSA-N 1 2 343.402 3.103 10 30 EGEELO CCc1occc1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001716479085 1420694645 /nfs/dbraw/zinc/69/46/45/1420694645.db2.gz TYZMXBHCFHQQQJ-CYBMUJFWSA-N 1 2 343.402 3.103 10 30 EGEELO C[C@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCC1(C)C ZINC001716491262 1420712041 /nfs/dbraw/zinc/71/20/41/1420712041.db2.gz NXWMKZGNZAQQIJ-CXAGYDPISA-N 1 2 331.435 3.070 10 30 EGEELO C[C@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCC1(C)C ZINC001716491262 1420712042 /nfs/dbraw/zinc/71/20/42/1420712042.db2.gz NXWMKZGNZAQQIJ-CXAGYDPISA-N 1 2 331.435 3.070 10 30 EGEELO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)c1ccc(OC)cc1 ZINC001716507908 1420739492 /nfs/dbraw/zinc/73/94/92/1420739492.db2.gz IAERGTHBAUNITP-RHSMWYFYSA-N 1 2 338.879 3.378 10 30 EGEELO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC)c1ccc(OC)cc1 ZINC001716507908 1420739493 /nfs/dbraw/zinc/73/94/93/1420739493.db2.gz IAERGTHBAUNITP-RHSMWYFYSA-N 1 2 338.879 3.378 10 30 EGEELO C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](Cc2nncs2)C1 ZINC001716707276 1420861348 /nfs/dbraw/zinc/86/13/48/1420861348.db2.gz XOFQHIUPBXDANU-HZPDHXFCSA-N 1 2 348.516 3.097 10 30 EGEELO C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](Cc2nncs2)C1 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1421422294 /nfs/dbraw/zinc/42/22/94/1421422294.db2.gz QUKXAWRVPVYQHK-HUUCEWRRSA-N 1 2 331.435 3.236 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001717554675 1421491883 /nfs/dbraw/zinc/49/18/83/1421491883.db2.gz GUOQNEFJYBXQKQ-GFCCVEGCSA-N 1 2 336.863 3.194 10 30 EGEELO C=C1CC(C)(C(=O)N[C@@H](C)C2C[NH+](Cc3cc(F)ccc3F)C2)C1 ZINC001717555755 1421492719 /nfs/dbraw/zinc/49/27/19/1421492719.db2.gz FMIQEKUSFXAVJZ-ZDUSSCGKSA-N 1 2 334.410 3.258 10 30 EGEELO C=CCCC(=O)N1C[C@]2(C)C[N@@H+]([C@H](C)c3nnc(C)s3)C[C@]2(C)C1 ZINC001717631763 1421541890 /nfs/dbraw/zinc/54/18/90/1421541890.db2.gz NZZSJSAIKMVXNK-XWIAVFTESA-N 1 2 348.516 3.044 10 30 EGEELO C=CCCC(=O)N1C[C@]2(C)C[N@H+]([C@H](C)c3nnc(C)s3)C[C@]2(C)C1 ZINC001717631763 1421541892 /nfs/dbraw/zinc/54/18/92/1421541892.db2.gz NZZSJSAIKMVXNK-XWIAVFTESA-N 1 2 348.516 3.044 10 30 EGEELO C=CCC1(C(=O)N(C)C[C@H](C)[NH2+]Cc2nc(C(C)C)no2)CCCC1 ZINC001717756065 1421619202 /nfs/dbraw/zinc/61/92/02/1421619202.db2.gz LGVROINSAOPBQC-HNNXBMFYSA-N 1 2 348.491 3.266 10 30 EGEELO C#CCCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccncc2Cl)[C@@H]1C ZINC001717853302 1421665148 /nfs/dbraw/zinc/66/51/48/1421665148.db2.gz WNXHUHYFUFVIHD-QAPCUYQASA-N 1 2 347.890 3.398 10 30 EGEELO C#CCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccncc2Cl)[C@@H]1C ZINC001717853302 1421665149 /nfs/dbraw/zinc/66/51/49/1421665149.db2.gz WNXHUHYFUFVIHD-QAPCUYQASA-N 1 2 347.890 3.398 10 30 EGEELO CC(C)CCCC(=O)N(C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001733313484 1429497847 /nfs/dbraw/zinc/49/78/47/1429497847.db2.gz RMRKCTHJCDSVCA-UHFFFAOYSA-N 1 2 343.471 3.058 10 30 EGEELO CC(C)C#CC(=O)NCC1=CC[N@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001718021200 1421776492 /nfs/dbraw/zinc/77/64/92/1421776492.db2.gz VWYLNGWOLPLAIO-UHFFFAOYSA-N 1 2 348.849 3.387 10 30 EGEELO CC(C)C#CC(=O)NCC1=CC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001718021200 1421776494 /nfs/dbraw/zinc/77/64/94/1421776494.db2.gz VWYLNGWOLPLAIO-UHFFFAOYSA-N 1 2 348.849 3.387 10 30 EGEELO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CO[C@@H]2CCC[C@H](C)C2)CC1 ZINC001718029175 1421781784 /nfs/dbraw/zinc/78/17/84/1421781784.db2.gz QLSWANBJNBPKQT-WMLDXEAASA-N 1 2 340.895 3.083 10 30 EGEELO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CO[C@@H]2CCC[C@H](C)C2)CC1 ZINC001718029175 1421781786 /nfs/dbraw/zinc/78/17/86/1421781786.db2.gz QLSWANBJNBPKQT-WMLDXEAASA-N 1 2 340.895 3.083 10 30 EGEELO C=CCC1(C(=O)N(C)C2C[NH+](CCOCC3CCC3)C2)CCCCC1 ZINC001733317955 1429504220 /nfs/dbraw/zinc/50/42/20/1429504220.db2.gz JEWCOOIBWYXSRN-UHFFFAOYSA-N 1 2 348.531 3.472 10 30 EGEELO CC(C)(C)C#CC(=O)NC1(C)CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001733358413 1429540043 /nfs/dbraw/zinc/54/00/43/1429540043.db2.gz JHWUJSQDVNHEGD-ACCUITESSA-N 1 2 331.287 3.326 10 30 EGEELO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(Cl)c(OC)c1 ZINC001723431562 1424399013 /nfs/dbraw/zinc/39/90/13/1424399013.db2.gz AYZQPQHWUOWHIC-OAHLLOKOSA-N 1 2 336.863 3.395 10 30 EGEELO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(Cl)c(OC)c1 ZINC001723431562 1424399017 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456365197 /nfs/dbraw/zinc/36/51/97/456365197.db2.gz GBOWOQHJOCABEE-GDBMZVCRSA-N 1 2 342.468 3.197 10 30 EGEELO Cc1ccc(NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)nc1C#N ZINC000302616991 456365203 /nfs/dbraw/zinc/36/52/03/456365203.db2.gz GBOWOQHJOCABEE-GDBMZVCRSA-N 1 2 342.468 3.197 10 30 EGEELO N#Cc1cc(N2CCCC[C@H]2c2[nH]cc[nH+]2)nc2ccc([N+](=O)[O-])cc12 ZINC000302630199 456366912 /nfs/dbraw/zinc/36/69/12/456366912.db2.gz GKCLZZZDMRAUFD-INIZCTEOSA-N 1 2 348.366 3.469 10 30 EGEELO COC(=O)C[C@@](C)([NH2+]Cc1ccccc1C#N)c1cccc(F)c1 ZINC000353140973 456517425 /nfs/dbraw/zinc/51/74/25/456517425.db2.gz BYSLNIBNFLJKLJ-LJQANCHMSA-N 1 2 326.371 3.265 10 30 EGEELO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@@H](O)c1ccccc1 ZINC000328625882 456722550 /nfs/dbraw/zinc/72/25/50/456722550.db2.gz DPPRHVJPQPVETB-ZOBUZTSGSA-N 1 2 348.443 3.351 10 30 EGEELO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@@H](O)c1ccccc1 ZINC000328625882 456722556 /nfs/dbraw/zinc/72/25/56/456722556.db2.gz DPPRHVJPQPVETB-ZOBUZTSGSA-N 1 2 348.443 3.351 10 30 EGEELO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)nc1C ZINC000348515961 456727159 /nfs/dbraw/zinc/72/71/59/456727159.db2.gz PAOCAICVQPDNIJ-LLVKDONJSA-N 1 2 347.415 3.490 10 30 EGEELO CO[C@]1(C)C[C@H](N(C)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1(C)C ZINC000328662097 456731809 /nfs/dbraw/zinc/73/18/09/456731809.db2.gz XDJGPPTYDVEQLP-ZRGWGRIASA-N 1 2 348.491 3.118 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)CCC2 ZINC000328697296 456740157 /nfs/dbraw/zinc/74/01/57/456740157.db2.gz DNOKLAPMLGOTTH-LRDDRELGSA-N 1 2 343.475 3.255 10 30 EGEELO CC[C@H](NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)c1ccncc1 ZINC000328715166 456744081 /nfs/dbraw/zinc/74/40/81/456744081.db2.gz OIIBHYWIKAOFKU-CVEARBPZSA-N 1 2 327.432 3.119 10 30 EGEELO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)cc1 ZINC000340959495 456783558 /nfs/dbraw/zinc/78/35/58/456783558.db2.gz QMHIYGARIBSWTR-GOEBONIOSA-N 1 2 345.855 3.448 10 30 EGEELO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)cc1 ZINC000340959495 456783562 /nfs/dbraw/zinc/78/35/62/456783562.db2.gz QMHIYGARIBSWTR-GOEBONIOSA-N 1 2 345.855 3.448 10 30 EGEELO Cc1cc([C@H]2CCCN2C(=O)Nc2ccc3[nH+]c(C)cn3c2)on1 ZINC000329224961 456857197 /nfs/dbraw/zinc/85/71/97/456857197.db2.gz FVWYCKANASYJMT-CQSZACIVSA-N 1 2 325.372 3.322 10 30 EGEELO CC1(C)C[C@H]([NH+]=C([O-])N[C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2O1 ZINC000329624434 456917462 /nfs/dbraw/zinc/91/74/62/456917462.db2.gz SJYKWOUCKCOQGS-WBMJQRKESA-N 1 2 340.427 3.073 10 30 EGEELO CC1(C)C[C@H](NC([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc2O1 ZINC000329624434 456917466 /nfs/dbraw/zinc/91/74/66/456917466.db2.gz SJYKWOUCKCOQGS-WBMJQRKESA-N 1 2 340.427 3.073 10 30 EGEELO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]1c1cccc(F)c1 ZINC000329722885 456931333 /nfs/dbraw/zinc/93/13/33/456931333.db2.gz NNQHKRAEIQIDAN-CDHAZOANSA-N 1 2 342.418 3.403 10 30 EGEELO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1c1cccc(F)c1 ZINC000329722885 456931338 /nfs/dbraw/zinc/93/13/38/456931338.db2.gz NNQHKRAEIQIDAN-CDHAZOANSA-N 1 2 342.418 3.403 10 30 EGEELO CCc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)nc1 ZINC000339130588 456954812 /nfs/dbraw/zinc/95/48/12/456954812.db2.gz WKMFQQUACSSCSW-UHFFFAOYSA-N 1 2 340.858 3.491 10 30 EGEELO N#Cc1ccsc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341900389 456991755 /nfs/dbraw/zinc/99/17/55/456991755.db2.gz LJDNJVSZIXYLIL-UHFFFAOYSA-N 1 2 328.441 3.149 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)C2 ZINC000354303246 457184270 /nfs/dbraw/zinc/18/42/70/457184270.db2.gz SRRLQWHROOUKOQ-CZUORRHYSA-N 1 2 336.439 3.387 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)CC2 ZINC000354303246 457184276 /nfs/dbraw/zinc/18/42/76/457184276.db2.gz SRRLQWHROOUKOQ-CZUORRHYSA-N 1 2 336.439 3.387 10 30 EGEELO Cc1cn2cc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)ccc2[nH+]1 ZINC000339691805 457217022 /nfs/dbraw/zinc/21/70/22/457217022.db2.gz RDPMPFRGIJEJQC-UHFFFAOYSA-N 1 2 345.284 3.181 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1CCC(C#N)CC1)C2 ZINC000374208334 457523913 /nfs/dbraw/zinc/52/39/13/457523913.db2.gz CZXGGDRTBXJLPC-YMAMQOFZSA-N 1 2 328.460 3.084 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1CCC(C#N)CC1)CC2 ZINC000374208334 457523923 /nfs/dbraw/zinc/52/39/23/457523923.db2.gz CZXGGDRTBXJLPC-YMAMQOFZSA-N 1 2 328.460 3.084 10 30 EGEELO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000434834011 458055122 /nfs/dbraw/zinc/05/51/22/458055122.db2.gz NZWKOPKLBWHMHW-LJQANCHMSA-N 1 2 347.422 3.052 10 30 EGEELO C=CCn1c(C)nnc1SCc1c[nH+]cn1Cc1ccccc1 ZINC000445603800 458068558 /nfs/dbraw/zinc/06/85/58/458068558.db2.gz HEERLBVMRXPEED-UHFFFAOYSA-N 1 2 325.441 3.310 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C#N)C1CCCCC1)C2 ZINC000376063715 458183510 /nfs/dbraw/zinc/18/35/10/458183510.db2.gz AKSKOTZWOQSLGJ-WMLDXEAASA-N 1 2 328.460 3.227 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)C1CCCCC1)CC2 ZINC000376063715 458183514 /nfs/dbraw/zinc/18/35/14/458183514.db2.gz AKSKOTZWOQSLGJ-WMLDXEAASA-N 1 2 328.460 3.227 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)C2 ZINC000372395510 458300286 /nfs/dbraw/zinc/30/02/86/458300286.db2.gz ZYZXHLMBQJVJQJ-LLVKDONJSA-N 1 2 326.375 3.287 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(F)c(C#N)c1)CC2 ZINC000372395510 458300287 /nfs/dbraw/zinc/30/02/87/458300287.db2.gz ZYZXHLMBQJVJQJ-LLVKDONJSA-N 1 2 326.375 3.287 10 30 EGEELO CC(C)[N@H+](CCc1nccs1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459376227 458349368 /nfs/dbraw/zinc/34/93/68/458349368.db2.gz NIGZNNWXYOGDET-UHFFFAOYSA-N 1 2 330.413 3.376 10 30 EGEELO CC(C)[N@@H+](CCc1nccs1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459376227 458349372 /nfs/dbraw/zinc/34/93/72/458349372.db2.gz NIGZNNWXYOGDET-UHFFFAOYSA-N 1 2 330.413 3.376 10 30 EGEELO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000373710303 458580778 /nfs/dbraw/zinc/58/07/78/458580778.db2.gz IHMAPDKCMOQUOD-UHFFFAOYSA-N 1 2 347.422 3.032 10 30 EGEELO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000373793534 458605766 /nfs/dbraw/zinc/60/57/66/458605766.db2.gz UPYRLEQTZROGSL-GOSISDBHSA-N 1 2 343.427 3.361 10 30 EGEELO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000373793534 458605771 /nfs/dbraw/zinc/60/57/71/458605771.db2.gz UPYRLEQTZROGSL-GOSISDBHSA-N 1 2 343.427 3.361 10 30 EGEELO CCc1nc(C(C)(C)[NH2+]Cc2cccc(OCCCC#N)c2)no1 ZINC000441215710 458901950 /nfs/dbraw/zinc/90/19/50/458901950.db2.gz DXVZSOOWZLNHBE-UHFFFAOYSA-N 1 2 328.416 3.339 10 30 EGEELO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(F)cc2C)c1C#N ZINC000556670643 458985706 /nfs/dbraw/zinc/98/57/06/458985706.db2.gz QPGDPRSHTVPLAX-UHFFFAOYSA-N 1 2 326.371 3.424 10 30 EGEELO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(F)cc2C)c1C#N ZINC000556670643 458985713 /nfs/dbraw/zinc/98/57/13/458985713.db2.gz QPGDPRSHTVPLAX-UHFFFAOYSA-N 1 2 326.371 3.424 10 30 EGEELO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000594615097 459115231 /nfs/dbraw/zinc/11/52/31/459115231.db2.gz RFFFDELAYXGGLY-CQSZACIVSA-N 1 2 336.391 3.014 10 30 EGEELO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000594615097 459115232 /nfs/dbraw/zinc/11/52/32/459115232.db2.gz RFFFDELAYXGGLY-CQSZACIVSA-N 1 2 336.391 3.014 10 30 EGEELO N#CC1(c2ccc(CNc3ccc[nH+]c3N3CCOCC3)cc2)CC1 ZINC000594734873 459144861 /nfs/dbraw/zinc/14/48/61/459144861.db2.gz GEFTWQWOUFRMSD-UHFFFAOYSA-N 1 2 334.423 3.085 10 30 EGEELO N#CC1(c2ccc(C[NH2+]Cc3ncn(-c4ccccc4)n3)cc2)CC1 ZINC000594942916 459186460 /nfs/dbraw/zinc/18/64/60/459186460.db2.gz DLCDIUACNIWNBJ-UHFFFAOYSA-N 1 2 329.407 3.112 10 30 EGEELO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000481510514 459257296 /nfs/dbraw/zinc/25/72/96/459257296.db2.gz MRBAABYFPFNGTR-BBRMVZONSA-N 1 2 339.357 3.330 10 30 EGEELO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000481510514 459257301 /nfs/dbraw/zinc/25/73/01/459257301.db2.gz MRBAABYFPFNGTR-BBRMVZONSA-N 1 2 339.357 3.330 10 30 EGEELO C=CCN(C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C1CC1 ZINC000536800748 459360716 /nfs/dbraw/zinc/36/07/16/459360716.db2.gz IBJVBKUJKYRHTH-CQSZACIVSA-N 1 2 349.425 3.289 10 30 EGEELO C=CCN(C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C1CC1 ZINC000536800748 459360727 /nfs/dbraw/zinc/36/07/27/459360727.db2.gz IBJVBKUJKYRHTH-CQSZACIVSA-N 1 2 349.425 3.289 10 30 EGEELO C=CCOc1ccccc1C[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000539901424 459379070 /nfs/dbraw/zinc/37/90/70/459379070.db2.gz WDOMVUKYHDIKPV-AWEZNQCLSA-N 1 2 328.378 3.320 10 30 EGEELO C=CCOc1ccccc1C[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000539901424 459379076 /nfs/dbraw/zinc/37/90/76/459379076.db2.gz WDOMVUKYHDIKPV-AWEZNQCLSA-N 1 2 328.378 3.320 10 30 EGEELO CC(C)[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1F ZINC000595691054 459399301 /nfs/dbraw/zinc/39/93/01/459399301.db2.gz JURXWSUMXRTIQE-MSOLQXFVSA-N 1 2 325.387 3.211 10 30 EGEELO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000485892829 459477723 /nfs/dbraw/zinc/47/77/23/459477723.db2.gz HORSFCZLAKDSCE-CYBMUJFWSA-N 1 2 340.389 3.292 10 30 EGEELO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000485892829 459477728 /nfs/dbraw/zinc/47/77/28/459477728.db2.gz HORSFCZLAKDSCE-CYBMUJFWSA-N 1 2 340.389 3.292 10 30 EGEELO N#Cc1cnccc1C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000592123677 459528818 /nfs/dbraw/zinc/52/88/18/459528818.db2.gz XXBXAJGRMCGTPK-INIZCTEOSA-N 1 2 336.222 3.473 10 30 EGEELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000562394654 459552406 /nfs/dbraw/zinc/55/24/06/459552406.db2.gz HUWMIUCFPRJQOT-AWEZNQCLSA-N 1 2 346.862 3.032 10 30 EGEELO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000572964553 459603486 /nfs/dbraw/zinc/60/34/86/459603486.db2.gz PAPLHQRVKQLPEB-KUHUBIRLSA-N 1 2 337.379 3.428 10 30 EGEELO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000572964553 459603495 /nfs/dbraw/zinc/60/34/95/459603495.db2.gz PAPLHQRVKQLPEB-KUHUBIRLSA-N 1 2 337.379 3.428 10 30 EGEELO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1C#N ZINC000593115231 459777253 /nfs/dbraw/zinc/77/72/53/459777253.db2.gz ASZWMYMXKJCCEA-QGZVFWFLSA-N 1 2 328.366 3.284 10 30 EGEELO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1C#N ZINC000593115231 459777255 /nfs/dbraw/zinc/77/72/55/459777255.db2.gz ASZWMYMXKJCCEA-QGZVFWFLSA-N 1 2 328.366 3.284 10 30 EGEELO CCCCc1noc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)n1 ZINC000528785510 459814298 /nfs/dbraw/zinc/81/42/98/459814298.db2.gz XZICFWCFYVVFSF-UHFFFAOYSA-N 1 2 340.427 3.079 10 30 EGEELO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1ccc(C#N)s1)CCCC2 ZINC000585792874 459848554 /nfs/dbraw/zinc/84/85/54/459848554.db2.gz SLUGJEKIVCXXAV-OAHLLOKOSA-N 1 2 340.452 3.209 10 30 EGEELO C[C@@H](CC#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000597205406 459876982 /nfs/dbraw/zinc/87/69/82/459876982.db2.gz DXTRAJAHRCBSPV-WFASDCNBSA-N 1 2 337.826 3.109 10 30 EGEELO C[C@@H](CC#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000597205406 459876988 /nfs/dbraw/zinc/87/69/88/459876988.db2.gz DXTRAJAHRCBSPV-WFASDCNBSA-N 1 2 337.826 3.109 10 30 EGEELO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@H](C)CC#N)CC1 ZINC000597301564 459908157 /nfs/dbraw/zinc/90/81/57/459908157.db2.gz MHLVLKVCAZUSEC-DYVFJYSZSA-N 1 2 335.398 3.110 10 30 EGEELO Cn1cc[nH+]c1[C@H](Nc1cc(C#N)nc2ccccc21)c1ccccc1 ZINC000610245409 460094210 /nfs/dbraw/zinc/09/42/10/460094210.db2.gz QKKARESYFHMLEF-HXUWFJFHSA-N 1 2 339.402 3.463 10 30 EGEELO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000589518545 460097956 /nfs/dbraw/zinc/09/79/56/460097956.db2.gz SWVSXSMPQFZQEM-CQSZACIVSA-N 1 2 329.425 3.067 10 30 EGEELO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000589518545 460097961 /nfs/dbraw/zinc/09/79/61/460097961.db2.gz SWVSXSMPQFZQEM-CQSZACIVSA-N 1 2 329.425 3.067 10 30 EGEELO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000598950429 460098966 /nfs/dbraw/zinc/09/89/66/460098966.db2.gz QATRKMBSRZZYJX-OAHLLOKOSA-N 1 2 335.407 3.170 10 30 EGEELO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000598950429 460098972 /nfs/dbraw/zinc/09/89/72/460098972.db2.gz QATRKMBSRZZYJX-OAHLLOKOSA-N 1 2 335.407 3.170 10 30 EGEELO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000610304686 460112568 /nfs/dbraw/zinc/11/25/68/460112568.db2.gz WGUCMLLILFQHKH-GOSISDBHSA-N 1 2 330.391 3.006 10 30 EGEELO N#Cc1ccc(C2(NC(=O)NCCCNc3cccc[nH+]3)CCC2)cc1 ZINC000594216189 460155233 /nfs/dbraw/zinc/15/52/33/460155233.db2.gz NAGXUXKAHSDJHV-UHFFFAOYSA-N 1 2 349.438 3.134 10 30 EGEELO Cc1cc(Br)cn2cc(CNC(=O)CCCCC#N)[nH+]c12 ZINC000594339074 460189993 /nfs/dbraw/zinc/18/99/93/460189993.db2.gz BLOZKWVHLPJVHT-UHFFFAOYSA-N 1 2 349.232 3.105 10 30 EGEELO N#Cc1cccc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1F ZINC000599660386 460302016 /nfs/dbraw/zinc/30/20/16/460302016.db2.gz PQTPUUMZJZKMMH-UHFFFAOYSA-N 1 2 348.425 3.496 10 30 EGEELO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C2 ZINC000599686227 460310319 /nfs/dbraw/zinc/31/03/19/460310319.db2.gz 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C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)CCC1 ZINC001731374132 1427304632 /nfs/dbraw/zinc/30/46/32/1427304632.db2.gz HBZSBDRLGWVTSP-HNNXBMFYSA-N 1 2 334.410 3.402 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)CCC1 ZINC001731374132 1427304642 /nfs/dbraw/zinc/30/46/42/1427304642.db2.gz HBZSBDRLGWVTSP-HNNXBMFYSA-N 1 2 334.410 3.402 10 30 EGEELO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=C)Br ZINC001731538263 1427540271 /nfs/dbraw/zinc/54/02/71/1427540271.db2.gz LGUFMPINRZRGRD-CABCVRRESA-N 1 2 343.309 3.468 10 30 EGEELO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=C)Br ZINC001731538263 1427540266 /nfs/dbraw/zinc/54/02/66/1427540266.db2.gz LGUFMPINRZRGRD-CABCVRRESA-N 1 2 343.309 3.468 10 30 EGEELO C[C@H]1CC[C@H](CC(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001731780962 1427904938 /nfs/dbraw/zinc/90/49/38/1427904938.db2.gz IBSMQMPLIZNFSI-GJZGRUSLSA-N 1 2 331.435 3.072 10 30 EGEELO C[C@H]1CC[C@H](CC(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC001731780962 1427904942 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342.487 3.064 10 30 EGEELO C#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)[C@H]1C ZINC001734452771 1438110220 /nfs/dbraw/zinc/11/02/20/1438110220.db2.gz ICEBASLYEVZZQC-HOCLYGCPSA-N 1 2 333.863 3.008 10 30 EGEELO C#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)[C@H]1C ZINC001734452771 1438110222 /nfs/dbraw/zinc/11/02/22/1438110222.db2.gz ICEBASLYEVZZQC-HOCLYGCPSA-N 1 2 333.863 3.008 10 30 EGEELO C=C[C@@H](CC)CC(=O)NCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001734629824 1438193112 /nfs/dbraw/zinc/19/31/12/1438193112.db2.gz JOIWRLMZGMWFFB-HNNXBMFYSA-N 1 2 331.460 3.088 10 30 EGEELO C=C[C@@H](CC)CC(=O)NCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001734629824 1438193115 /nfs/dbraw/zinc/19/31/15/1438193115.db2.gz JOIWRLMZGMWFFB-HNNXBMFYSA-N 1 2 331.460 3.088 10 30 EGEELO C#CCN(C)c1nnc([C@H](C)CC)n1CCCc1cccc(C)[nH+]1 ZINC001760162757 1441366553 /nfs/dbraw/zinc/36/65/53/1441366553.db2.gz FXGBASGVULCHTQ-OAHLLOKOSA-N 1 2 325.460 3.197 10 30 EGEELO N#Cc1ccsc1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000328653492 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10 30 EGEELO C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000426189118 457784190 /nfs/dbraw/zinc/78/41/90/457784190.db2.gz YFTCTBITSCNJBL-FHLIZLRMSA-N 1 2 349.425 3.460 10 30 EGEELO C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000426189118 457784198 /nfs/dbraw/zinc/78/41/98/457784198.db2.gz YFTCTBITSCNJBL-FHLIZLRMSA-N 1 2 349.425 3.460 10 30 EGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC(CC)CC ZINC000411191949 457825552 /nfs/dbraw/zinc/82/55/52/457825552.db2.gz KWTQPNBWYBQVDH-CQSZACIVSA-N 1 2 333.432 3.276 10 30 EGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC(CC)CC ZINC000411191949 457825554 /nfs/dbraw/zinc/82/55/54/457825554.db2.gz KWTQPNBWYBQVDH-CQSZACIVSA-N 1 2 333.432 3.276 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1F ZINC000444695291 457943336 /nfs/dbraw/zinc/94/33/36/457943336.db2.gz LUABDBMCSIXUSD-SJCJKPOMSA-N 1 2 339.842 3.354 10 30 EGEELO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000444695291 457943341 /nfs/dbraw/zinc/94/33/41/457943341.db2.gz LUABDBMCSIXUSD-SJCJKPOMSA-N 1 2 339.842 3.354 10 30 EGEELO Cc1cc(C)cc(C[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000444695921 457944630 /nfs/dbraw/zinc/94/46/30/457944630.db2.gz NDYWVBHNTKMVEX-UHFFFAOYSA-N 1 2 342.464 3.081 10 30 EGEELO Cc1cc(C)cc(C[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000444695921 457944634 /nfs/dbraw/zinc/94/46/34/457944634.db2.gz NDYWVBHNTKMVEX-UHFFFAOYSA-N 1 2 342.464 3.081 10 30 EGEELO Cn1ccc([C@H]([NH2+]Cc2cc(C#N)cs2)c2ccc(F)cc2)n1 ZINC000358494294 458037797 /nfs/dbraw/zinc/03/77/97/458037797.db2.gz BYRZVVVCTPMOLT-QGZVFWFLSA-N 1 2 326.400 3.372 10 30 EGEELO CC(C)(C#N)CCCS(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445546510 458061745 /nfs/dbraw/zinc/06/17/45/458061745.db2.gz DTNRNWYVPKGNTG-UHFFFAOYSA-N 1 2 345.468 3.176 10 30 EGEELO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000429176280 458286667 /nfs/dbraw/zinc/28/66/67/458286667.db2.gz NHKPLPVDNAXTSO-AWEZNQCLSA-N 1 2 340.370 3.179 10 30 EGEELO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000429176280 458286672 /nfs/dbraw/zinc/28/66/72/458286672.db2.gz NHKPLPVDNAXTSO-AWEZNQCLSA-N 1 2 340.370 3.179 10 30 EGEELO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000413842839 458311087 /nfs/dbraw/zinc/31/10/87/458311087.db2.gz YOKSKVREWFDJOK-SFHVURJKSA-N 1 2 338.455 3.486 10 30 EGEELO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000413842839 458311092 /nfs/dbraw/zinc/31/10/92/458311092.db2.gz YOKSKVREWFDJOK-SFHVURJKSA-N 1 2 338.455 3.486 10 30 EGEELO C[N@H+](CCCOc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459295331 458318801 /nfs/dbraw/zinc/31/88/01/458318801.db2.gz PRVFLCIRZDOCHF-UHFFFAOYSA-N 1 2 325.368 3.367 10 30 EGEELO C[N@@H+](CCCOc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459295331 458318807 /nfs/dbraw/zinc/31/88/07/458318807.db2.gz PRVFLCIRZDOCHF-UHFFFAOYSA-N 1 2 325.368 3.367 10 30 EGEELO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459432875 458368622 /nfs/dbraw/zinc/36/86/22/458368622.db2.gz NBGUUNWSBCBOJK-QGZVFWFLSA-N 1 2 339.395 3.156 10 30 EGEELO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459432875 458368627 /nfs/dbraw/zinc/36/86/27/458368627.db2.gz NBGUUNWSBCBOJK-QGZVFWFLSA-N 1 2 339.395 3.156 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)C2 ZINC000373133263 458406167 /nfs/dbraw/zinc/40/61/67/458406167.db2.gz ZQALFDNVMTXWKD-XJKSGUPXSA-N 1 2 328.460 3.179 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)CC2 ZINC000373133263 458406171 /nfs/dbraw/zinc/40/61/71/458406171.db2.gz ZQALFDNVMTXWKD-XJKSGUPXSA-N 1 2 328.460 3.179 10 30 EGEELO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000451861569 458489863 /nfs/dbraw/zinc/48/98/63/458489863.db2.gz AQESSUXIFKCOHW-GFCCVEGCSA-N 1 2 329.341 3.013 10 30 EGEELO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000451861569 458489865 /nfs/dbraw/zinc/48/98/65/458489865.db2.gz AQESSUXIFKCOHW-GFCCVEGCSA-N 1 2 329.341 3.013 10 30 EGEELO Cc1ccccc1[C@]1(F)CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000502892911 458677762 /nfs/dbraw/zinc/67/77/62/458677762.db2.gz NRSJRGNTDIKYSB-AHRSYUTCSA-N 1 2 345.462 3.309 10 30 EGEELO Cc1ccccc1[C@]1(F)CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000502892911 458677772 /nfs/dbraw/zinc/67/77/72/458677772.db2.gz NRSJRGNTDIKYSB-AHRSYUTCSA-N 1 2 345.462 3.309 10 30 EGEELO C=C(C)C[C@H](C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000464516808 458757363 /nfs/dbraw/zinc/75/73/63/458757363.db2.gz CEVHIAGCKIBHBI-HKUYNNGSSA-N 1 2 330.472 3.087 10 30 EGEELO CC1CCN(c2ccc(CNC(=O)Cc3cccc(C#N)c3)c[nH+]2)CC1 ZINC000531145774 458878872 /nfs/dbraw/zinc/87/88/72/458878872.db2.gz KJQSPLFOAUHUPA-UHFFFAOYSA-N 1 2 348.450 3.048 10 30 EGEELO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000441452080 458946954 /nfs/dbraw/zinc/94/69/54/458946954.db2.gz VOLXSXWIQQGUDY-ICSRJNTNSA-N 1 2 344.499 3.490 10 30 EGEELO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000441452080 458946960 /nfs/dbraw/zinc/94/69/60/458946960.db2.gz VOLXSXWIQQGUDY-ICSRJNTNSA-N 1 2 344.499 3.490 10 30 EGEELO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000566837949 459007766 /nfs/dbraw/zinc/00/77/66/459007766.db2.gz QGPBLKSIDICFGI-INIZCTEOSA-N 1 2 331.847 3.429 10 30 EGEELO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000566837949 459007774 /nfs/dbraw/zinc/00/77/74/459007774.db2.gz QGPBLKSIDICFGI-INIZCTEOSA-N 1 2 331.847 3.429 10 30 EGEELO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000595091180 459241488 /nfs/dbraw/zinc/24/14/88/459241488.db2.gz NBVSUYZQRNLWRP-INIZCTEOSA-N 1 2 334.485 3.221 10 30 EGEELO N#CC1(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCCCC1 ZINC000595460022 459309295 /nfs/dbraw/zinc/30/92/95/459309295.db2.gz OJINNNGVLSGLMB-UHFFFAOYSA-N 1 2 345.834 3.261 10 30 EGEELO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000595620404 459371627 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COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1C#N ZINC000595890483 459476290 /nfs/dbraw/zinc/47/62/90/459476290.db2.gz MRNOIPHNDPYEFP-FZMZJTMJSA-N 1 2 328.334 3.109 10 30 EGEELO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1C#N ZINC000595890483 459476297 /nfs/dbraw/zinc/47/62/97/459476297.db2.gz MRNOIPHNDPYEFP-FZMZJTMJSA-N 1 2 328.334 3.109 10 30 EGEELO CCN(CC)c1ccc(CNc2nc3ncccc3cc2C#N)c[nH+]1 ZINC000596077158 459510829 /nfs/dbraw/zinc/51/08/29/459510829.db2.gz LHSZPBLUCZTOMM-UHFFFAOYSA-N 1 2 332.411 3.355 10 30 EGEELO COc1c(C)c[nH+]c(CN(C)c2cc(C)c([N+](=O)[O-])c(C#N)c2)c1C ZINC000596118002 459528204 /nfs/dbraw/zinc/52/82/04/459528204.db2.gz LVQZGXFTTYNPKP-UHFFFAOYSA-N 1 2 340.383 3.432 10 30 EGEELO COc1ccccc1C1([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000592143121 459535916 /nfs/dbraw/zinc/53/59/16/459535916.db2.gz QJPZZGJTRDAOFD-UHFFFAOYSA-N 1 2 346.390 3.396 10 30 EGEELO Cc1cccc2[nH+]c(CNC(=O)NC(C)(C)c3cccc(C#N)c3)cn21 ZINC000596290629 459587106 /nfs/dbraw/zinc/58/71/06/459587106.db2.gz PZYUJFAIAXOZGO-UHFFFAOYSA-N 1 2 347.422 3.249 10 30 EGEELO N#Cc1cc(NCc2ccc[nH+]c2N2CCCC2)nc2ccccc12 ZINC000596357669 459607007 /nfs/dbraw/zinc/60/70/07/459607007.db2.gz PLINGTIGJNZRRT-UHFFFAOYSA-N 1 2 329.407 3.136 10 30 EGEELO C[C@@H](CC#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000596796548 459764517 /nfs/dbraw/zinc/76/45/17/459764517.db2.gz KLBUBTJTMULQKO-WFASDCNBSA-N 1 2 337.826 3.282 10 30 EGEELO CSc1ccc(OC[C@@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593126320 459781190 /nfs/dbraw/zinc/78/11/90/459781190.db2.gz SXAMPIIOECHVLK-INIZCTEOSA-N 1 2 340.448 3.036 10 30 EGEELO CSc1ccc(OC[C@@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593126320 459781195 /nfs/dbraw/zinc/78/11/95/459781195.db2.gz SXAMPIIOECHVLK-INIZCTEOSA-N 1 2 340.448 3.036 10 30 EGEELO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596986550 459811737 /nfs/dbraw/zinc/81/17/37/459811737.db2.gz VTHRFJBUBZUYGW-HXUWFJFHSA-N 1 2 346.430 3.342 10 30 EGEELO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596986550 459811740 /nfs/dbraw/zinc/81/17/40/459811740.db2.gz VTHRFJBUBZUYGW-HXUWFJFHSA-N 1 2 346.430 3.342 10 30 EGEELO CCOc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566300523 459838752 /nfs/dbraw/zinc/83/87/52/459838752.db2.gz GXAUDGUCGVXIHM-UHFFFAOYSA-N 1 2 325.368 3.497 10 30 EGEELO CCOc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566300523 459838754 /nfs/dbraw/zinc/83/87/54/459838754.db2.gz GXAUDGUCGVXIHM-UHFFFAOYSA-N 1 2 325.368 3.497 10 30 EGEELO C[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1cccc(C#N)c1 ZINC000602109619 459844638 /nfs/dbraw/zinc/84/46/38/459844638.db2.gz UCUSKGGTSKPGKO-BXUZGUMPSA-N 1 2 336.317 3.126 10 30 EGEELO COc1cc(CNc2cc(CC#N)cc[nH+]2)c(SC)cc1OC ZINC000545930037 459874394 /nfs/dbraw/zinc/87/43/94/459874394.db2.gz WISVQUAACVGHQE-UHFFFAOYSA-N 1 2 329.425 3.499 10 30 EGEELO Cc1nn(-c2ccccc2Br)cc1C[NH+]1CC(CC#N)C1 ZINC000597203529 459875759 /nfs/dbraw/zinc/87/57/59/459875759.db2.gz JQCNRGIYSLBUEG-UHFFFAOYSA-N 1 2 345.244 3.289 10 30 EGEELO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC1(C#N)CCCC1 ZINC000593431010 459887586 /nfs/dbraw/zinc/88/75/86/459887586.db2.gz FRTOJFLUIINNKT-OAHLLOKOSA-N 1 2 329.448 3.224 10 30 EGEELO CSc1nc(C2CC2)cc(C(=O)Nc2ccc3[nH+]ccn3c2)c1C#N ZINC000609623072 459996656 /nfs/dbraw/zinc/99/66/56/459996656.db2.gz IYXRIJXQVFXROU-UHFFFAOYSA-N 1 2 349.419 3.453 10 30 EGEELO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cc(O)cc(C#N)c2)cc1 ZINC000589188062 460049315 /nfs/dbraw/zinc/04/93/15/460049315.db2.gz LFKCEBRUXCQEJM-ZDUSSCGKSA-N 1 2 346.390 3.249 10 30 EGEELO CCN(CC)c1ccc(CNC(=O)N2Cc3ccc(C#N)cc3C2)c[nH+]1 ZINC000594216837 460155435 /nfs/dbraw/zinc/15/54/35/460155435.db2.gz YWEUUSGQIOYOFP-UHFFFAOYSA-N 1 2 349.438 3.025 10 30 EGEELO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C#N ZINC000599248979 460204722 /nfs/dbraw/zinc/20/47/22/460204722.db2.gz PXIZQJGPNPQAFS-HNNXBMFYSA-N 1 2 342.464 3.463 10 30 EGEELO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C#N ZINC000599248979 460204726 /nfs/dbraw/zinc/20/47/26/460204726.db2.gz PXIZQJGPNPQAFS-HNNXBMFYSA-N 1 2 342.464 3.463 10 30 EGEELO C=CCCC[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000625667228 460233309 /nfs/dbraw/zinc/23/33/09/460233309.db2.gz XPERMAKKHNBVHZ-QAPCUYQASA-N 1 2 337.485 3.208 10 30 EGEELO C=CCCC[C@@H](C)[N@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000625667228 460233313 /nfs/dbraw/zinc/23/33/13/460233313.db2.gz XPERMAKKHNBVHZ-QAPCUYQASA-N 1 2 337.485 3.208 10 30 EGEELO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1C#N ZINC000599366399 460239691 /nfs/dbraw/zinc/23/96/91/460239691.db2.gz PIUNYXMURFRALU-NRFANRHFSA-N 1 2 348.425 3.388 10 30 EGEELO C=CC[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000625704590 460239909 /nfs/dbraw/zinc/23/99/09/460239909.db2.gz YSSKPLOQKIYWON-CQSZACIVSA-N 1 2 346.452 3.143 10 30 EGEELO C=CC[C@@H]1CC[N@H+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000625704590 460239913 /nfs/dbraw/zinc/23/99/13/460239913.db2.gz 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Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1ccc(CC#N)cc1)CCCC2 ZINC000284673182 455724249 /nfs/dbraw/zinc/72/42/49/455724249.db2.gz RAHIPLSATPOQAI-LJQANCHMSA-N 1 2 348.450 3.342 10 30 EGEELO C=CCN(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249286184 455747947 /nfs/dbraw/zinc/74/79/47/455747947.db2.gz SLDUJSALHWICQK-HZPDHXFCSA-N 1 2 339.842 3.442 10 30 EGEELO C=CCN(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249286184 455747950 /nfs/dbraw/zinc/74/79/50/455747950.db2.gz SLDUJSALHWICQK-HZPDHXFCSA-N 1 2 339.842 3.442 10 30 EGEELO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000253395484 455839266 /nfs/dbraw/zinc/83/92/66/455839266.db2.gz ULRPXODJRUSOOH-QAPCUYQASA-N 1 2 344.361 3.153 10 30 EGEELO COc1ccc(C#N)cc1C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000253395484 455839269 /nfs/dbraw/zinc/83/92/69/455839269.db2.gz ULRPXODJRUSOOH-QAPCUYQASA-N 1 2 344.361 3.153 10 30 EGEELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1(c3ccc(C#N)cc3)CC1)C2 ZINC000186885118 455846504 /nfs/dbraw/zinc/84/65/04/455846504.db2.gz SYQYKMIMFAMQRF-UHFFFAOYSA-N 1 2 348.450 3.032 10 30 EGEELO NC(=[NH+]OCc1ncc(C2CC2)o1)c1cccc(C(F)(F)F)c1 ZINC000270433605 455953931 /nfs/dbraw/zinc/95/39/31/455953931.db2.gz FLZHBLFGVNVKKZ-UHFFFAOYSA-N 1 2 325.290 3.408 10 30 EGEELO CC1(C#N)CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000272522379 455981669 /nfs/dbraw/zinc/98/16/69/455981669.db2.gz HNUWRCQJCHZUNK-INIZCTEOSA-N 1 2 331.847 3.461 10 30 EGEELO CCCC[C@@H](ON=C(C)C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000272738129 456056570 /nfs/dbraw/zinc/05/65/70/456056570.db2.gz LOOAQWJHLQAHJB-QGZVFWFLSA-N 1 2 346.475 3.269 10 30 EGEELO N#Cc1cc(Br)ccc1NCc1cn2c([nH+]1)CCCC2 ZINC000272807029 456075792 /nfs/dbraw/zinc/07/57/92/456075792.db2.gz FWHQKNSKWXYZHV-UHFFFAOYSA-N 1 2 331.217 3.466 10 30 EGEELO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000288075827 456085906 /nfs/dbraw/zinc/08/59/06/456085906.db2.gz GSTXZUGJDDZMCV-ROUUACIJSA-N 1 2 336.439 3.281 10 30 EGEELO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000281308447 456196455 /nfs/dbraw/zinc/19/64/55/456196455.db2.gz HWUOLGMJMIWWNG-QGZVFWFLSA-N 1 2 348.410 3.069 10 30 EGEELO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000281308447 456196460 /nfs/dbraw/zinc/19/64/60/456196460.db2.gz HWUOLGMJMIWWNG-QGZVFWFLSA-N 1 2 348.410 3.069 10 30 EGEELO N#Cc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccc1F ZINC000340238886 456333012 /nfs/dbraw/zinc/33/30/12/456333012.db2.gz WMMOKRTUZVKGOQ-KBXCAEBGSA-N 1 2 332.325 3.283 10 30 EGEELO N#Cc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccc1F ZINC000340238886 456333016 /nfs/dbraw/zinc/33/30/16/456333016.db2.gz WMMOKRTUZVKGOQ-KBXCAEBGSA-N 1 2 332.325 3.283 10 30 EGEELO N#Cc1csc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)n1 ZINC000352822276 456338672 /nfs/dbraw/zinc/33/86/72/456338672.db2.gz JLQGXFLUHHIXHU-UHFFFAOYSA-N 1 2 340.452 3.433 10 30 EGEELO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2Cc2cc(F)ccc2C#N)c1 ZINC000282434647 456512713 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KDBOIMLABPSUDD-DIOULYMOSA-N 1 2 337.370 3.033 10 30 EGEELO COc1cc(C[NH2+][C@H](C)c2nnn(-c3ccccc3)c2C)ccc1C#N ZINC000353649753 456829860 /nfs/dbraw/zinc/82/98/60/456829860.db2.gz OMLQUZNWGYVYAJ-CQSZACIVSA-N 1 2 347.422 3.307 10 30 EGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1Cc3ccccc3C1)C2 ZINC000329186546 456850049 /nfs/dbraw/zinc/85/00/49/456850049.db2.gz ASWIPVNDJZTSEN-INIZCTEOSA-N 1 2 338.455 3.425 10 30 EGEELO C=CCOc1ccccc1C[N@H+](CCNC(C)=O)Cc1ccsc1 ZINC000338953107 456873099 /nfs/dbraw/zinc/87/30/99/456873099.db2.gz QEPFQGKWAQOQMR-UHFFFAOYSA-N 1 2 344.480 3.451 10 30 EGEELO C=CCOc1ccccc1C[N@@H+](CCNC(C)=O)Cc1ccsc1 ZINC000338953107 456873104 /nfs/dbraw/zinc/87/31/04/456873104.db2.gz QEPFQGKWAQOQMR-UHFFFAOYSA-N 1 2 344.480 3.451 10 30 EGEELO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@@H]1CCc2cc(Cl)ccc21 ZINC000329649843 456921620 /nfs/dbraw/zinc/92/16/20/456921620.db2.gz FLMOJNZPWNJQTR-TZMCWYRMSA-N 1 2 330.819 3.112 10 30 EGEELO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@@H]1CCc2cc(Cl)ccc21 ZINC000329649843 456921625 /nfs/dbraw/zinc/92/16/25/456921625.db2.gz FLMOJNZPWNJQTR-TZMCWYRMSA-N 1 2 330.819 3.112 10 30 EGEELO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC2CC(C(F)(F)F)C2)C1 ZINC000329691459 456928266 /nfs/dbraw/zinc/92/82/66/456928266.db2.gz BXJLJMYLTIIYET-WXRRBKDZSA-N 1 2 344.381 3.337 10 30 EGEELO N#CCCOCC[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000339094756 456938003 /nfs/dbraw/zinc/93/80/03/456938003.db2.gz OLLVTLRFABRHMK-UHFFFAOYSA-N 1 2 343.652 3.391 10 30 EGEELO N#CCCOCC[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000339094756 456938006 /nfs/dbraw/zinc/93/80/06/456938006.db2.gz OLLVTLRFABRHMK-UHFFFAOYSA-N 1 2 343.652 3.391 10 30 EGEELO [O-]C(=[NH+][C@@H]1CCc2ccccc2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329910866 456959122 /nfs/dbraw/zinc/95/91/22/456959122.db2.gz WCNCWRHRULWVJY-IEBWSBKVSA-N 1 2 337.423 3.006 10 30 EGEELO O=C(N[C@@H]1CCc2ccccc2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329910866 456959128 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N#Cc1csc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000356121655 457464437 /nfs/dbraw/zinc/46/44/37/457464437.db2.gz GHBFMANBURPZOL-KRWDZBQOSA-N 1 2 327.453 3.238 10 30 EGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1nccs1 ZINC000411194878 457827247 /nfs/dbraw/zinc/82/72/47/457827247.db2.gz RCYSBRMCQJAWEA-GFCCVEGCSA-N 1 2 346.412 3.067 10 30 EGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1nccs1 ZINC000411194878 457827249 /nfs/dbraw/zinc/82/72/49/457827249.db2.gz RCYSBRMCQJAWEA-GFCCVEGCSA-N 1 2 346.412 3.067 10 30 EGEELO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411439968 457888336 /nfs/dbraw/zinc/88/83/36/457888336.db2.gz GKSLLSIWSVEFDR-QGZVFWFLSA-N 1 2 330.476 3.274 10 30 EGEELO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411439968 457888342 /nfs/dbraw/zinc/88/83/42/457888342.db2.gz GKSLLSIWSVEFDR-QGZVFWFLSA-N 1 2 330.476 3.274 10 30 EGEELO C=CCCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000366742131 457894439 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/nfs/dbraw/zinc/09/38/24/1393093824.db2.gz WKTBVZXTRXJJBC-DZGCQCFKSA-N 1 2 342.817 3.259 10 30 EGEELO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccn(C(C)C)n2)CCC1 ZINC001481056556 1393108297 /nfs/dbraw/zinc/10/82/97/1393108297.db2.gz KSEBORNYEZVLLJ-SFHVURJKSA-N 1 2 344.503 3.291 10 30 EGEELO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccn(C(C)C)n2)CCC1 ZINC001481056556 1393108298 /nfs/dbraw/zinc/10/82/98/1393108298.db2.gz KSEBORNYEZVLLJ-SFHVURJKSA-N 1 2 344.503 3.291 10 30 EGEELO C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1sccc1Cl ZINC001481378591 1394218771 /nfs/dbraw/zinc/21/87/71/1394218771.db2.gz HBUHHSCSCLSOHH-OKILXGFUSA-N 1 2 336.888 3.380 10 30 EGEELO C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1sccc1Cl ZINC001481378591 1394218779 /nfs/dbraw/zinc/21/87/79/1394218779.db2.gz HBUHHSCSCLSOHH-OKILXGFUSA-N 1 2 336.888 3.380 10 30 EGEELO CCC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)C(C)C ZINC001490563583 1394264671 /nfs/dbraw/zinc/26/46/71/1394264671.db2.gz RVKYOXOLLNRGJB-RBUKOAKNSA-N 1 2 327.472 3.321 10 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1394462222 /nfs/dbraw/zinc/46/22/22/1394462222.db2.gz MBBRSVQLPZGRGR-VQIMIIECSA-N 1 2 349.425 3.306 10 30 EGEELO CCCC[C@@](C)(F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001481703093 1394462224 /nfs/dbraw/zinc/46/22/24/1394462224.db2.gz MBBRSVQLPZGRGR-VQIMIIECSA-N 1 2 349.425 3.306 10 30 EGEELO CC[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001481712887 1394469939 /nfs/dbraw/zinc/46/99/39/1394469939.db2.gz IEIZCYSUIOIKEZ-WBVHZDCISA-N 1 2 332.875 3.270 10 30 EGEELO CC[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001481712887 1394469941 /nfs/dbraw/zinc/46/99/41/1394469941.db2.gz IEIZCYSUIOIKEZ-WBVHZDCISA-N 1 2 332.875 3.270 10 30 EGEELO CC(C)C#CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC001481725491 1394476685 /nfs/dbraw/zinc/47/66/85/1394476685.db2.gz ANBVERTULOHKDL-HUUCEWRRSA-N 1 2 334.410 3.218 10 30 EGEELO CC(C)C#CC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC001481725491 1394476689 /nfs/dbraw/zinc/47/66/89/1394476689.db2.gz ANBVERTULOHKDL-HUUCEWRRSA-N 1 2 334.410 3.218 10 30 EGEELO C=CCCO[C@@H](C)C(=O)N(C)C1C[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC001483855831 1395117857 /nfs/dbraw/zinc/11/78/57/1395117857.db2.gz KAZOKAYVWRDYNL-HNAYVOBHSA-N 1 2 348.462 3.401 10 30 EGEELO C=C(C)[C@@H](CC(=O)N(C)C1C[NH+]([C@H](C)c2cccc(F)c2)C1)OCC ZINC001483866003 1395120547 /nfs/dbraw/zinc/12/05/47/1395120547.db2.gz KAJMKYVDLXQQQO-DNVCBOLYSA-N 1 2 348.462 3.401 10 30 EGEELO C=C[C@H](CC)CC(=O)N(C)C1C[NH+](Cc2cccc(COC)c2)C1 ZINC001483878175 1395125324 /nfs/dbraw/zinc/12/53/24/1395125324.db2.gz OGLRHJHWMZTLSJ-MRXNPFEDSA-N 1 2 330.472 3.078 10 30 EGEELO C=CCCC(=O)NC1(C)CC[NH+]([C@@H](C)c2nnc(CC(C)C)o2)CC1 ZINC001483962548 1395164345 /nfs/dbraw/zinc/16/43/45/1395164345.db2.gz QDSIPTROOMFOKC-HNNXBMFYSA-N 1 2 348.491 3.266 10 30 EGEELO C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)c1cnn(CC)c1 ZINC001484555340 1395434591 /nfs/dbraw/zinc/43/45/91/1395434591.db2.gz KVHAGXFSVRWNDX-UHFFFAOYSA-N 1 2 346.862 3.017 10 30 EGEELO 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C#CCCCCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)c1nc(C(C)C)no1 ZINC001713505322 1418226787 /nfs/dbraw/zinc/22/67/87/1418226787.db2.gz ZJVPIFJYZCFZPJ-HZPDHXFCSA-N 1 2 346.475 3.028 10 30 EGEELO C#CCC1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ncc(C)o2)CCCCC1 ZINC001713519844 1418260567 /nfs/dbraw/zinc/26/05/67/1418260567.db2.gz IYYRVMMFLJVQPF-KRWDZBQOSA-N 1 2 343.471 3.037 10 30 EGEELO C#CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ncc(C)o2)CCCCC1 ZINC001713519844 1418260569 /nfs/dbraw/zinc/26/05/69/1418260569.db2.gz IYYRVMMFLJVQPF-KRWDZBQOSA-N 1 2 343.471 3.037 10 30 EGEELO CC(C)[C@H]1C[C@@H]1C(=O)NCC[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001713564085 1418369886 /nfs/dbraw/zinc/36/98/86/1418369886.db2.gz KMFCNGNYDZCMRG-MOPGFXCFSA-N 1 2 343.446 3.070 10 30 EGEELO CC(C)[C@H]1C[C@@H]1C(=O)NCC[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001713564085 1418369889 /nfs/dbraw/zinc/36/98/89/1418369889.db2.gz KMFCNGNYDZCMRG-MOPGFXCFSA-N 1 2 343.446 3.070 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccnn3C)C2)CCCCC1 ZINC001713794298 1418614003 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ZINC001714477295 1419200447 /nfs/dbraw/zinc/20/04/47/1419200447.db2.gz BLPUUXOSADXDRT-FXAWDEMLSA-N 1 2 344.499 3.136 10 30 EGEELO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[C@H](C)c2ccc(CC)cc2)C1 ZINC001714477295 1419200450 /nfs/dbraw/zinc/20/04/50/1419200450.db2.gz BLPUUXOSADXDRT-FXAWDEMLSA-N 1 2 344.499 3.136 10 30 EGEELO C=CC(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001714485434 1419208576 /nfs/dbraw/zinc/20/85/76/1419208576.db2.gz SEMBMLDDHPBGPU-CQSZACIVSA-N 1 2 348.491 3.314 10 30 EGEELO C[C@@H]1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001714558654 1419286426 /nfs/dbraw/zinc/28/64/26/1419286426.db2.gz SFPDJZLMHNXGEQ-PBHICJAKSA-N 1 2 331.435 3.072 10 30 EGEELO C[C@@H]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001714558654 1419286431 /nfs/dbraw/zinc/28/64/31/1419286431.db2.gz SFPDJZLMHNXGEQ-PBHICJAKSA-N 1 2 331.435 3.072 10 30 EGEELO C#CCCCC(=O)NCC[N@@H+](CC)Cc1nsc2ccccc12 ZINC001714580675 1419319670 /nfs/dbraw/zinc/31/96/70/1419319670.db2.gz MOACPKJIXOUYPN-UHFFFAOYSA-N 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KORZFKFIQLTJPY-UHFFFAOYSA-N 1 2 340.452 3.331 10 30 EGEELO C=CCCCCCNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000582555776 459385369 /nfs/dbraw/zinc/38/53/69/459385369.db2.gz QSJXVTWNLNKZGO-UHFFFAOYSA-N 1 2 332.370 3.333 10 30 EGEELO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1cc(F)c(F)c(F)c1 ZINC000181013651 455276236 /nfs/dbraw/zinc/27/62/36/455276236.db2.gz VVGHEDIYLJNZBG-UHFFFAOYSA-N 1 2 330.313 3.255 10 30 EGEELO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1cc(F)c(F)c(F)c1 ZINC000181013651 455276242 /nfs/dbraw/zinc/27/62/42/455276242.db2.gz VVGHEDIYLJNZBG-UHFFFAOYSA-N 1 2 330.313 3.255 10 30 EGEELO C/C(=C\C(=O)C(F)(F)F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013148190 453450096 /nfs/dbraw/zinc/45/00/96/453450096.db2.gz FSVGCHFQYVPIGZ-PLPBUEGTSA-N 1 2 338.373 3.353 10 30 EGEELO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1OC ZINC000623563178 460613906 /nfs/dbraw/zinc/61/39/06/460613906.db2.gz QKMUYNNCWKUASL-BXUZGUMPSA-N 1 2 348.834 3.301 10 30 EGEELO COc1cccc(C(N)=[NH+]OCc2sc(C)nc2C(F)(F)F)c1 ZINC000184204714 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ZINC000153139296 454763608 /nfs/dbraw/zinc/76/36/08/454763608.db2.gz LECWKNUEBQKJFG-UHFFFAOYSA-N 1 2 332.363 3.277 10 30 EGEELO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482091 454956540 /nfs/dbraw/zinc/95/65/40/454956540.db2.gz XZLGHGKVQCEHAI-MRXNPFEDSA-N 1 2 343.818 3.100 10 30 EGEELO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482091 454956544 /nfs/dbraw/zinc/95/65/44/454956544.db2.gz XZLGHGKVQCEHAI-MRXNPFEDSA-N 1 2 343.818 3.100 10 30 EGEELO CC[N@H+](CCC#N)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000292791547 455758483 /nfs/dbraw/zinc/75/84/83/455758483.db2.gz LMSDZXHLUIUZDH-CQSZACIVSA-N 1 2 329.213 3.031 10 30 EGEELO CC[N@@H+](CCC#N)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000292791547 455758488 /nfs/dbraw/zinc/75/84/88/455758488.db2.gz LMSDZXHLUIUZDH-CQSZACIVSA-N 1 2 329.213 3.031 10 30 EGEELO CC1(C#N)CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000272511012 455976345 /nfs/dbraw/zinc/97/63/45/455976345.db2.gz GFRSEPIMOZUBGO-UHFFFAOYSA-N 1 2 344.846 3.212 10 30 EGEELO Cc1cc(-n2c(C)cc(C(=O)C[NH+]3CCC(C)(C#N)CC3)c2C)no1 ZINC000272608457 456012748 /nfs/dbraw/zinc/01/27/48/456012748.db2.gz RZMNTMGFWLLNRM-UHFFFAOYSA-N 1 2 340.427 3.199 10 30 EGEELO CC(=O)c1ccc(C#N)cc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000302111345 456290111 /nfs/dbraw/zinc/29/01/11/456290111.db2.gz POOJFOPHJLLUPT-UHFFFAOYSA-N 1 2 337.398 3.222 10 30 EGEELO CC(C)(C)C1=CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000340191758 456303391 /nfs/dbraw/zinc/30/33/91/456303391.db2.gz WUKRYYSWXWZLAU-UHFFFAOYSA-N 1 2 332.469 3.010 10 30 EGEELO CC(C)(C)C1=CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000340191758 456303395 /nfs/dbraw/zinc/30/33/95/456303395.db2.gz WUKRYYSWXWZLAU-UHFFFAOYSA-N 1 2 332.469 3.010 10 30 EGEELO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000340236427 456331847 /nfs/dbraw/zinc/33/18/47/456331847.db2.gz KFLCFZBIQLPEAQ-YJBOKZPZSA-N 1 2 344.361 3.153 10 30 EGEELO COc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000340236427 456331851 /nfs/dbraw/zinc/33/18/51/456331851.db2.gz KFLCFZBIQLPEAQ-YJBOKZPZSA-N 1 2 344.361 3.153 10 30 EGEELO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352840280 456355116 /nfs/dbraw/zinc/35/51/16/456355116.db2.gz MYHDFFRRYYRUQD-LBPRGKRZSA-N 1 2 328.441 3.289 10 30 EGEELO COC(=O)[C@H](CNc1cc(C)[nH+]c(C)c1C#N)c1ccc(F)cc1 ZINC000302826441 456411639 /nfs/dbraw/zinc/41/16/39/456411639.db2.gz HIEVYUJTICIIDI-MRXNPFEDSA-N 1 2 327.359 3.078 10 30 EGEELO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(C#N)c1C ZINC000348246583 456566974 /nfs/dbraw/zinc/56/69/74/456566974.db2.gz REDKOWIWVGRPDI-SKDRFNHKSA-N 1 2 345.390 3.448 10 30 EGEELO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(C#N)c1C ZINC000348246583 456566982 /nfs/dbraw/zinc/56/69/82/456566982.db2.gz REDKOWIWVGRPDI-SKDRFNHKSA-N 1 2 345.390 3.448 10 30 EGEELO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328687924 456736449 /nfs/dbraw/zinc/73/64/49/456736449.db2.gz HIWDWWIGLLHFCF-CHWSQXEVSA-N 1 2 334.370 3.475 10 30 EGEELO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328687924 456736453 /nfs/dbraw/zinc/73/64/53/456736453.db2.gz HIWDWWIGLLHFCF-CHWSQXEVSA-N 1 2 334.370 3.475 10 30 EGEELO Cc1cc(C)c(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c(=O)[nH]1 ZINC000328916405 456791324 /nfs/dbraw/zinc/79/13/24/456791324.db2.gz RFMMYMYCABHRCG-CYBMUJFWSA-N 1 2 342.443 3.218 10 30 EGEELO Cc1cn2cc(NC(=O)C3CCC4(CC3)NC(=O)NC4=O)ccc2[nH+]1 ZINC000329225211 456856773 /nfs/dbraw/zinc/85/67/73/456856773.db2.gz CYRHQFKRBWUTOJ-UHFFFAOYSA-N 1 2 341.371 3.044 10 30 EGEELO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000349236370 456918772 /nfs/dbraw/zinc/91/87/72/456918772.db2.gz GWKPIHDCRNKTCB-KXBFYZLASA-N 1 2 341.455 3.166 10 30 EGEELO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000349236370 456918776 /nfs/dbraw/zinc/91/87/76/456918776.db2.gz GWKPIHDCRNKTCB-KXBFYZLASA-N 1 2 341.455 3.166 10 30 EGEELO C=CCc1cc(CNc2[nH]c3cc(F)ccc3[nH+]2)cc(OC)c1O ZINC000362628421 457013612 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C=C1CCC(C(=O)NCCC[N@H+](C)Cc2nnc(C(C)(C)C)o2)CC1 ZINC001316846092 1384634695 /nfs/dbraw/zinc/63/46/95/1384634695.db2.gz BLWRJEQAYYVCRP-UHFFFAOYSA-N 1 2 348.491 3.052 10 30 EGEELO C=CCC(CC=C)C(=O)N(C)C1CC[NH+](Cc2ccn(CC)n2)CC1 ZINC001316930768 1384700987 /nfs/dbraw/zinc/70/09/87/1384700987.db2.gz LKJVLBKDTMDPBX-UHFFFAOYSA-N 1 2 344.503 3.094 10 30 EGEELO C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1Cl ZINC001317169412 1384935261 /nfs/dbraw/zinc/93/52/61/1384935261.db2.gz IEDWQGZEQLVYIM-CHWSQXEVSA-N 1 2 337.826 3.109 10 30 EGEELO C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1Cl ZINC001317169412 1384935262 /nfs/dbraw/zinc/93/52/62/1384935262.db2.gz IEDWQGZEQLVYIM-CHWSQXEVSA-N 1 2 337.826 3.109 10 30 EGEELO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)COC1CCC(C)CC1 ZINC001317175723 1384946917 /nfs/dbraw/zinc/94/69/17/1384946917.db2.gz CIOAAKUHXYSWHS-ARWYELJZSA-N 1 2 342.911 3.305 10 30 EGEELO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)COC1CCC(C)CC1 ZINC001317175723 1384946920 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344.886 3.484 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)c(C)s2)C1 ZINC001734122461 1437902476 /nfs/dbraw/zinc/90/24/76/1437902476.db2.gz QSWCNCHFYTYAMI-UGSOOPFHSA-N 1 2 335.517 3.299 10 30 EGEELO C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1 ZINC001734196621 1437937703 /nfs/dbraw/zinc/93/77/03/1437937703.db2.gz CVNHKOKFWLZGHJ-OAHLLOKOSA-N 1 2 342.487 3.180 10 30 EGEELO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1 ZINC001734196621 1437937706 /nfs/dbraw/zinc/93/77/06/1437937706.db2.gz CVNHKOKFWLZGHJ-OAHLLOKOSA-N 1 2 342.487 3.180 10 30 EGEELO C=CCC1(C(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c2nnc(CC)o2)CCCC1 ZINC001734356219 1438073800 /nfs/dbraw/zinc/07/38/00/1438073800.db2.gz AEZXXMCPDVCVAA-CABCVRRESA-N 1 2 348.491 3.266 10 30 EGEELO C=CCCCC(=O)N[C@]12CCC[C@@H]1[N@H+]([C@@H](C)c1nnc(C)s1)CC2 ZINC001734437099 1438099019 /nfs/dbraw/zinc/09/90/19/1438099019.db2.gz AXWNSYMPGLHEIU-YEWWUXTCSA-N 1 2 348.516 3.377 10 30 EGEELO 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C=CCCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1noc2c1CCCC2 ZINC001750938645 1440115765 /nfs/dbraw/zinc/11/57/65/1440115765.db2.gz ZEEVDXIMEHECER-INIZCTEOSA-N 1 2 345.487 3.333 10 30 EGEELO C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H](C)CCCCCC)C2 ZINC001750939065 1440116184 /nfs/dbraw/zinc/11/61/84/1440116184.db2.gz KPKGCUFQPSXARX-HNNXBMFYSA-N 1 2 347.528 3.357 10 30 EGEELO C#C[C@H](C)N(C)c1nnc([C@H](C)CC)n1CCCNc1cccc[nH+]1 ZINC001760098189 1441365716 /nfs/dbraw/zinc/36/57/16/1441365716.db2.gz PQZDFHLWKMUSNE-CVEARBPZSA-N 1 2 340.475 3.147 10 30 EGEELO C=C(C)CCC(=O)NCC1=CC[N@H+](Cc2csc(CC)n2)CC1 ZINC001772541599 1441416897 /nfs/dbraw/zinc/41/68/97/1441416897.db2.gz ZTAWRMKDTLLDCG-UHFFFAOYSA-N 1 2 333.501 3.310 10 30 EGEELO C=C(C)CCC(=O)NCC1=CC[N@@H+](Cc2csc(CC)n2)CC1 ZINC001772541599 1441416898 /nfs/dbraw/zinc/41/68/98/1441416898.db2.gz ZTAWRMKDTLLDCG-UHFFFAOYSA-N 1 2 333.501 3.310 10 30 EGEELO N#Cc1ccsc1N1CC[C@H]([N@@H+]2Cc3ccccc3C3(CC3)C2)C1=O ZINC000186242661 283227264 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DYOPPVBTBDYISW-OAHLLOKOSA-N 1 2 330.391 3.299 10 30 EGEELO O[C@@H]([C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000444727450 457956024 /nfs/dbraw/zinc/95/60/24/457956024.db2.gz FCFPRRODFDKSFA-HIFRSBDPSA-N 1 2 331.765 3.327 10 30 EGEELO O[C@@H]([C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000444727450 457956036 /nfs/dbraw/zinc/95/60/36/457956036.db2.gz FCFPRRODFDKSFA-HIFRSBDPSA-N 1 2 331.765 3.327 10 30 EGEELO Cc1nc([C@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)cs1 ZINC000189824394 455243927 /nfs/dbraw/zinc/24/39/27/455243927.db2.gz GDKAZIVYOGWDEX-MRXNPFEDSA-N 1 2 346.500 3.273 10 30 EGEELO Cc1nc([C@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)cs1 ZINC000189824394 455243932 /nfs/dbraw/zinc/24/39/32/455243932.db2.gz GDKAZIVYOGWDEX-MRXNPFEDSA-N 1 2 346.500 3.273 10 30 EGEELO COc1ccc(C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)cc1C#N ZINC000173360641 455273748 /nfs/dbraw/zinc/27/37/48/455273748.db2.gz RXEDGTGMIIZWRR-UHFFFAOYSA-N 1 2 338.411 3.386 10 30 EGEELO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245656788 455349340 /nfs/dbraw/zinc/34/93/40/455349340.db2.gz GDRIFCPGAKQBRO-IAGOWNOFSA-N 1 2 337.414 3.318 10 30 EGEELO C=CCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245656788 455349343 /nfs/dbraw/zinc/34/93/43/455349343.db2.gz GDRIFCPGAKQBRO-IAGOWNOFSA-N 1 2 337.414 3.318 10 30 EGEELO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)C(C)(C)C#N ZINC000030965382 453842213 /nfs/dbraw/zinc/84/22/13/453842213.db2.gz INGPPXNJGVLINE-CQSZACIVSA-N 1 2 342.468 3.194 10 30 EGEELO CN(C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)C(C)(C)C#N ZINC000030965382 453842214 /nfs/dbraw/zinc/84/22/14/453842214.db2.gz INGPPXNJGVLINE-CQSZACIVSA-N 1 2 342.468 3.194 10 30 EGEELO C=CCCCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000077548586 454120871 /nfs/dbraw/zinc/12/08/71/454120871.db2.gz QFSQSUQCGZUFBA-QGZVFWFLSA-N 1 2 342.443 3.126 10 30 EGEELO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000134728631 454583488 /nfs/dbraw/zinc/58/34/88/454583488.db2.gz GDRIFCPGAKQBRO-SJORKVTESA-N 1 2 337.414 3.318 10 30 EGEELO C=CCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000134728631 454583492 /nfs/dbraw/zinc/58/34/92/454583492.db2.gz GDRIFCPGAKQBRO-SJORKVTESA-N 1 2 337.414 3.318 10 30 EGEELO Oc1ccccc1N1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000134976494 454619404 /nfs/dbraw/zinc/61/94/04/454619404.db2.gz OMSCOOFQBBBSIP-UHFFFAOYSA-N 1 2 326.827 3.219 10 30 EGEELO C[C@H](c1ccccc1)[N@H+](CC#Cc1ccccc1Cl)CC(N)=O ZINC000135211386 454647297 /nfs/dbraw/zinc/64/72/97/454647297.db2.gz JBAQKXDWRRTXLL-OAHLLOKOSA-N 1 2 326.827 3.240 10 30 EGEELO C[C@H](c1ccccc1)[N@@H+](CC#Cc1ccccc1Cl)CC(N)=O ZINC000135211386 454647299 /nfs/dbraw/zinc/64/72/99/454647299.db2.gz JBAQKXDWRRTXLL-OAHLLOKOSA-N 1 2 326.827 3.240 10 30 EGEELO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000093457719 454716089 /nfs/dbraw/zinc/71/60/89/454716089.db2.gz UYSHHDXGQKGXMS-YWZLYKJASA-N 1 2 338.407 3.257 10 30 EGEELO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000093457719 454716095 /nfs/dbraw/zinc/71/60/95/454716095.db2.gz UYSHHDXGQKGXMS-YWZLYKJASA-N 1 2 338.407 3.257 10 30 EGEELO N#Cc1ccc(C[S@@](=O)Cc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000178116712 454935734 /nfs/dbraw/zinc/93/57/34/454935734.db2.gz CSJBCIKFTHSZLX-XMMPIXPASA-N 1 2 335.432 3.252 10 30 EGEELO C[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000180536967 455191272 /nfs/dbraw/zinc/19/12/72/455191272.db2.gz UZCHFWGFAVAQBM-QAPCUYQASA-N 1 2 334.423 3.162 10 30 EGEELO Cc1cc(C#N)ccc1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000160277228 455444102 /nfs/dbraw/zinc/44/41/02/455444102.db2.gz OQZGAEQUJYGPIL-SFHVURJKSA-N 1 2 348.381 3.259 10 30 EGEELO CC(C)c1[nH+]c2c(n1C)CCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC000161312930 455558448 /nfs/dbraw/zinc/55/84/48/455558448.db2.gz HCPOETPESJIINJ-UHFFFAOYSA-N 1 2 335.455 3.252 10 30 EGEELO COc1cccc(-c2noc([C@H](C)[NH2+]CC#Cc3ccccc3)n2)c1 ZINC000192184761 455569867 /nfs/dbraw/zinc/56/98/67/455569867.db2.gz ZPFMQUUDPKCDIL-HNNXBMFYSA-N 1 2 333.391 3.448 10 30 EGEELO C=CCC(F)(F)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000292708797 455736979 /nfs/dbraw/zinc/73/69/79/455736979.db2.gz HGHFIZJMVMYCKI-CYBMUJFWSA-N 1 2 339.773 3.491 10 30 EGEELO Oc1cc(N2CCCC2)ccc1C=[NH+]NC(=S)Nc1ccccc1 ZINC000252622304 455824059 /nfs/dbraw/zinc/82/40/59/455824059.db2.gz NSBLODSSWZWYCK-UHFFFAOYSA-N 1 2 340.452 3.313 10 30 EGEELO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)Cc1ccc(C#N)cc1)CCCC2 ZINC000279100753 455857971 /nfs/dbraw/zinc/85/79/71/455857971.db2.gz APZRJGJIQRLNGS-IBGZPJMESA-N 1 2 348.450 3.077 10 30 EGEELO C=CCn1c(SCc2[nH+]ccn2CC)nnc1-c1ccncc1 ZINC000195516917 455977055 /nfs/dbraw/zinc/97/70/55/455977055.db2.gz WLIPUFQYXOCOAE-UHFFFAOYSA-N 1 2 326.429 3.035 10 30 EGEELO C[C@@H](NC(=O)c1cccc(F)c1C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000188322804 456044313 /nfs/dbraw/zinc/04/43/13/456044313.db2.gz KJQVXTTXLHXXTK-CYBMUJFWSA-N 1 2 334.354 3.374 10 30 EGEELO COCCOc1ccc(C#N)cc1NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287457822 456070648 /nfs/dbraw/zinc/07/06/48/456070648.db2.gz ILWRTBAVETVHJE-UHFFFAOYSA-N 1 2 340.383 3.239 10 30 EGEELO C=CCC1(C(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)CCC1 ZINC000188840034 456148935 /nfs/dbraw/zinc/14/89/35/456148935.db2.gz WVRQWPFHMOKFEU-INIZCTEOSA-N 1 2 348.512 3.292 10 30 EGEELO COc1ccccc1C[NH+]1CCN(c2cc(C#N)ccc2C(C)=O)CC1 ZINC000302083865 456282905 /nfs/dbraw/zinc/28/29/05/456282905.db2.gz DFDXQNNTGUZXFQ-UHFFFAOYSA-N 1 2 349.434 3.092 10 30 EGEELO Cc1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc1C#N ZINC000302792633 456402915 /nfs/dbraw/zinc/40/29/15/456402915.db2.gz ZGGMIEJAOVBRKQ-UHFFFAOYSA-N 1 2 343.434 3.264 10 30 EGEELO C=CCCc1ccccc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000337605567 456417540 /nfs/dbraw/zinc/41/75/40/456417540.db2.gz PRHFOYZONQWIGT-CVEARBPZSA-N 1 2 331.460 3.036 10 30 EGEELO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(C#N)c1C ZINC000348234066 456556145 /nfs/dbraw/zinc/55/61/45/456556145.db2.gz SVCGYLGBKROYAK-NRUUGDAUSA-N 1 2 343.349 3.368 10 30 EGEELO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(C#N)c1C ZINC000348234066 456556149 /nfs/dbraw/zinc/55/61/49/456556149.db2.gz SVCGYLGBKROYAK-NRUUGDAUSA-N 1 2 343.349 3.368 10 30 EGEELO CC(C)Cn1cc[nH+]c1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000353230054 456574570 /nfs/dbraw/zinc/57/45/70/456574570.db2.gz NJXRJMQKFVBXLC-UHFFFAOYSA-N 1 2 342.418 3.144 10 30 EGEELO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Cn2ccc3ccccc32)CCO1 ZINC000328614904 456720253 /nfs/dbraw/zinc/72/02/53/456720253.db2.gz AOFCTFLJRXQFQL-QAPCUYQASA-N 1 2 338.411 3.252 10 30 EGEELO CCc1ccc(C[NH+]2CCN(C(=O)C3(C#N)CCCCC3)CC2)s1 ZINC000349247973 456922718 /nfs/dbraw/zinc/92/27/18/456922718.db2.gz VCEFZEIVXDCYPD-UHFFFAOYSA-N 1 2 345.512 3.429 10 30 EGEELO Cc1ccc(Cl)c(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1C ZINC000331249146 457153821 /nfs/dbraw/zinc/15/38/21/457153821.db2.gz RPIXDYHMVNBDGX-UHFFFAOYSA-N 1 2 339.867 3.394 10 30 EGEELO Cc1ccc(Cl)c(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1C ZINC000331249146 457153825 /nfs/dbraw/zinc/15/38/25/457153825.db2.gz RPIXDYHMVNBDGX-UHFFFAOYSA-N 1 2 339.867 3.394 10 30 EGEELO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000354282524 457171445 /nfs/dbraw/zinc/17/14/45/457171445.db2.gz OORUOQVYRTUTAD-MRXNPFEDSA-N 1 2 336.370 3.119 10 30 EGEELO C[C@@H](CC#N)NC(=O)[C@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000346991946 457194300 /nfs/dbraw/zinc/19/43/00/457194300.db2.gz ROFYGTRHWGDKNX-LRDDRELGSA-N 1 2 337.826 3.424 10 30 EGEELO C=CCCCCCN(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000352447480 457374124 /nfs/dbraw/zinc/37/41/24/457374124.db2.gz MFKHTBKMBBGLCB-UHFFFAOYSA-N 1 2 332.370 3.333 10 30 EGEELO N#CCC[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccccc1 ZINC000352460420 457385264 /nfs/dbraw/zinc/38/52/64/457385264.db2.gz DGWAAYIXPPSGJM-KRWDZBQOSA-N 1 2 331.379 3.042 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1(c3cccc(C#N)c3)CC1)C2 ZINC000357303175 457432057 /nfs/dbraw/zinc/43/20/57/457432057.db2.gz GEBUDELXIQIQIC-OAHLLOKOSA-N 1 2 348.450 3.315 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1(c3cccc(C#N)c3)CC1)CC2 ZINC000357303175 457432061 /nfs/dbraw/zinc/43/20/61/457432061.db2.gz GEBUDELXIQIQIC-OAHLLOKOSA-N 1 2 348.450 3.315 10 30 EGEELO CC(C)(C#N)c1ccccc1C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000370073756 457529732 /nfs/dbraw/zinc/52/97/32/457529732.db2.gz QSNSCCUPPVGKAS-GOSISDBHSA-N 1 2 331.423 3.485 10 30 EGEELO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)nc1C ZINC000361753817 457834404 /nfs/dbraw/zinc/83/44/04/457834404.db2.gz KZWSEMNVGLNMCD-NSHDSACASA-N 1 2 347.415 3.490 10 30 EGEELO N#Cc1cccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000369122594 458090888 /nfs/dbraw/zinc/09/08/88/458090888.db2.gz RXQRAUASTYOKJP-KRWDZBQOSA-N 1 2 334.423 3.111 10 30 EGEELO N#CCCN(Cc1c[nH+]cn1Cc1ccccc1)Cc1ccccn1 ZINC000445811016 458091061 /nfs/dbraw/zinc/09/10/61/458091061.db2.gz NNJOKDCGCMRWGF-UHFFFAOYSA-N 1 2 331.423 3.242 10 30 EGEELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413221154 458295338 /nfs/dbraw/zinc/29/53/38/458295338.db2.gz SDYMYPSJDQTGOI-ZDUSSCGKSA-N 1 2 328.366 3.115 10 30 EGEELO COc1ccccc1CC[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459349375 458340029 /nfs/dbraw/zinc/34/00/29/458340029.db2.gz ZTOVNDJJDGZTOG-UHFFFAOYSA-N 1 2 325.368 3.150 10 30 EGEELO COc1ccccc1CC[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459349375 458340031 /nfs/dbraw/zinc/34/00/31/458340031.db2.gz ZTOVNDJJDGZTOG-UHFFFAOYSA-N 1 2 325.368 3.150 10 30 EGEELO CN(CCC#N)c1ccc(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000372920965 458349171 /nfs/dbraw/zinc/34/91/71/458349171.db2.gz IMBWBEYUMYQOEM-LJQANCHMSA-N 1 2 346.438 3.034 10 30 EGEELO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000470936094 458666204 /nfs/dbraw/zinc/66/62/04/458666204.db2.gz YVULPOGJPMGLAR-BXKDBHETSA-N 1 2 345.752 3.423 10 30 EGEELO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000470936094 458666210 /nfs/dbraw/zinc/66/62/10/458666210.db2.gz YVULPOGJPMGLAR-BXKDBHETSA-N 1 2 345.752 3.423 10 30 EGEELO COc1ccc(F)c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000507114710 458752066 /nfs/dbraw/zinc/75/20/66/458752066.db2.gz ABHKPDYVIXECLG-UHFFFAOYSA-N 1 2 325.387 3.028 10 30 EGEELO C=CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2c2cccc(C)c2)cc1 ZINC000514871813 458802532 /nfs/dbraw/zinc/80/25/32/458802532.db2.gz DPNDKZWAKULNCQ-HXUWFJFHSA-N 1 2 336.435 3.233 10 30 EGEELO C=CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2c2cccc(C)c2)cc1 ZINC000514871813 458802537 /nfs/dbraw/zinc/80/25/37/458802537.db2.gz DPNDKZWAKULNCQ-HXUWFJFHSA-N 1 2 336.435 3.233 10 30 EGEELO C=CCCCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000472829754 458810069 /nfs/dbraw/zinc/81/00/69/458810069.db2.gz IEXKHRBIBFGQSL-UHFFFAOYSA-N 1 2 335.517 3.494 10 30 EGEELO C[NH+](C)Cc1csc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000457312995 458918874 /nfs/dbraw/zinc/91/88/74/458918874.db2.gz LQHRTJCXLWAPHR-UHFFFAOYSA-N 1 2 326.425 3.012 10 30 EGEELO C=CCCCCCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000577408968 459030254 /nfs/dbraw/zinc/03/02/54/459030254.db2.gz MBSZYXLOIMYPNC-KRWDZBQOSA-N 1 2 330.476 3.216 10 30 EGEELO CCOCc1nc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)no1 ZINC000594611365 459111965 /nfs/dbraw/zinc/11/19/65/459111965.db2.gz ZMLIJMIVUZVJMY-CYBMUJFWSA-N 1 2 328.416 3.258 10 30 EGEELO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000532704471 459131615 /nfs/dbraw/zinc/13/16/15/459131615.db2.gz QMVHOHLZQUIZQJ-INIZCTEOSA-N 1 2 339.357 3.473 10 30 EGEELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000532704471 459131622 /nfs/dbraw/zinc/13/16/22/459131622.db2.gz QMVHOHLZQUIZQJ-INIZCTEOSA-N 1 2 339.357 3.473 10 30 EGEELO Cc1[nH+]c2ccccc2n1CCC(=O)NCc1ccc(CC#N)cc1 ZINC000578773239 459239641 /nfs/dbraw/zinc/23/96/41/459239641.db2.gz HPANOFJIQOHXTL-UHFFFAOYSA-N 1 2 332.407 3.117 10 30 EGEELO CCn1cc[nH+]c1[C@@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000568396289 459281559 /nfs/dbraw/zinc/28/15/59/459281559.db2.gz CNWUMPYJWUHZAM-INIZCTEOSA-N 1 2 339.399 3.410 10 30 EGEELO C=CCOc1ccccc1C[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000537623089 459366331 /nfs/dbraw/zinc/36/63/31/459366331.db2.gz VAJVARNWWZTTJT-CQSZACIVSA-N 1 2 328.378 3.320 10 30 EGEELO CCOC(=O)c1c(C)onc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595631990 459376495 /nfs/dbraw/zinc/37/64/95/459376495.db2.gz ARVPUUCBZYDMNV-UHFFFAOYSA-N 1 2 327.384 3.056 10 30 EGEELO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000583222129 459503657 /nfs/dbraw/zinc/50/36/57/459503657.db2.gz APYKMCAJPSELGE-UHFFFAOYSA-N 1 2 339.826 3.170 10 30 EGEELO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592073173 459520711 /nfs/dbraw/zinc/52/07/11/459520711.db2.gz KEGFXDPDSWWQFO-MRXNPFEDSA-N 1 2 332.451 3.369 10 30 EGEELO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccncc1C#N ZINC000592107716 459525349 /nfs/dbraw/zinc/52/53/49/459525349.db2.gz MOANYIXFVWDYSN-WBAXXEDZSA-N 1 2 341.455 3.428 10 30 EGEELO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccncc1C#N ZINC000592107716 459525356 /nfs/dbraw/zinc/52/53/56/459525356.db2.gz MOANYIXFVWDYSN-WBAXXEDZSA-N 1 2 341.455 3.428 10 30 EGEELO N#Cc1cnccc1C[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000592123321 459529161 /nfs/dbraw/zinc/52/91/61/459529161.db2.gz SRVCBXDJSOLJRB-UHFFFAOYSA-N 1 2 326.831 3.319 10 30 EGEELO N#Cc1cnccc1C[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000592123321 459529165 /nfs/dbraw/zinc/52/91/65/459529165.db2.gz SRVCBXDJSOLJRB-UHFFFAOYSA-N 1 2 326.831 3.319 10 30 EGEELO C=CC[N@@H+](CCc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000488236151 459541533 /nfs/dbraw/zinc/54/15/33/459541533.db2.gz WEBAIXPCFMYHHY-CQSZACIVSA-N 1 2 348.295 3.211 10 30 EGEELO C=CC[N@H+](CCc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000488236151 459541540 /nfs/dbraw/zinc/54/15/40/459541540.db2.gz WEBAIXPCFMYHHY-CQSZACIVSA-N 1 2 348.295 3.211 10 30 EGEELO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000562611595 459602070 /nfs/dbraw/zinc/60/20/70/459602070.db2.gz CSDXRWSVSKEIIH-ASPXRTSYSA-N 1 2 349.519 3.053 10 30 EGEELO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000562611595 459602075 /nfs/dbraw/zinc/60/20/75/459602075.db2.gz CSDXRWSVSKEIIH-ASPXRTSYSA-N 1 2 349.519 3.053 10 30 EGEELO CC[C@](C)(C#N)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596613994 459699592 /nfs/dbraw/zinc/69/95/92/459699592.db2.gz KNRLICFBKTUXJU-SIXWZSSISA-N 1 2 340.427 3.223 10 30 EGEELO CC[C@](C)(C#N)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596613994 459699596 /nfs/dbraw/zinc/69/95/96/459699596.db2.gz KNRLICFBKTUXJU-SIXWZSSISA-N 1 2 340.427 3.223 10 30 EGEELO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(CCCCC#N)n2)O1 ZINC000596613700 459699877 /nfs/dbraw/zinc/69/98/77/459699877.db2.gz HJVBDDKMLDZQQP-WBVHZDCISA-N 1 2 340.427 3.268 10 30 EGEELO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(CCCCC#N)n2)O1 ZINC000596613700 459699881 /nfs/dbraw/zinc/69/98/81/459699881.db2.gz 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COCC[N@@H+](Cc1cc(C(C)(C)C)on1)Cc1ccc(C#N)cc1 ZINC000289713107 266684645 /nfs/dbraw/zinc/68/46/45/266684645.db2.gz GJVPSJFOQBVKFO-UHFFFAOYSA-N 1 2 327.428 3.492 10 30 EGEELO N#Cc1ccc(C2(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000188389897 268053432 /nfs/dbraw/zinc/05/34/32/268053432.db2.gz TXXPICNZRFQACI-UHFFFAOYSA-N 1 2 328.375 3.414 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000439456600 268221122 /nfs/dbraw/zinc/22/11/22/268221122.db2.gz YZWAVRUJVJZQSX-GOSISDBHSA-N 1 2 339.826 3.275 10 30 EGEELO N#Cc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000439456600 268221124 /nfs/dbraw/zinc/22/11/24/268221124.db2.gz YZWAVRUJVJZQSX-GOSISDBHSA-N 1 2 339.826 3.275 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000459331292 268289854 /nfs/dbraw/zinc/28/98/54/268289854.db2.gz VGGIOWHDFSLYGZ-UHFFFAOYSA-N 1 2 329.400 3.390 10 30 EGEELO N#Cc1cccc(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000536807667 314146231 /nfs/dbraw/zinc/14/62/31/314146231.db2.gz WBKZBHLNMHXHIU-UHFFFAOYSA-N 1 2 348.450 3.193 10 30 EGEELO N#Cc1cccc(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000544039892 314668760 /nfs/dbraw/zinc/66/87/60/314668760.db2.gz WBFANSKGPHSQJZ-UHFFFAOYSA-N 1 2 336.439 3.016 10 30 EGEELO N#Cc1csc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)n1 ZINC000555103500 315366435 /nfs/dbraw/zinc/36/64/35/315366435.db2.gz IATNEWNVQNBXFV-UHFFFAOYSA-N 1 2 339.420 3.075 10 30 EGEELO N#Cc1csc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)n1 ZINC000555103500 315366438 /nfs/dbraw/zinc/36/64/38/315366438.db2.gz IATNEWNVQNBXFV-UHFFFAOYSA-N 1 2 339.420 3.075 10 30 EGEELO C=CC[N@@H+](Cc1ccc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361432 454556736 /nfs/dbraw/zinc/55/67/36/454556736.db2.gz DZIZBKTUGARDBU-CYBMUJFWSA-N 1 2 327.515 3.221 10 30 EGEELO C=CC[N@H+](Cc1ccc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361432 454556741 /nfs/dbraw/zinc/55/67/41/454556741.db2.gz DZIZBKTUGARDBU-CYBMUJFWSA-N 1 2 327.515 3.221 10 30 EGEELO N#Cc1csc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)n1 ZINC000564416062 316148687 /nfs/dbraw/zinc/14/86/87/316148687.db2.gz WPUNWXPASOVVJW-CQSZACIVSA-N 1 2 349.257 3.413 10 30 EGEELO COc1ccc(C[NH2+]Cc2nc(C#N)cs2)c(C(F)(F)F)c1 ZINC000352834145 456349404 /nfs/dbraw/zinc/34/94/04/456349404.db2.gz LABIIUJKMNRQFP-UHFFFAOYSA-N 1 2 327.331 3.332 10 30 EGEELO N#Cc1ccc(/C=C/C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000058282634 454179002 /nfs/dbraw/zinc/17/90/02/454179002.db2.gz BQZBEMARSSWMCM-JXMROGBWSA-N 1 2 328.375 3.074 10 30 EGEELO Cc1csc([C@@H]2C[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)CCO2)n1 ZINC000092789946 454633588 /nfs/dbraw/zinc/63/35/88/454633588.db2.gz ZMVLWDBFUIPLEZ-YOEHRIQHSA-N 1 2 343.452 3.316 10 30 EGEELO Cc1csc([C@@H]2C[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)CCO2)n1 ZINC000092789946 454633594 /nfs/dbraw/zinc/63/35/94/454633594.db2.gz ZMVLWDBFUIPLEZ-YOEHRIQHSA-N 1 2 343.452 3.316 10 30 EGEELO Cn1cc(C#N)cc1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000081040383 454676310 /nfs/dbraw/zinc/67/63/10/454676310.db2.gz RESVHYVMODRCEG-UHFFFAOYSA-N 1 2 345.406 3.349 10 30 EGEELO CC(C)(C)C[N@H+](CCC#N)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000111250183 454859008 /nfs/dbraw/zinc/85/90/08/454859008.db2.gz GGVJDNYVSRYLRD-ZDUSSCGKSA-N 1 2 333.398 3.049 10 30 EGEELO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000111250183 454859011 /nfs/dbraw/zinc/85/90/11/454859011.db2.gz GGVJDNYVSRYLRD-ZDUSSCGKSA-N 1 2 333.398 3.049 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c(Br)c1 ZINC000245546754 455326403 /nfs/dbraw/zinc/32/64/03/455326403.db2.gz MIVGLBCYYZHGHD-CVEARBPZSA-N 1 2 335.245 3.464 10 30 EGEELO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c(Br)c1 ZINC000245546754 455326409 /nfs/dbraw/zinc/32/64/09/455326409.db2.gz MIVGLBCYYZHGHD-CVEARBPZSA-N 1 2 335.245 3.464 10 30 EGEELO CC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nccs1 ZINC000185079255 455497645 /nfs/dbraw/zinc/49/76/45/455497645.db2.gz BXVUWKJLIJBYBS-ZDUSSCGKSA-N 1 2 334.832 3.348 10 30 EGEELO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000192107616 455558115 /nfs/dbraw/zinc/55/81/15/455558115.db2.gz RFTMDWJPAWQEMU-HXUWFJFHSA-N 1 2 348.446 3.458 10 30 EGEELO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000192107616 455558119 /nfs/dbraw/zinc/55/81/19/455558119.db2.gz RFTMDWJPAWQEMU-HXUWFJFHSA-N 1 2 348.446 3.458 10 30 EGEELO C[C@@H]1CN(CC#Cc2ccccc2)C[C@H](C)[N@H+]1CC#Cc1ccccc1 ZINC000192194627 455571161 /nfs/dbraw/zinc/57/11/61/455571161.db2.gz LCASEGVSRHCXKO-SZPZYZBQSA-N 1 2 342.486 3.484 10 30 EGEELO C[C@@H]1CN(CC#Cc2ccccc2)C[C@H](C)[N@@H+]1CC#Cc1ccccc1 ZINC000192194627 455571165 /nfs/dbraw/zinc/57/11/65/455571165.db2.gz LCASEGVSRHCXKO-SZPZYZBQSA-N 1 2 342.486 3.484 10 30 EGEELO C=C(C)C[C@H](C)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000185768045 455618178 /nfs/dbraw/zinc/61/81/78/455618178.db2.gz SOUIFFZQBFUPQH-HOTGVXAUSA-N 1 2 336.501 3.182 10 30 EGEELO C#CCOc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000185873444 455639482 /nfs/dbraw/zinc/63/94/82/455639482.db2.gz NQFGNYCHOAASNM-UHFFFAOYSA-N 1 2 329.403 3.445 10 30 EGEELO C=CCC(F)(F)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000293280264 455780279 /nfs/dbraw/zinc/78/02/79/455780279.db2.gz XAWNHAWPTQKKTA-AWEZNQCLSA-N 1 2 335.354 3.311 10 30 EGEELO C=CCC(F)(F)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000293280264 455780287 /nfs/dbraw/zinc/78/02/87/455780287.db2.gz XAWNHAWPTQKKTA-AWEZNQCLSA-N 1 2 335.354 3.311 10 30 EGEELO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000295445709 455849709 /nfs/dbraw/zinc/84/97/09/455849709.db2.gz PCVZWJZUVRYHJG-KXBFYZLASA-N 1 2 347.434 3.154 10 30 EGEELO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000295445709 455849711 /nfs/dbraw/zinc/84/97/11/455849711.db2.gz PCVZWJZUVRYHJG-KXBFYZLASA-N 1 2 347.434 3.154 10 30 EGEELO N#Cc1cc(Br)cnc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000296668169 456005592 /nfs/dbraw/zinc/00/55/92/456005592.db2.gz ZDNRWMNAFGUOBF-UHFFFAOYSA-N 1 2 344.216 3.455 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000188484639 456070688 /nfs/dbraw/zinc/07/06/88/456070688.db2.gz ZQZNKSGZTRKSPS-CRAIPNDOSA-N 1 2 336.501 3.148 10 30 EGEELO C=CCOc1ccc(C[NH2+]Cc2nccc(C(F)F)n2)cc1OC ZINC000288387808 456093826 /nfs/dbraw/zinc/09/38/26/456093826.db2.gz GTGPITCZVSGTTC-UHFFFAOYSA-N 1 2 335.354 3.277 10 30 EGEELO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188617923 456097777 /nfs/dbraw/zinc/09/77/77/456097777.db2.gz YBLSZGWCTKYZFZ-CYBMUJFWSA-N 1 2 346.390 3.249 10 30 EGEELO C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282222355 456447620 /nfs/dbraw/zinc/44/76/20/456447620.db2.gz HJOUODSWQBKDDY-UZLBHIALSA-N 1 2 345.487 3.154 10 30 EGEELO C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282222353 456447739 /nfs/dbraw/zinc/44/77/39/456447739.db2.gz HJOUODSWQBKDDY-OXJNMPFZSA-N 1 2 345.487 3.154 10 30 EGEELO COc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000343371760 456568468 /nfs/dbraw/zinc/56/84/68/456568468.db2.gz QODBCKUEWGWCQC-CRAIPNDOSA-N 1 2 344.361 3.153 10 30 EGEELO COc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000343371760 456568473 /nfs/dbraw/zinc/56/84/73/456568473.db2.gz QODBCKUEWGWCQC-CRAIPNDOSA-N 1 2 344.361 3.153 10 30 EGEELO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)nc1C ZINC000348498344 456716516 /nfs/dbraw/zinc/71/65/16/456716516.db2.gz TTZIWJXEVOPDLH-LBPRGKRZSA-N 1 2 329.425 3.351 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@H]1c1ccncc1)CCC2 ZINC000328653113 456728538 /nfs/dbraw/zinc/72/85/38/456728538.db2.gz KVKCBMOLBARNQR-IRXDYDNUSA-N 1 2 339.443 3.215 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCO[C@@H]1CCCC[C@H]1C)CCC2 ZINC000328663356 456732598 /nfs/dbraw/zinc/73/25/98/456732598.db2.gz XVVAGTPMLQSOPA-HYVNUMGLSA-N 1 2 348.491 3.168 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(O)c1)CCC2 ZINC000328694657 456738697 /nfs/dbraw/zinc/73/86/97/456738697.db2.gz GCPLHEUABLVQEL-HOCLYGCPSA-N 1 2 342.443 3.382 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])NC[C@@H](C)c1ncc(C)s1)CCC2 ZINC000329586253 456912561 /nfs/dbraw/zinc/91/25/61/456912561.db2.gz MLYJBKYFBZROMP-RISCZKNCSA-N 1 2 347.488 3.141 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+]C[C@@H](C)c1ncc(C)s1)CCC2 ZINC000329586253 456912566 /nfs/dbraw/zinc/91/25/66/456912566.db2.gz MLYJBKYFBZROMP-RISCZKNCSA-N 1 2 347.488 3.141 10 30 EGEELO C=CCN1C(=O)c2ccc(C(=O)Nc3c(C)cc(C)[nH+]c3C)cc2C1=O ZINC000359409012 457082324 /nfs/dbraw/zinc/08/23/24/457082324.db2.gz FJZRGXDNORLVIS-UHFFFAOYSA-N 1 2 349.390 3.041 10 30 EGEELO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000331075507 457128438 /nfs/dbraw/zinc/12/84/38/457128438.db2.gz HNYVPMCOLHTVKA-VXGBXAGGSA-N 1 2 332.370 3.096 10 30 EGEELO Cc1ccc(Cl)c(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c1C ZINC000331254845 457154279 /nfs/dbraw/zinc/15/42/79/457154279.db2.gz XUVMFADLYHPERR-LBPRGKRZSA-N 1 2 325.840 3.003 10 30 EGEELO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)C#N)c(C)c1 ZINC000354529391 457272272 /nfs/dbraw/zinc/27/22/72/457272272.db2.gz FNDFVTQSXHXWOD-KRWDZBQOSA-N 1 2 339.443 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CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccc(C#N)c1O ZINC000926587517 1327627669 /nfs/dbraw/zinc/62/76/69/1327627669.db2.gz MUPHUKONROBRTH-MAUKXSAKSA-N 1 2 328.387 3.220 10 30 EGEELO CC[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccc(C#N)c1O ZINC000926587524 1327627834 /nfs/dbraw/zinc/62/78/34/1327627834.db2.gz MUPHUKONROBRTH-YJBOKZPZSA-N 1 2 328.387 3.220 10 30 EGEELO N#Cc1cnc(Cl)c(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000929064705 1328497353 /nfs/dbraw/zinc/49/73/53/1328497353.db2.gz KNWRQUPCJVHNMS-UHFFFAOYSA-N 1 2 349.825 3.351 10 30 EGEELO N#Cc1cnc(Cl)c(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000929064705 1328497356 /nfs/dbraw/zinc/49/73/56/1328497356.db2.gz KNWRQUPCJVHNMS-UHFFFAOYSA-N 1 2 349.825 3.351 10 30 EGEELO C#CCCCCCC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000863482431 1329557869 /nfs/dbraw/zinc/55/78/69/1329557869.db2.gz HUQBYLADJYDGMD-UHFFFAOYSA-N 1 2 337.467 3.396 10 30 EGEELO N#Cc1cccc(Br)c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000865596739 1329718090 /nfs/dbraw/zinc/71/80/90/1329718090.db2.gz XQHDGCSOKHZLPL-UHFFFAOYSA-N 1 2 331.217 3.428 10 30 EGEELO C#Cc1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000933361080 1329882616 /nfs/dbraw/zinc/88/26/16/1329882616.db2.gz BMMNKAUPBZNHOO-AWEZNQCLSA-N 1 2 342.830 3.466 10 30 EGEELO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000934468023 1329981113 /nfs/dbraw/zinc/98/11/13/1329981113.db2.gz YIGBZYGSOBHMEY-QGZVFWFLSA-N 1 2 338.455 3.386 10 30 EGEELO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000934468023 1329981114 /nfs/dbraw/zinc/98/11/14/1329981114.db2.gz YIGBZYGSOBHMEY-QGZVFWFLSA-N 1 2 338.455 3.386 10 30 EGEELO C=C(C)c1cccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000934876601 1330014358 /nfs/dbraw/zinc/01/43/58/1330014358.db2.gz KOJYMAYBLCMUBL-IBGZPJMESA-N 1 2 343.471 3.438 10 30 EGEELO C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1cccc(C#N)c1O ZINC000866241710 1330084239 /nfs/dbraw/zinc/08/42/39/1330084239.db2.gz FZOVVSLPRIUBKJ-KSSFIOAISA-N 1 2 337.423 3.134 10 30 EGEELO C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cccc(C#N)c1O ZINC000866344733 1330099385 /nfs/dbraw/zinc/09/93/85/1330099385.db2.gz XIGFQVSKHGEIQF-GFCCVEGCSA-N 1 2 341.377 3.189 10 30 EGEELO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1cccc(C#N)c1O ZINC000866345623 1330099657 /nfs/dbraw/zinc/09/96/57/1330099657.db2.gz ABUVYTWLKGWJQD-OCCSQVGLSA-N 1 2 346.377 3.044 10 30 EGEELO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1cccc(C#N)c1O ZINC000866548821 1330125203 /nfs/dbraw/zinc/12/52/03/1330125203.db2.gz QQYBQYSVSIGINL-YDHLFZDLSA-N 1 2 345.443 3.218 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC000940655163 1331142862 /nfs/dbraw/zinc/14/28/62/1331142862.db2.gz JIGPRKYKEFZTRD-JSGCOSHPSA-N 1 2 343.309 3.158 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC000940655163 1331142863 /nfs/dbraw/zinc/14/28/63/1331142863.db2.gz JIGPRKYKEFZTRD-JSGCOSHPSA-N 1 2 343.309 3.158 10 30 EGEELO C=CC1(CC(=O)NC[C@@H]2CC[N@H+]2Cc2cc(C)ncn2)CCCCC1 ZINC001323319515 1387335855 /nfs/dbraw/zinc/33/58/55/1387335855.db2.gz RMJIGCROXUAOHV-SFHVURJKSA-N 1 2 342.487 3.002 10 30 EGEELO C=CC1(CC(=O)NC[C@@H]2CC[N@@H+]2Cc2cc(C)ncn2)CCCCC1 ZINC001323319515 1387335863 /nfs/dbraw/zinc/33/58/63/1387335863.db2.gz RMJIGCROXUAOHV-SFHVURJKSA-N 1 2 342.487 3.002 10 30 EGEELO C=CCC1(C(=O)N(C)C2C[NH+](Cc3csc(C)c3)C2)CCOCC1 ZINC001324017198 1387509441 /nfs/dbraw/zinc/50/94/41/1387509441.db2.gz IJUUJJBCOMJTBH-UHFFFAOYSA-N 1 2 348.512 3.072 10 30 EGEELO C#CCCCCC(=O)NC[C@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC001491099628 1394428610 /nfs/dbraw/zinc/42/86/10/1394428610.db2.gz UEDPQBZMDKWBQQ-MFYHJKBNSA-N 1 2 331.287 3.327 10 30 EGEELO C=CCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC001324128800 1387545664 /nfs/dbraw/zinc/54/56/64/1387545664.db2.gz IHCIOUMMAUGKKL-HNNXBMFYSA-N 1 2 336.863 3.395 10 30 EGEELO C#CCN(C(=O)C1CCC1)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001483977997 1395172296 /nfs/dbraw/zinc/17/22/96/1395172296.db2.gz MLZFEIPZZMECDD-KAMYIIQDSA-N 1 2 329.271 3.032 10 30 EGEELO C=CCCCC(=O)N[C@@]1(C)CC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001324642019 1387714943 /nfs/dbraw/zinc/71/49/43/1387714943.db2.gz QWVPUNXXLVVADF-HNNXBMFYSA-N 1 2 327.881 3.233 10 30 EGEELO C=CCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001324642019 1387714947 /nfs/dbraw/zinc/71/49/47/1387714947.db2.gz QWVPUNXXLVVADF-HNNXBMFYSA-N 1 2 327.881 3.233 10 30 EGEELO C=CC(C)(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001324935866 1387831983 /nfs/dbraw/zinc/83/19/83/1387831983.db2.gz HTQWHHRDEBXUQL-HXUWFJFHSA-N 1 2 344.503 3.106 10 30 EGEELO C=CC(C)(C)CC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ncc(C)cn2)C1 ZINC001324935866 1387831988 /nfs/dbraw/zinc/83/19/88/1387831988.db2.gz HTQWHHRDEBXUQL-HXUWFJFHSA-N 1 2 344.503 3.106 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+](CC(=C)Br)C1 ZINC001324947460 1387844461 /nfs/dbraw/zinc/84/44/61/1387844461.db2.gz JKFOHWKKXDBPFC-MRXNPFEDSA-N 1 2 343.309 3.326 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@@H+](CC(=C)Br)C1 ZINC001324947460 1387844462 /nfs/dbraw/zinc/84/44/62/1387844462.db2.gz JKFOHWKKXDBPFC-MRXNPFEDSA-N 1 2 343.309 3.326 10 30 EGEELO C[C@H]1C[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001324958935 1387852799 /nfs/dbraw/zinc/85/27/99/1387852799.db2.gz XYTKUACVYKWAOK-DCPHZVHLSA-N 1 2 343.446 3.072 10 30 EGEELO C[C@H]1C[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001324958935 1387852806 /nfs/dbraw/zinc/85/28/06/1387852806.db2.gz XYTKUACVYKWAOK-DCPHZVHLSA-N 1 2 343.446 3.072 10 30 EGEELO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC001325222050 1387916950 /nfs/dbraw/zinc/91/69/50/1387916950.db2.gz DVTJLLWJSODFOR-WCQYABFASA-N 1 2 333.457 3.352 10 30 EGEELO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC001325222050 1387916952 /nfs/dbraw/zinc/91/69/52/1387916952.db2.gz DVTJLLWJSODFOR-WCQYABFASA-N 1 2 333.457 3.352 10 30 EGEELO CC#CC[N@@H+](C)Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-] ZINC001194746355 1368315513 /nfs/dbraw/zinc/31/55/13/1368315513.db2.gz SALKGQPBIHYTLX-AWEZNQCLSA-N 1 2 334.416 3.483 10 30 EGEELO CC#CC[N@H+](C)Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-] ZINC001194746355 1368315520 /nfs/dbraw/zinc/31/55/20/1368315520.db2.gz SALKGQPBIHYTLX-AWEZNQCLSA-N 1 2 334.416 3.483 10 30 EGEELO C=C(C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nnc(CC)s1 ZINC001325896219 1388069433 /nfs/dbraw/zinc/06/94/33/1388069433.db2.gz CPYNPFGIOPOCPC-GJZGRUSLSA-N 1 2 348.516 3.022 10 30 EGEELO C=C(C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nnc(CC)s1 ZINC001325896219 1388069442 /nfs/dbraw/zinc/06/94/42/1388069442.db2.gz CPYNPFGIOPOCPC-GJZGRUSLSA-N 1 2 348.516 3.022 10 30 EGEELO Cc1nc(N[C@H]2Cc3ccc(C#N)cc3C2)c(Br)c(C)[nH+]1 ZINC001187406357 1388103248 /nfs/dbraw/zinc/10/32/48/1388103248.db2.gz WTHFGONWXCDKDT-AWEZNQCLSA-N 1 2 343.228 3.307 10 30 EGEELO CCCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001326645967 1388266476 /nfs/dbraw/zinc/26/64/76/1388266476.db2.gz BGPLQDSATVAUAJ-SFHVURJKSA-N 1 2 347.503 3.099 10 30 EGEELO CCCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001326645967 1388266481 /nfs/dbraw/zinc/26/64/81/1388266481.db2.gz BGPLQDSATVAUAJ-SFHVURJKSA-N 1 2 347.503 3.099 10 30 EGEELO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1)C(C)(C)C ZINC001266225419 1377236392 /nfs/dbraw/zinc/23/63/92/1377236392.db2.gz NYXDNPCGDXCJNI-RHSMWYFYSA-N 1 2 345.462 3.460 10 30 EGEELO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)C(C)(C)C ZINC001266225419 1377236393 /nfs/dbraw/zinc/23/63/93/1377236393.db2.gz NYXDNPCGDXCJNI-RHSMWYFYSA-N 1 2 345.462 3.460 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001266232855 1377238830 /nfs/dbraw/zinc/23/88/30/1377238830.db2.gz CESQHCPYAPOBSD-GOSISDBHSA-N 1 2 325.456 3.241 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001266232855 1377238831 /nfs/dbraw/zinc/23/88/31/1377238831.db2.gz CESQHCPYAPOBSD-GOSISDBHSA-N 1 2 325.456 3.241 10 30 EGEELO C#CCCCC(=O)NCC[N@@H+](C)Cc1cc(Cl)ccc1Cl ZINC001266269715 1377254661 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CCCCc1noc([C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344133758 164111464 /nfs/dbraw/zinc/11/14/64/164111464.db2.gz XYCADZWALKDVQE-OAHLLOKOSA-N 1 2 342.443 3.493 10 30 EGEELO CCCCc1noc([C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344133758 164111466 /nfs/dbraw/zinc/11/14/66/164111466.db2.gz XYCADZWALKDVQE-OAHLLOKOSA-N 1 2 342.443 3.493 10 30 EGEELO N#Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)nc2ccccc12 ZINC000346394400 164379432 /nfs/dbraw/zinc/37/94/32/164379432.db2.gz DRQXWFQVWFUNSW-UHFFFAOYSA-N 1 2 329.407 3.136 10 30 EGEELO Cc1cc(NC(=O)c2ccc(C#N)nc2)c[nH+]c1N1CCCC[C@H]1C ZINC000355532145 166233773 /nfs/dbraw/zinc/23/37/73/166233773.db2.gz KSWPTRFYHFWTRH-CQSZACIVSA-N 1 2 335.411 3.288 10 30 EGEELO N#Cc1ccc(C(F)(F)F)nc1NCc1[nH+]ccn1CC(F)(F)F ZINC000360280667 167288985 /nfs/dbraw/zinc/28/89/85/167288985.db2.gz YRSXVTSUKBYMDY-UHFFFAOYSA-N 1 2 349.238 3.343 10 30 EGEELO COc1cc(F)ccc1N1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000360309637 167297497 /nfs/dbraw/zinc/29/74/97/167297497.db2.gz 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Cc1cc(C[NH+]2CCN(c3cccc(C(F)F)c3C#N)CC2)on1 ZINC000579534437 325122755 /nfs/dbraw/zinc/12/27/55/325122755.db2.gz VGINJXLOENSUOL-UHFFFAOYSA-N 1 2 332.354 3.115 10 30 EGEELO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157808064 455234463 /nfs/dbraw/zinc/23/44/63/455234463.db2.gz IHZDEMNLMAUVFM-CYBMUJFWSA-N 1 2 347.465 3.083 10 30 EGEELO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157808064 455234465 /nfs/dbraw/zinc/23/44/65/455234465.db2.gz IHZDEMNLMAUVFM-CYBMUJFWSA-N 1 2 347.465 3.083 10 30 EGEELO O[C@]1(C(F)(F)F)CCC[N@H+](CC#Cc2ccccc2Cl)CC1 ZINC000512527818 458785465 /nfs/dbraw/zinc/78/54/65/458785465.db2.gz YKSBYNWOZWWVPV-OAHLLOKOSA-N 1 2 331.765 3.471 10 30 EGEELO O[C@]1(C(F)(F)F)CCC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC000512527818 458785467 /nfs/dbraw/zinc/78/54/67/458785467.db2.gz YKSBYNWOZWWVPV-OAHLLOKOSA-N 1 2 331.765 3.471 10 30 EGEELO C=CC[C@@H]1CCN(C(=O)NCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000623449345 460555980 /nfs/dbraw/zinc/55/59/80/460555980.db2.gz RLPRJCNWNZXTOV-MRXNPFEDSA-N 1 2 326.444 3.342 10 30 EGEELO Oc1ccc(/C=N\N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000013897723 453490911 /nfs/dbraw/zinc/49/09/11/453490911.db2.gz WPIFMFZQJCPHGG-MOSHPQCFSA-N 1 2 329.831 3.197 10 30 EGEELO N#CCc1ccc(NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000076084648 453960887 /nfs/dbraw/zinc/96/08/87/453960887.db2.gz XRPNIFIFOUVUOE-UHFFFAOYSA-N 1 2 339.786 3.375 10 30 EGEELO N#Cc1nnc2ccccc2c1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000077487504 454112007 /nfs/dbraw/zinc/11/20/07/454112007.db2.gz WGVDHUSHRPHSPX-UHFFFAOYSA-N 1 2 334.770 3.415 10 30 EGEELO C=CC[N@@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000063381270 454408766 /nfs/dbraw/zinc/40/87/66/454408766.db2.gz PBJOXTYCUWEDBQ-HOTGVXAUSA-N 1 2 345.443 3.372 10 30 EGEELO C=CC[N@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000063381270 454408772 /nfs/dbraw/zinc/40/87/72/454408772.db2.gz PBJOXTYCUWEDBQ-HOTGVXAUSA-N 1 2 345.443 3.372 10 30 EGEELO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)o1 ZINC000073606164 454457161 /nfs/dbraw/zinc/45/71/61/454457161.db2.gz ZQEXKHJSHKIINW-OAHLLOKOSA-N 1 2 343.402 3.494 10 30 EGEELO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)o1 ZINC000073606164 454457164 /nfs/dbraw/zinc/45/71/64/454457164.db2.gz ZQEXKHJSHKIINW-OAHLLOKOSA-N 1 2 343.402 3.494 10 30 EGEELO N#Cc1ccc(OC2CCC(Nc3cc[nH+]c(C4CC4)n3)CC2)nc1 ZINC000121621349 454459065 /nfs/dbraw/zinc/45/90/65/454459065.db2.gz PZJLBSCGYQNTSM-UHFFFAOYSA-N 1 2 335.411 3.423 10 30 EGEELO C#CCOc1ccc(C[N@@H+]2CCO[C@H](c3nc(C)cs3)C2)cc1 ZINC000092790110 454633213 /nfs/dbraw/zinc/63/32/13/454633213.db2.gz RIFLWCZMZIAQSF-KRWDZBQOSA-N 1 2 328.437 3.037 10 30 EGEELO C#CCOc1ccc(C[N@H+]2CCO[C@H](c3nc(C)cs3)C2)cc1 ZINC000092790110 454633219 /nfs/dbraw/zinc/63/32/19/454633219.db2.gz RIFLWCZMZIAQSF-KRWDZBQOSA-N 1 2 328.437 3.037 10 30 EGEELO C=CCCCN(C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869942 454649855 /nfs/dbraw/zinc/64/98/55/454649855.db2.gz FUBHSZUHZHKBOS-QGZVFWFLSA-N 1 2 326.444 3.312 10 30 EGEELO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc(C)c2ccccc2n1 ZINC000107896767 454776187 /nfs/dbraw/zinc/77/61/87/454776187.db2.gz FPZQDWNYWMEKTA-UHFFFAOYSA-N 1 2 346.434 3.459 10 30 EGEELO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc(C)c2ccccc2n1 ZINC000107896767 454776191 /nfs/dbraw/zinc/77/61/91/454776191.db2.gz FPZQDWNYWMEKTA-UHFFFAOYSA-N 1 2 346.434 3.459 10 30 EGEELO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177018930 454812039 /nfs/dbraw/zinc/81/20/39/454812039.db2.gz NQKMHVANXIVZHD-GOSISDBHSA-N 1 2 342.826 3.065 10 30 EGEELO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177018930 454812042 /nfs/dbraw/zinc/81/20/42/454812042.db2.gz NQKMHVANXIVZHD-GOSISDBHSA-N 1 2 342.826 3.065 10 30 EGEELO CC(C)c1nc([C@H]2CCCN2Cc2c[nH+]c3ccc(C#N)cn23)no1 ZINC000127797566 454998732 /nfs/dbraw/zinc/99/87/32/454998732.db2.gz SJPLVIMQWOIGOC-OAHLLOKOSA-N 1 2 336.399 3.049 10 30 EGEELO C=CCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245583238 455334864 /nfs/dbraw/zinc/33/48/64/455334864.db2.gz IFBBJGCIRAWMPX-HUUCEWRRSA-N 1 2 325.815 3.100 10 30 EGEELO C=CCNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245583238 455334870 /nfs/dbraw/zinc/33/48/70/455334870.db2.gz IFBBJGCIRAWMPX-HUUCEWRRSA-N 1 2 325.815 3.100 10 30 EGEELO C[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245722370 455364306 /nfs/dbraw/zinc/36/43/06/455364306.db2.gz WKENFITVACMVOY-DLBZAZTESA-N 1 2 347.409 3.300 10 30 EGEELO C[N@H+]1CC[C@H](NC(=O)C2(C#N)CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245722370 455364307 /nfs/dbraw/zinc/36/43/07/455364307.db2.gz WKENFITVACMVOY-DLBZAZTESA-N 1 2 347.409 3.300 10 30 EGEELO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc2c(c1)OCO2 ZINC000182268889 455476945 /nfs/dbraw/zinc/47/69/45/455476945.db2.gz MMEUQUIGZBTBAM-LBPRGKRZSA-N 1 2 348.362 3.188 10 30 EGEELO C#CCOc1ccccc1C[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000185874103 455639934 /nfs/dbraw/zinc/63/99/34/455639934.db2.gz UFRMQFKOTPKMNY-UHFFFAOYSA-N 1 2 329.403 3.445 10 30 EGEELO N#CCCCOc1ccc[nH+]c1NCc1ccnn1CC1CCC1 ZINC000601065963 460697204 /nfs/dbraw/zinc/69/72/04/460697204.db2.gz DUHVSWVOAMLIDT-UHFFFAOYSA-N 1 2 325.416 3.373 10 30 EGEELO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000272502618 455972349 /nfs/dbraw/zinc/97/23/49/455972349.db2.gz DWAUPZKKIVTSGD-UHFFFAOYSA-N 1 2 340.471 3.241 10 30 EGEELO CC1(C#N)CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000272631926 456019890 /nfs/dbraw/zinc/01/98/90/456019890.db2.gz WKNKEKPCDOSKRV-UHFFFAOYSA-N 1 2 334.423 3.363 10 30 EGEELO C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(F)F)cc1OC ZINC000289876106 456164139 /nfs/dbraw/zinc/16/41/39/456164139.db2.gz VXILMIVAIMXZBD-CQSZACIVSA-N 1 2 327.371 3.116 10 30 EGEELO C=CCOc1ccc(C[N@H+]2CCOC[C@H]2CC(F)F)cc1OC ZINC000289876106 456164143 /nfs/dbraw/zinc/16/41/43/456164143.db2.gz VXILMIVAIMXZBD-CQSZACIVSA-N 1 2 327.371 3.116 10 30 EGEELO CC1(C#N)CC[NH+](C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000274856951 456265906 /nfs/dbraw/zinc/26/59/06/456265906.db2.gz SMTMTLZGFOBKKR-CQSZACIVSA-N 1 2 341.224 3.247 10 30 EGEELO CC(=O)c1ccc(C#N)cc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302122877 456292050 /nfs/dbraw/zinc/29/20/50/456292050.db2.gz VEQGMVOYRACPBB-IBGZPJMESA-N 1 2 349.434 3.074 10 30 EGEELO CC(=O)c1ccc(C#N)cc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302122877 456292054 /nfs/dbraw/zinc/29/20/54/456292054.db2.gz VEQGMVOYRACPBB-IBGZPJMESA-N 1 2 349.434 3.074 10 30 EGEELO N#Cc1ccc(C[NH2+]Cc2nccn2C(F)F)c(C(F)(F)F)c1 ZINC000352834147 456349879 /nfs/dbraw/zinc/34/98/79/456349879.db2.gz LAQINFJGXDBCTD-UHFFFAOYSA-N 1 2 330.260 3.458 10 30 EGEELO COC(=O)C[C@](C)([NH2+]Cc1ccccc1C#N)c1cccc(F)c1 ZINC000353140972 456518187 /nfs/dbraw/zinc/51/81/87/456518187.db2.gz BYSLNIBNFLJKLJ-IBGZPJMESA-N 1 2 326.371 3.265 10 30 EGEELO N#C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000340561322 456532260 /nfs/dbraw/zinc/53/22/60/456532260.db2.gz LIUXKNOFPAVIAK-SFHVURJKSA-N 1 2 334.354 3.065 10 30 EGEELO Cc1csc(C2([NH2+][C@H](C)C(=O)Nc3ccccc3C#N)CCC2)n1 ZINC000299599213 456739634 /nfs/dbraw/zinc/73/96/34/456739634.db2.gz LCSLSMDARLODOE-CYBMUJFWSA-N 1 2 340.452 3.319 10 30 EGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCc3ccccc31)C2 ZINC000329273502 456865380 /nfs/dbraw/zinc/86/53/80/456865380.db2.gz JYZOEHNLQFAJCU-HNNXBMFYSA-N 1 2 338.455 3.472 10 30 EGEELO Cc1cn2cc(NC(=O)N3CCO[C@@H](C4CCCCC4)C3)ccc2[nH+]1 ZINC000329655406 456922308 /nfs/dbraw/zinc/92/23/08/456922308.db2.gz FRVDNRKBGAMLNV-QGZVFWFLSA-N 1 2 342.443 3.469 10 30 EGEELO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1c1cccs1 ZINC000329740997 456934704 /nfs/dbraw/zinc/93/47/04/456934704.db2.gz VSJMLIGATFFHRP-IAQYHMDHSA-N 1 2 330.457 3.326 10 30 EGEELO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1c1cccs1 ZINC000329740997 456934708 /nfs/dbraw/zinc/93/47/08/456934708.db2.gz VSJMLIGATFFHRP-IAQYHMDHSA-N 1 2 330.457 3.326 10 30 EGEELO C=CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000345354060 456975442 /nfs/dbraw/zinc/97/54/42/456975442.db2.gz 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342.483 3.441 10 30 EGEELO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)c(C)c2)CCC1 ZINC001323301844 1387328406 /nfs/dbraw/zinc/32/84/06/1387328406.db2.gz LMRJEBHXMJFYSZ-SFHVURJKSA-N 1 2 342.483 3.441 10 30 EGEELO C=CCC1(C(=O)NCC2([NH2+]Cc3ncc(C)cn3)CC2)CCCCC1 ZINC001323616587 1387408176 /nfs/dbraw/zinc/40/81/76/1387408176.db2.gz MREDKPHMENSDAE-UHFFFAOYSA-N 1 2 342.487 3.050 10 30 EGEELO C=CC[C@@H](C(=O)NCC1([NH2+]Cc2ncc(C)o2)CC1)c1ccccc1 ZINC001323616663 1387408225 /nfs/dbraw/zinc/40/82/25/1387408225.db2.gz NCQYWPLCHRGQIE-QGZVFWFLSA-N 1 2 339.439 3.081 10 30 EGEELO Cc1cc(Cl)cc(C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)c1 ZINC001323733847 1387435609 /nfs/dbraw/zinc/43/56/09/1387435609.db2.gz OXDATFDMLCXCOB-UHFFFAOYSA-N 1 2 345.874 3.489 10 30 EGEELO Cc1cc(Cl)cc(C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)c1 ZINC001323733847 1387435612 /nfs/dbraw/zinc/43/56/12/1387435612.db2.gz OXDATFDMLCXCOB-UHFFFAOYSA-N 1 2 345.874 3.489 10 30 EGEELO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)c1cnc(C)cn1 ZINC001323789128 1387452261 /nfs/dbraw/zinc/45/22/61/1387452261.db2.gz SMDSWFLOXANACT-KURKYZTESA-N 1 2 342.487 3.268 10 30 EGEELO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)c1cnc(C)cn1 ZINC001323789128 1387452265 /nfs/dbraw/zinc/45/22/65/1387452265.db2.gz SMDSWFLOXANACT-KURKYZTESA-N 1 2 342.487 3.268 10 30 EGEELO C=C[C@](C)(CC)C(=O)N(C)C1C[NH+](Cc2ccc(OC)c(C)c2)C1 ZINC001323977764 1387502608 /nfs/dbraw/zinc/50/26/08/1387502608.db2.gz CCGNMPLKCNIFMK-HXUWFJFHSA-N 1 2 330.472 3.249 10 30 EGEELO C=CCC(CC=C)C(=O)NC1(C)CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001324318590 1387590287 /nfs/dbraw/zinc/59/02/87/1387590287.db2.gz NEHGPSMNBVMHKD-CQSZACIVSA-N 1 2 346.475 3.178 10 30 EGEELO C=CCCC(=O)N1CCCC[C@@]2(CC[N@@H+]([C@@H](C)c3csnn3)C2)C1 ZINC001324550635 1387669464 /nfs/dbraw/zinc/66/94/64/1387669464.db2.gz WMHBLLRVMXGCBU-YJBOKZPZSA-N 1 2 348.516 3.270 10 30 EGEELO C=CCCC(=O)N1CCCC[C@@]2(CC[N@H+]([C@@H](C)c3csnn3)C2)C1 ZINC001324550635 1387669467 /nfs/dbraw/zinc/66/94/67/1387669467.db2.gz 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343.446 3.358 10 30 EGEELO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001733600335 1429801709 /nfs/dbraw/zinc/80/17/09/1429801709.db2.gz QVVMASIERVGNSZ-HZPDHXFCSA-N 1 2 333.501 3.311 10 30 EGEELO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001733600335 1429801716 /nfs/dbraw/zinc/80/17/16/1429801716.db2.gz QVVMASIERVGNSZ-HZPDHXFCSA-N 1 2 333.501 3.311 10 30 EGEELO C=CCC(CC=C)C(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ncccn1 ZINC001733927792 1437740972 /nfs/dbraw/zinc/74/09/72/1437740972.db2.gz DLJODCBAVWTWQY-FUHWJXTLSA-N 1 2 342.487 3.229 10 30 EGEELO C=CCC(CC=C)C(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](C)c1ncccn1 ZINC001733927792 1437740975 /nfs/dbraw/zinc/74/09/75/1437740975.db2.gz DLJODCBAVWTWQY-FUHWJXTLSA-N 1 2 342.487 3.229 10 30 EGEELO C=CCCC(=O)NC[C@H](C)[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC001734033467 1437821218 /nfs/dbraw/zinc/82/12/18/1437821218.db2.gz WSWLLGQPTOZRLS-ZDUSSCGKSA-N 1 2 333.457 3.306 10 30 EGEELO C=CCCC(=O)NC[C@H](C)[N@@H+](C)Cc1csc(-c2ccoc2)n1 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ZAUJRIQVOHZDMM-ICSRJNTNSA-N 1 2 336.520 3.472 10 30 EGEELO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)C(C)(C)C1 ZINC001734140324 1437910216 /nfs/dbraw/zinc/91/02/16/1437910216.db2.gz APQHZJJYUUAXRI-GWJCSSMESA-N 1 2 343.309 3.324 10 30 EGEELO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)C(C)(C)C1 ZINC001734140324 1437910218 /nfs/dbraw/zinc/91/02/18/1437910218.db2.gz APQHZJJYUUAXRI-GWJCSSMESA-N 1 2 343.309 3.324 10 30 EGEELO C=CCC1(C(=O)NCC2[C@H]3C[N@H+](C/C(Cl)=C/Cl)C[C@@H]23)CCC1 ZINC001734166422 1437925680 /nfs/dbraw/zinc/92/56/80/1437925680.db2.gz CAAJRCUPSWEVKB-ALKFOKLCSA-N 1 2 343.298 3.346 10 30 EGEELO C=CCC1(C(=O)NCC2[C@H]3C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]23)CCC1 ZINC001734166422 1437925681 /nfs/dbraw/zinc/92/56/81/1437925681.db2.gz CAAJRCUPSWEVKB-ALKFOKLCSA-N 1 2 343.298 3.346 10 30 EGEELO C=CCCC(=O)N1CC2(C1)CCC[N@H+](Cc1csc(C3CC3)n1)C2 ZINC001734194738 1437936145 /nfs/dbraw/zinc/93/61/45/1437936145.db2.gz SBADNTXLXHAAPO-UHFFFAOYSA-N 1 2 345.512 3.411 10 30 EGEELO C=CCCC(=O)N1CC2(C1)CCC[N@@H+](Cc1csc(C3CC3)n1)C2 ZINC001734194738 1437936147 /nfs/dbraw/zinc/93/61/47/1437936147.db2.gz SBADNTXLXHAAPO-UHFFFAOYSA-N 1 2 345.512 3.411 10 30 EGEELO C=C1CCN(c2nnc(C(C)C)n2CCCNc2cccc[nH+]2)CC1 ZINC001740818703 1439498624 /nfs/dbraw/zinc/49/86/24/1439498624.db2.gz RBPBMGBAIRXUAB-UHFFFAOYSA-N 1 2 340.475 3.455 10 30 EGEELO C=C[C@@H](CC)CC(=O)NC[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001746634812 1439916458 /nfs/dbraw/zinc/91/64/58/1439916458.db2.gz KSGISFKVMJJDEI-DYVFJYSZSA-N 1 2 345.487 3.091 10 30 EGEELO C=CCCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2noc(C)n2)CC(C)(C)C1 ZINC001750941434 1440116593 /nfs/dbraw/zinc/11/65/93/1440116593.db2.gz HOCVVKJDZPYYQO-UKRRQHHQSA-N 1 2 334.464 3.012 10 30 EGEELO C=CCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2noc(C)n2)CC(C)(C)C1 ZINC001750941434 1440116595 /nfs/dbraw/zinc/11/65/95/1440116595.db2.gz HOCVVKJDZPYYQO-UKRRQHHQSA-N 1 2 334.464 3.012 10 30 EGEELO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125402773 205009591 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N#Cc1ccccc1-c1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC000358684098 166934365 /nfs/dbraw/zinc/93/43/65/166934365.db2.gz PUYMABMPBRUBPU-UHFFFAOYSA-N 1 2 330.391 3.128 10 30 EGEELO N#Cc1ccc2ncc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)n2c1 ZINC000367048345 168172781 /nfs/dbraw/zinc/17/27/81/168172781.db2.gz UDIGPQYTIBVNNS-NRFANRHFSA-N 1 2 339.402 3.480 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCc3c1cccc3C#N)C2 ZINC000421974367 270048734 /nfs/dbraw/zinc/04/87/34/270048734.db2.gz UNVJTDDDAUOKJH-CYBMUJFWSA-N 1 2 334.423 3.099 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCc3c1cccc3C#N)CC2 ZINC000421974367 270048735 /nfs/dbraw/zinc/04/87/35/270048735.db2.gz UNVJTDDDAUOKJH-CYBMUJFWSA-N 1 2 334.423 3.099 10 30 EGEELO N#Cc1ccc2[nH+]cc(CN3CC(OCCCc4ccccc4)C3)n2c1 ZINC000459589424 270054581 /nfs/dbraw/zinc/05/45/81/270054581.db2.gz IQOQAIVYPPAEAN-UHFFFAOYSA-N 1 2 346.434 3.040 10 30 EGEELO CCCCCC(=O)NC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000489562970 267000447 /nfs/dbraw/zinc/00/04/47/267000447.db2.gz AKXXWCYZSXBEQG-UHFFFAOYSA-N 1 2 331.435 3.358 10 30 EGEELO CCOc1ccc(C[N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459302391 267170022 /nfs/dbraw/zinc/17/00/22/267170022.db2.gz KFKHJWKMYCOFDR-UHFFFAOYSA-N 1 2 325.368 3.497 10 30 EGEELO CCOc1ccc(C[N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459302391 267170025 /nfs/dbraw/zinc/17/00/25/267170025.db2.gz KFKHJWKMYCOFDR-UHFFFAOYSA-N 1 2 325.368 3.497 10 30 EGEELO C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175153720 267173521 /nfs/dbraw/zinc/17/35/21/267173521.db2.gz XHEBAFVCQHPMRZ-HNNXBMFYSA-N 1 2 345.406 3.304 10 30 EGEELO C[C@H](c1ccc(F)cc1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000179118292 267208319 /nfs/dbraw/zinc/20/83/19/267208319.db2.gz WQZBIGSQVLMYHG-CQSZACIVSA-N 1 2 346.427 3.164 10 30 EGEELO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000179118292 267208321 /nfs/dbraw/zinc/20/83/21/267208321.db2.gz WQZBIGSQVLMYHG-CQSZACIVSA-N 1 2 346.427 3.164 10 30 EGEELO CC[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000459409659 267221845 /nfs/dbraw/zinc/22/18/45/267221845.db2.gz RMIQOTLPPAXFMB-HNNXBMFYSA-N 1 2 327.388 3.058 10 30 EGEELO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCN(c2ccccc2)C1=O ZINC000439454407 267315180 /nfs/dbraw/zinc/31/51/80/267315180.db2.gz RFQWRPOZNPDQDK-GOSISDBHSA-N 1 2 339.826 3.449 10 30 EGEELO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCN(c2ccccc2)C1=O ZINC000439454407 267315181 /nfs/dbraw/zinc/31/51/81/267315181.db2.gz RFQWRPOZNPDQDK-GOSISDBHSA-N 1 2 339.826 3.449 10 30 EGEELO Cn1cc(C#N)cc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425563198 268125539 /nfs/dbraw/zinc/12/55/39/268125539.db2.gz DJYKISKOECSZKI-UHFFFAOYSA-N 1 2 345.406 3.349 10 30 EGEELO N#Cc1c(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cn2ccccc12 ZINC000451264822 268158957 /nfs/dbraw/zinc/15/89/57/268158957.db2.gz NMHOVPLJVVQQQY-CTNGQTDRSA-N 1 2 349.409 3.111 10 30 EGEELO N#Cc1c(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cn2ccccc12 ZINC000451264822 268158958 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C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)nc3)C2)CCCCC1 ZINC001479972293 1392508948 /nfs/dbraw/zinc/50/89/48/1392508948.db2.gz QHUKETXRNJZZFC-SFHVURJKSA-N 1 2 342.487 3.002 10 30 EGEELO C=CCC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2noc(C)n2)C1 ZINC001480084515 1392574119 /nfs/dbraw/zinc/57/41/19/1392574119.db2.gz KEJUHFMBGKCEFI-HOCLYGCPSA-N 1 2 348.491 3.212 10 30 EGEELO C=CCC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)[C@@H](C)c2noc(C)n2)C1 ZINC001480084515 1392574121 /nfs/dbraw/zinc/57/41/21/1392574121.db2.gz KEJUHFMBGKCEFI-HOCLYGCPSA-N 1 2 348.491 3.212 10 30 EGEELO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC001480253047 1392638674 /nfs/dbraw/zinc/63/86/74/1392638674.db2.gz DWBAPOJMZRYMGB-CVEARBPZSA-N 1 2 348.491 3.439 10 30 EGEELO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC001480253047 1392638675 /nfs/dbraw/zinc/63/86/75/1392638675.db2.gz DWBAPOJMZRYMGB-CVEARBPZSA-N 1 2 348.491 3.439 10 30 EGEELO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1 ZINC001480313323 1392674889 /nfs/dbraw/zinc/67/48/89/1392674889.db2.gz SSLCHIAIHCIVLG-RYUDHWBXSA-N 1 2 325.865 3.032 10 30 EGEELO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)s1 ZINC001480313323 1392674892 /nfs/dbraw/zinc/67/48/92/1392674892.db2.gz SSLCHIAIHCIVLG-RYUDHWBXSA-N 1 2 325.865 3.032 10 30 EGEELO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCC[N@@H+]1CC=C(Cl)Cl ZINC001481050259 1393106315 /nfs/dbraw/zinc/10/63/15/1393106315.db2.gz NDRUBJNOAAOLLO-CZUORRHYSA-N 1 2 349.302 3.115 10 30 EGEELO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCC[N@H+]1CC=C(Cl)Cl ZINC001481050259 1393106317 /nfs/dbraw/zinc/10/63/17/1393106317.db2.gz NDRUBJNOAAOLLO-CZUORRHYSA-N 1 2 349.302 3.115 10 30 EGEELO C=CCCCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)c1nc(C(C)C)no1 ZINC001481054528 1393108130 /nfs/dbraw/zinc/10/81/30/1393108130.db2.gz NLKKVASDULFLMT-GJZGRUSLSA-N 1 2 334.464 3.191 10 30 EGEELO C=CCCCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)c1nc(C(C)C)no1 ZINC001481054528 1393108131 /nfs/dbraw/zinc/10/81/31/1393108131.db2.gz NLKKVASDULFLMT-GJZGRUSLSA-N 1 2 334.464 3.191 10 30 EGEELO C=CCCC(=O)N[C@H]1CC12CC[NH+](Cc1nc(C(C)C)ns1)CC2 ZINC001490587864 1394276543 /nfs/dbraw/zinc/27/65/43/1394276543.db2.gz PINWDSWSJCLSOV-AWEZNQCLSA-N 1 2 348.516 3.098 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC001481536737 1394395682 /nfs/dbraw/zinc/39/56/82/1394395682.db2.gz KRIFKDKZJKEOKI-INIZCTEOSA-N 1 2 333.863 3.009 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC001481536737 1394395686 /nfs/dbraw/zinc/39/56/86/1394395686.db2.gz KRIFKDKZJKEOKI-INIZCTEOSA-N 1 2 333.863 3.009 10 30 EGEELO CC(C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)=C1CCC1 ZINC001481624454 1394423741 /nfs/dbraw/zinc/42/37/41/1394423741.db2.gz YHFMIXJNTQQMIG-UHFFFAOYSA-N 1 2 342.870 3.240 10 30 EGEELO C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1F ZINC001481670625 1394439332 /nfs/dbraw/zinc/43/93/32/1394439332.db2.gz IRYMSCLGZQRFPP-ROUUACIJSA-N 1 2 328.431 3.379 10 30 EGEELO C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1F ZINC001481670625 1394439334 /nfs/dbraw/zinc/43/93/34/1394439334.db2.gz IRYMSCLGZQRFPP-ROUUACIJSA-N 1 2 328.431 3.379 10 30 EGEELO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1C=CCC1 ZINC001491197371 1394466688 /nfs/dbraw/zinc/46/66/88/1394466688.db2.gz URIJWXUEKYODEI-LSDHHAIUSA-N 1 2 341.293 3.222 10 30 EGEELO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1C=CCC1 ZINC001491197371 1394466692 /nfs/dbraw/zinc/46/66/92/1394466692.db2.gz URIJWXUEKYODEI-LSDHHAIUSA-N 1 2 341.293 3.222 10 30 EGEELO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1CNC(=O)CCC1CC1 ZINC001491202972 1394469465 /nfs/dbraw/zinc/46/94/65/1394469465.db2.gz DRCONOHBXVUPPY-IBGZPJMESA-N 1 2 343.446 3.358 10 30 EGEELO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1CNC(=O)CCC1CC1 ZINC001491202972 1394469469 /nfs/dbraw/zinc/46/94/69/1394469469.db2.gz DRCONOHBXVUPPY-IBGZPJMESA-N 1 2 343.446 3.358 10 30 EGEELO C#CCCCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC001481720594 1394474778 /nfs/dbraw/zinc/47/47/78/1394474778.db2.gz BVHOLHYWACDFLU-QGZVFWFLSA-N 1 2 345.512 3.247 10 30 EGEELO C#CCCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC001481720594 1394474782 /nfs/dbraw/zinc/47/47/82/1394474782.db2.gz BVHOLHYWACDFLU-QGZVFWFLSA-N 1 2 345.512 3.247 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(CCOCC)CCCC2)C1 ZINC001481743004 1394489053 /nfs/dbraw/zinc/48/90/53/1394489053.db2.gz JKTRMFBNCZCHNE-MRXNPFEDSA-N 1 2 342.911 3.259 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(CCOCC)CCCC2)C1 ZINC001481743004 1394489056 /nfs/dbraw/zinc/48/90/56/1394489056.db2.gz JKTRMFBNCZCHNE-MRXNPFEDSA-N 1 2 342.911 3.259 10 30 EGEELO C#CCCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC001481763480 1394506073 /nfs/dbraw/zinc/50/60/73/1394506073.db2.gz DNYIHNOZDRCHRI-KRWDZBQOSA-N 1 2 345.512 3.247 10 30 EGEELO C#CCCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC001481763480 1394506075 /nfs/dbraw/zinc/50/60/75/1394506075.db2.gz DNYIHNOZDRCHRI-KRWDZBQOSA-N 1 2 345.512 3.247 10 30 EGEELO C=CCC(C)(C)C(=O)NCC1([NH2+]Cc2noc(C3CC3)n2)CCCC1 ZINC001482231875 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C=CCCOCC(=O)N(C)C1C[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC001733316949 1429503196 /nfs/dbraw/zinc/50/31/96/1429503196.db2.gz IVMPLKXJEGOVON-SFHVURJKSA-N 1 2 334.435 3.012 10 30 EGEELO CCCc1nc(C[NH+]2CCC(C)(NC(=O)C#CC(C)C)CC2)cs1 ZINC001733358772 1429541118 /nfs/dbraw/zinc/54/11/18/1429541118.db2.gz SQVZHDPPFNRBQS-UHFFFAOYSA-N 1 2 347.528 3.226 10 30 EGEELO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001733388865 1429577239 /nfs/dbraw/zinc/57/72/39/1429577239.db2.gz UBTKFJXTGJOLMS-CVEARBPZSA-N 1 2 329.444 3.084 10 30 EGEELO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(C2CC2)o1 ZINC001733388865 1429577246 /nfs/dbraw/zinc/57/72/46/1429577246.db2.gz UBTKFJXTGJOLMS-CVEARBPZSA-N 1 2 329.444 3.084 10 30 EGEELO C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C)on2)CCC1 ZINC001733391540 1429581319 /nfs/dbraw/zinc/58/13/19/1429581319.db2.gz JNLSGLZOTVROAW-MSOLQXFVSA-N 1 2 343.471 3.295 10 30 EGEELO C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C)on2)CCC1 ZINC001733391540 1429581324 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C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)c2nnc(CC)o2)CCC1 ZINC001731834074 1428048217 /nfs/dbraw/zinc/04/82/17/1428048217.db2.gz JQTZHAVNPFXJGG-GJZGRUSLSA-N 1 2 346.475 3.020 10 30 EGEELO C[C@@]1(C(=O)NCC[N@H+](Cc2cc(F)ccc2C#N)C2CC2)C=CCC1 ZINC001731879158 1428147005 /nfs/dbraw/zinc/14/70/05/1428147005.db2.gz LHYKMCZCJKNNNK-HXUWFJFHSA-N 1 2 341.430 3.134 10 30 EGEELO C[C@@]1(C(=O)NCC[N@@H+](Cc2cc(F)ccc2C#N)C2CC2)C=CCC1 ZINC001731879158 1428147008 /nfs/dbraw/zinc/14/70/08/1428147008.db2.gz LHYKMCZCJKNNNK-HXUWFJFHSA-N 1 2 341.430 3.134 10 30 EGEELO C=CCC1(C(=O)N(C)CC[NH2+][C@H](C)c2nc(C)no2)CCCCC1 ZINC001731986224 1428197068 /nfs/dbraw/zinc/19/70/68/1428197068.db2.gz JVFPRTDFTYGXIU-CQSZACIVSA-N 1 2 334.464 3.014 10 30 EGEELO C=CC(C)(C)CC(=O)NCc1ccc([C@H](C)[NH2+]Cc2cnon2)cc1 ZINC001733681400 1429891831 /nfs/dbraw/zinc/89/18/31/1429891831.db2.gz DNBUNSMIYDGCCO-AWEZNQCLSA-N 1 2 342.443 3.139 10 30 EGEELO C=C(C)CCC(=O)N1CCOC2(C[NH+]([C@H](C)c3cccc(C)c3)C2)C1 ZINC001733785570 1430053430 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C#CCCCCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC001733930345 1437743697 /nfs/dbraw/zinc/74/36/97/1437743697.db2.gz XOOQVZYEPKNFIG-KRWDZBQOSA-N 1 2 343.471 3.168 10 30 EGEELO C#CCCCCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC001733930345 1437743699 /nfs/dbraw/zinc/74/36/99/1437743699.db2.gz XOOQVZYEPKNFIG-KRWDZBQOSA-N 1 2 343.471 3.168 10 30 EGEELO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@]1(C)CCc2ccccc2C1 ZINC001734067380 1437862428 /nfs/dbraw/zinc/86/24/28/1437862428.db2.gz NRFBJHBPXWVKGA-HNAYVOBHSA-N 1 2 334.891 3.371 10 30 EGEELO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@]1(C)CCc2ccccc2C1 ZINC001734067380 1437862430 /nfs/dbraw/zinc/86/24/30/1437862430.db2.gz NRFBJHBPXWVKGA-HNAYVOBHSA-N 1 2 334.891 3.371 10 30 EGEELO C=C1CCC(C(=O)N[C@@H](CCCC)C[NH2+]Cc2cnsn2)CC1 ZINC001734096890 1437880705 /nfs/dbraw/zinc/88/07/05/1437880705.db2.gz PFQWPUJURSWWFB-HNNXBMFYSA-N 1 2 336.505 3.049 10 30 EGEELO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)CCCCCCCC)C2)C1 ZINC001734139761 1437909627 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144090003 /nfs/dbraw/zinc/09/00/03/144090003.db2.gz HTQDRRUTVXNXIS-HXUWFJFHSA-N 1 2 346.434 3.040 10 30 EGEELO N#Cc1ccc2ncc(C[N@@H+]3CCO[C@H](CCc4ccccc4)C3)n2c1 ZINC000184245820 144090004 /nfs/dbraw/zinc/09/00/04/144090004.db2.gz HTQDRRUTVXNXIS-HXUWFJFHSA-N 1 2 346.434 3.040 10 30 EGEELO N#Cc1ccc2ncc(C[N@H+]3CCO[C@H](CCc4ccccc4)C3)n2c1 ZINC000184245820 144090005 /nfs/dbraw/zinc/09/00/05/144090005.db2.gz HTQDRRUTVXNXIS-HXUWFJFHSA-N 1 2 346.434 3.040 10 30 EGEELO N#Cc1cc(Cl)cc(Br)c1NCCn1cc[nH+]c1 ZINC000341351904 155248888 /nfs/dbraw/zinc/24/88/88/155248888.db2.gz CYNPRRWVQBLVPI-UHFFFAOYSA-N 1 2 325.597 3.283 10 30 EGEELO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)cc1 ZINC000120220944 152260822 /nfs/dbraw/zinc/26/08/22/152260822.db2.gz SRJGHYMFMNFPMM-QGZVFWFLSA-N 1 2 341.436 3.231 10 30 EGEELO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)cc1 ZINC000120220944 152260824 /nfs/dbraw/zinc/26/08/24/152260824.db2.gz SRJGHYMFMNFPMM-QGZVFWFLSA-N 1 2 341.436 3.231 10 30 EGEELO N#Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)nc2ccccc12 ZINC000346405068 164381716 /nfs/dbraw/zinc/38/17/16/164381716.db2.gz RXAYVUZDDAMMIZ-UHFFFAOYSA-N 1 2 329.407 3.004 10 30 EGEELO C[C@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000285532188 269890892 /nfs/dbraw/zinc/89/08/92/269890892.db2.gz CPUMYJOKZMNWAL-LRDDRELGSA-N 1 2 328.803 3.131 10 30 EGEELO N#Cc1ccc2[nH+]cc(/C=C3/COc4c(F)ccc(F)c4C3=O)n2c1 ZINC000181475895 270038657 /nfs/dbraw/zinc/03/86/57/270038657.db2.gz AVSHYKIMZBGUQE-WZUFQYTHSA-N 1 2 337.285 3.143 10 30 EGEELO N#Cc1cccc(N2CC[NH+](Cc3ccc(Cl)cc3F)CC2)n1 ZINC000437960700 270051664 /nfs/dbraw/zinc/05/16/64/270051664.db2.gz GOLQTWRCCJEYEN-UHFFFAOYSA-N 1 2 330.794 3.068 10 30 EGEELO CC(C)c1[nH+]c2ccccc2n1Cc1noc(-c2cc(C#N)cn2C)n1 ZINC000445666529 270052333 /nfs/dbraw/zinc/05/23/33/270052333.db2.gz VFPLXXJIWWOXKA-UHFFFAOYSA-N 1 2 346.394 3.468 10 30 EGEELO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459319554 267070457 /nfs/dbraw/zinc/07/04/57/267070457.db2.gz XAMFLENRRJWQFH-UHFFFAOYSA-N 1 2 339.351 3.217 10 30 EGEELO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459319554 267070462 /nfs/dbraw/zinc/07/04/62/267070462.db2.gz XAMFLENRRJWQFH-UHFFFAOYSA-N 1 2 339.351 3.217 10 30 EGEELO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000456392141 267256562 /nfs/dbraw/zinc/25/65/62/267256562.db2.gz PNVHARIIEQXHFO-RHSMWYFYSA-N 1 2 340.427 3.055 10 30 EGEELO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC4(CCC4)[C@@H]3c3ccco3)C2=O)cc1 ZINC000451853981 268235664 /nfs/dbraw/zinc/23/56/64/268235664.db2.gz MLSTURBZIANSKG-HKUYNNGSSA-N 1 2 347.418 3.484 10 30 EGEELO N#Cc1ccc(N2CC[C@H]([N@H+]3CC4(CCC4)[C@@H]3c3ccco3)C2=O)cc1 ZINC000451853981 268235665 /nfs/dbraw/zinc/23/56/65/268235665.db2.gz MLSTURBZIANSKG-HKUYNNGSSA-N 1 2 347.418 3.484 10 30 EGEELO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1[N+](=O)[O-] ZINC000342296493 278360324 /nfs/dbraw/zinc/36/03/24/278360324.db2.gz QZODGDJMOHYSFH-GFCCVEGCSA-N 1 2 349.350 3.367 10 30 EGEELO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(F)cc1 ZINC000003542026 452780307 /nfs/dbraw/zinc/78/03/07/452780307.db2.gz GTMDLOGTKILXHF-UHFFFAOYSA-N 1 2 331.778 3.421 10 30 EGEELO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(F)cc1 ZINC000003542026 452780318 /nfs/dbraw/zinc/78/03/18/452780318.db2.gz GTMDLOGTKILXHF-UHFFFAOYSA-N 1 2 331.778 3.421 10 30 EGEELO N#CC1(C[C@H](O)CNc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000600741135 460587006 /nfs/dbraw/zinc/58/70/06/460587006.db2.gz CBNJBNYJNHCGGA-INIZCTEOSA-N 1 2 334.423 3.068 10 30 EGEELO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1cn2ccccc2c1C#N ZINC000078389879 454246402 /nfs/dbraw/zinc/24/64/02/454246402.db2.gz GRTSNOQTIGGYNF-AWEZNQCLSA-N 1 2 345.406 3.002 10 30 EGEELO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000072692843 454329940 /nfs/dbraw/zinc/32/99/40/454329940.db2.gz VBPRGBPUGIOSIO-UHFFFAOYSA-N 1 2 340.471 3.275 10 30 EGEELO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000072692843 454329942 /nfs/dbraw/zinc/32/99/42/454329942.db2.gz 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10 30 EGEELO N#CCCC[C@@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000431371121 458562776 /nfs/dbraw/zinc/56/27/76/458562776.db2.gz VGSBVRTZAWPWIN-JKSUJKDBSA-N 1 2 337.427 3.001 10 30 EGEELO N#CCCC[C@@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000431371121 458562780 /nfs/dbraw/zinc/56/27/80/458562780.db2.gz VGSBVRTZAWPWIN-JKSUJKDBSA-N 1 2 337.427 3.001 10 30 EGEELO C=CCC1(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)CCOCC1 ZINC000424625389 458687004 /nfs/dbraw/zinc/68/70/04/458687004.db2.gz KRAQZLZNFSOSBE-UHFFFAOYSA-N 1 2 332.444 3.038 10 30 EGEELO C=CCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000472775272 458808565 /nfs/dbraw/zinc/80/85/65/458808565.db2.gz UVEINLRKPZJVOA-DLBZAZTESA-N 1 2 337.414 3.366 10 30 EGEELO C=CCCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000472775272 458808571 /nfs/dbraw/zinc/80/85/71/458808571.db2.gz UVEINLRKPZJVOA-DLBZAZTESA-N 1 2 337.414 3.366 10 30 EGEELO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000441448079 458944851 /nfs/dbraw/zinc/94/48/51/458944851.db2.gz KFCXXHXTLUNCCH-UYAOXDASSA-N 1 2 342.483 3.266 10 30 EGEELO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000441448079 458944856 /nfs/dbraw/zinc/94/48/56/458944856.db2.gz KFCXXHXTLUNCCH-UYAOXDASSA-N 1 2 342.483 3.266 10 30 EGEELO C=CCCO[C@@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441493313 458954407 /nfs/dbraw/zinc/95/44/07/458954407.db2.gz ASQSYPLBHYRDGH-HKUYNNGSSA-N 1 2 341.455 3.339 10 30 EGEELO CO[C@H]1CCOc2c(NCc3c[nH+]c4ccc(C#N)cn34)cccc21 ZINC000577481668 459039177 /nfs/dbraw/zinc/03/91/77/459039177.db2.gz XOFDPHGLNMNGPN-KRWDZBQOSA-N 1 2 334.379 3.288 10 30 EGEELO C=C1CC[NH+](CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1 ZINC000532553162 459109450 /nfs/dbraw/zinc/10/94/50/459109450.db2.gz FFBRLCVCXUDBFJ-UHFFFAOYSA-N 1 2 343.452 3.409 10 30 EGEELO C=CCCn1cc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)nn1 ZINC000594927898 459178989 /nfs/dbraw/zinc/17/89/89/459178989.db2.gz BILONCXPJBAESY-UHFFFAOYSA-N 1 2 342.443 3.099 10 30 EGEELO C=CCOc1ccccc1CNc1cc(OC)c(Br)c[nH+]1 ZINC000538454628 459371044 /nfs/dbraw/zinc/37/10/44/459371044.db2.gz ZYZPXIGCNINDLN-UHFFFAOYSA-N 1 2 349.228 3.452 10 30 EGEELO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674704 459391518 /nfs/dbraw/zinc/39/15/18/459391518.db2.gz KLSPMEQQKXICLC-GDBMZVCRSA-N 1 2 327.428 3.148 10 30 EGEELO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674704 459391523 /nfs/dbraw/zinc/39/15/23/459391523.db2.gz KLSPMEQQKXICLC-GDBMZVCRSA-N 1 2 327.428 3.148 10 30 EGEELO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000595680414 459395030 /nfs/dbraw/zinc/39/50/30/459395030.db2.gz GZVFNERQTWZHNX-LBPRGKRZSA-N 1 2 335.245 3.464 10 30 EGEELO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000595680414 459395034 /nfs/dbraw/zinc/39/50/34/459395034.db2.gz GZVFNERQTWZHNX-LBPRGKRZSA-N 1 2 335.245 3.464 10 30 EGEELO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000485798548 459471246 /nfs/dbraw/zinc/47/12/46/459471246.db2.gz 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459565209 /nfs/dbraw/zinc/56/52/09/459565209.db2.gz GAIYRQKLYBEPAC-QGZVFWFLSA-N 1 2 330.476 3.442 10 30 EGEELO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000572964551 459603410 /nfs/dbraw/zinc/60/34/10/459603410.db2.gz PAPLHQRVKQLPEB-AUUYWEPGSA-N 1 2 337.379 3.428 10 30 EGEELO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000572964551 459603414 /nfs/dbraw/zinc/60/34/14/459603414.db2.gz PAPLHQRVKQLPEB-AUUYWEPGSA-N 1 2 337.379 3.428 10 30 EGEELO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C2(CCC2)CO1 ZINC000593093425 459771174 /nfs/dbraw/zinc/77/11/74/459771174.db2.gz SQUWQXIHAUPTIF-GFCCVEGCSA-N 1 2 335.245 3.464 10 30 EGEELO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C2(CCC2)CO1 ZINC000593093425 459771177 /nfs/dbraw/zinc/77/11/77/459771177.db2.gz SQUWQXIHAUPTIF-GFCCVEGCSA-N 1 2 335.245 3.464 10 30 EGEELO CCC(C#N)(CC)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000528411649 459805442 /nfs/dbraw/zinc/80/54/42/459805442.db2.gz YDSMDPJFFZFFFV-OAHLLOKOSA-N 1 2 331.435 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COC(=O)C1([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CCCC1 ZINC000589502786 460096697 /nfs/dbraw/zinc/09/66/97/460096697.db2.gz KCDCKBXLMPVOKT-UHFFFAOYSA-N 1 2 340.345 3.495 10 30 EGEELO CN1c2ccccc2C[N@H+](Cc2ccccc2C(C)(C)C#N)CC1=O ZINC000598946499 460097683 /nfs/dbraw/zinc/09/76/83/460097683.db2.gz HKHNCGZXTAHPAW-UHFFFAOYSA-N 1 2 333.435 3.466 10 30 EGEELO CN1c2ccccc2C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1=O ZINC000598946499 460097690 /nfs/dbraw/zinc/09/76/90/460097690.db2.gz HKHNCGZXTAHPAW-UHFFFAOYSA-N 1 2 333.435 3.466 10 30 EGEELO C=CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000576714528 460200501 /nfs/dbraw/zinc/20/05/01/460200501.db2.gz FCKPQGGDYBVKEA-UHFFFAOYSA-N 1 2 328.372 3.257 10 30 EGEELO C[C@H]1CCN(C(=O)c2cc3ccccc3n2CC#N)C[C@H]1n1cc[nH+]c1 ZINC000610729817 460227787 /nfs/dbraw/zinc/22/77/87/460227787.db2.gz BXMRWMKQRQQOKG-HNAYVOBHSA-N 1 2 347.422 3.085 10 30 EGEELO Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)cc1C#N ZINC000599452897 460256834 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EGEELO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676638 460307059 /nfs/dbraw/zinc/30/70/59/460307059.db2.gz FMDQTTPZANYKOE-OAHLLOKOSA-N 1 2 344.418 3.010 10 30 EGEELO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000611502603 460379281 /nfs/dbraw/zinc/37/92/81/460379281.db2.gz VNUQPPNLZWVJOB-QAPCUYQASA-N 1 2 347.434 3.012 10 30 EGEELO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000611502603 460379286 /nfs/dbraw/zinc/37/92/86/460379286.db2.gz VNUQPPNLZWVJOB-QAPCUYQASA-N 1 2 347.434 3.012 10 30 EGEELO C=CCOc1ccc(C[N@@H+]2CCO[C@@](C)(COC)C2)cc1Cl ZINC000628497548 460441440 /nfs/dbraw/zinc/44/14/40/460441440.db2.gz QIALZYXBCOTXIJ-QGZVFWFLSA-N 1 2 325.836 3.142 10 30 EGEELO C=CCOc1ccc(C[N@H+]2CCO[C@@](C)(COC)C2)cc1Cl ZINC000628497548 460441448 /nfs/dbraw/zinc/44/14/48/460441448.db2.gz QIALZYXBCOTXIJ-QGZVFWFLSA-N 1 2 325.836 3.142 10 30 EGEELO C=CC(C)(C)CCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000628314124 461084280 /nfs/dbraw/zinc/08/42/80/461084280.db2.gz NJEVLLXLGFYNEV-UHFFFAOYSA-N 1 2 338.455 3.151 10 30 EGEELO C=CC[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)C1 ZINC000636505736 461189987 /nfs/dbraw/zinc/18/99/87/461189987.db2.gz UTWDXBDOGJZYKS-PBHICJAKSA-N 1 2 342.418 3.256 10 30 EGEELO C=CCc1cc(CNc2nc[nH+]c(C)c2OC)cc(OC)c1OC ZINC000656113092 461597588 /nfs/dbraw/zinc/59/75/88/461597588.db2.gz CDVWHWIVOUGFSQ-UHFFFAOYSA-N 1 2 329.400 3.151 10 30 EGEELO C=CCCn1cc(C[NH2+]Cc2cc(F)cc(Br)c2)nn1 ZINC000657324442 462047341 /nfs/dbraw/zinc/04/73/41/462047341.db2.gz SCJDLCQABWWMQS-UHFFFAOYSA-N 1 2 339.212 3.046 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639780402 462105660 /nfs/dbraw/zinc/10/56/60/462105660.db2.gz FOVWDQHYYJMDCL-INIZCTEOSA-N 1 2 342.468 3.463 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639780402 462105666 /nfs/dbraw/zinc/10/56/66/462105666.db2.gz FOVWDQHYYJMDCL-INIZCTEOSA-N 1 2 342.468 3.463 10 30 EGEELO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000661412931 462236832 /nfs/dbraw/zinc/23/68/32/462236832.db2.gz YDFUBMZJKQQKIV-MOPGFXCFSA-N 1 2 342.487 3.044 10 30 EGEELO C=CC[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000661412933 462237150 /nfs/dbraw/zinc/23/71/50/462237150.db2.gz YDFUBMZJKQQKIV-RBUKOAKNSA-N 1 2 342.487 3.044 10 30 EGEELO C=CCCC1(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CCCC1 ZINC000661531546 462295944 /nfs/dbraw/zinc/29/59/44/462295944.db2.gz RBABLLVYQAITBZ-ROUUACIJSA-N 1 2 349.519 3.018 10 30 EGEELO N#CCC[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000370871907 547792979 /nfs/dbraw/zinc/79/29/79/547792979.db2.gz DTYGQLXZAFAEMK-QGZVFWFLSA-N 1 2 337.427 3.344 10 30 EGEELO N#CCC[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000370871907 547792982 /nfs/dbraw/zinc/79/29/82/547792982.db2.gz DTYGQLXZAFAEMK-QGZVFWFLSA-N 1 2 337.427 3.344 10 30 EGEELO C=CCOCCNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000679495509 549721414 /nfs/dbraw/zinc/72/14/14/549721414.db2.gz HZRWJFNOURJFHK-UHFFFAOYSA-N 1 2 341.455 3.403 10 30 EGEELO Cn1cc[nH+]c1CN=Nc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000727255477 574655946 /nfs/dbraw/zinc/65/59/46/574655946.db2.gz ODJVRDXXXGSRDE-UHFFFAOYSA-N 1 2 343.394 3.114 10 30 EGEELO COCC[N@H+](Cc1ccco1)Cc1cc(Cl)ccc1OCC#N ZINC000735308901 575639152 /nfs/dbraw/zinc/63/91/52/575639152.db2.gz XOKOXNKGUYPYFD-UHFFFAOYSA-N 1 2 334.803 3.484 10 30 EGEELO COCC[N@@H+](Cc1ccco1)Cc1cc(Cl)ccc1OCC#N ZINC000735308901 575639154 /nfs/dbraw/zinc/63/91/54/575639154.db2.gz XOKOXNKGUYPYFD-UHFFFAOYSA-N 1 2 334.803 3.484 10 30 EGEELO COC(=O)[C@H]([NH2+]CCc1c(C)[nH]c2ccccc21)c1ccc(C#N)cc1 ZINC000739997052 576529928 /nfs/dbraw/zinc/52/99/28/576529928.db2.gz WRKGDXXGMMZVLO-HXUWFJFHSA-N 1 2 347.418 3.394 10 30 EGEELO CC(C)(C)c1csc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)n1 ZINC000158140604 1294197319 /nfs/dbraw/zinc/19/73/19/1294197319.db2.gz BLBOZIVVPZJLJB-UHFFFAOYSA-N 1 2 331.441 3.213 10 30 EGEELO O=C(C=Cc1cccc2[nH+]ccn21)c1ccc(C(F)(F)F)[nH]c1=O ZINC000255119073 1296500863 /nfs/dbraw/zinc/50/08/63/1296500863.db2.gz DRRCTOJTGOFGJL-XQRVVYSFSA-N 1 2 333.269 3.350 10 30 EGEELO C#C[C@H]1CC[C@H](NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000874866847 1298138985 /nfs/dbraw/zinc/13/89/85/1298138985.db2.gz XFHMQZXQGISGTH-WKILWMFISA-N 1 2 341.480 3.184 10 30 EGEELO C=CCC[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)[C@@H]1CCCO1 ZINC000883205879 1302306088 /nfs/dbraw/zinc/30/60/88/1302306088.db2.gz FRLBNDWGXKEFGT-CVEARBPZSA-N 1 2 330.407 3.214 10 30 EGEELO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000886354121 1303444891 /nfs/dbraw/zinc/44/48/91/1303444891.db2.gz WMWFVDFWDJXZGV-QWHCGFSZSA-N 1 2 335.245 3.121 10 30 EGEELO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Br)C1 ZINC000886354121 1303444895 /nfs/dbraw/zinc/44/48/95/1303444895.db2.gz WMWFVDFWDJXZGV-QWHCGFSZSA-N 1 2 335.245 3.121 10 30 EGEELO C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000886355267 1303445134 /nfs/dbraw/zinc/44/51/34/1303445134.db2.gz FQIAYCPESPOAQI-KBPBESRZSA-N 1 2 349.272 3.430 10 30 EGEELO C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000886355267 1303445138 /nfs/dbraw/zinc/44/51/38/1303445138.db2.gz FQIAYCPESPOAQI-KBPBESRZSA-N 1 2 349.272 3.430 10 30 EGEELO C#CC[C@H]1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000889116839 1304391199 /nfs/dbraw/zinc/39/11/99/1304391199.db2.gz RXNWLDXUMUCJNK-AWEZNQCLSA-N 1 2 342.830 3.081 10 30 EGEELO C#C[C@@H]([NH2+]Cc1c2c(nn1C)CCC2)c1ccc(Br)cc1 ZINC000894666822 1309013794 /nfs/dbraw/zinc/01/37/94/1309013794.db2.gz DHRIBUAMAGVFKF-OAHLLOKOSA-N 1 2 344.256 3.135 10 30 EGEELO C#C[C@@H]([NH2+]Cc1cnn2c1CCC2)c1ccc(Br)cc1 ZINC000894870506 1309108177 /nfs/dbraw/zinc/10/81/77/1309108177.db2.gz MHZZAQCJEDBSDF-OAHLLOKOSA-N 1 2 330.229 3.056 10 30 EGEELO N#Cc1cc(Cl)cc(C[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000929242825 1328547205 /nfs/dbraw/zinc/54/72/05/1328547205.db2.gz OJXPEPWYBFBGAE-UHFFFAOYSA-N 1 2 327.815 3.239 10 30 EGEELO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000857922997 1328626687 /nfs/dbraw/zinc/62/66/87/1328626687.db2.gz UIGHJICTOPJCDY-HNNXBMFYSA-N 1 2 335.407 3.170 10 30 EGEELO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000857922997 1328626693 /nfs/dbraw/zinc/62/66/93/1328626693.db2.gz UIGHJICTOPJCDY-HNNXBMFYSA-N 1 2 335.407 3.170 10 30 EGEELO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000929842683 1328717901 /nfs/dbraw/zinc/71/79/01/1328717901.db2.gz UHZHRNHTYHWIBG-HKUYNNGSSA-N 1 2 340.423 3.093 10 30 EGEELO Cc1cc(C#N)cc(C)c1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000929842683 1328717906 /nfs/dbraw/zinc/71/79/06/1328717906.db2.gz UHZHRNHTYHWIBG-HKUYNNGSSA-N 1 2 340.423 3.093 10 30 EGEELO C#C[C@H]1CCCCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000930227566 1328816292 /nfs/dbraw/zinc/81/62/92/1328816292.db2.gz INHNRMPBILYERI-LPHOPBHVSA-N 1 2 341.455 3.099 10 30 EGEELO Cc1cc(NCCNc2nc(Cl)c(C#N)s2)nc(C(C)C)[nH+]1 ZINC000858729579 1328843897 /nfs/dbraw/zinc/84/38/97/1328843897.db2.gz SPICCYMXRIDDAE-UHFFFAOYSA-N 1 2 336.852 3.414 10 30 EGEELO N#Cc1csc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)c1 ZINC000922999584 1322671574 /nfs/dbraw/zinc/67/15/74/1322671574.db2.gz GCBZINQYRGRVFI-UHFFFAOYSA-N 1 2 349.257 3.341 10 30 EGEELO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1cccc(C#N)c1O ZINC000924732762 1323139250 /nfs/dbraw/zinc/13/92/50/1323139250.db2.gz CSNUXIDJTRCWIH-IAGOWNOFSA-N 1 2 326.396 3.047 10 30 EGEELO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cccc(C#N)c1O ZINC000925644117 1325245233 /nfs/dbraw/zinc/24/52/33/1325245233.db2.gz XZCVGQYZWLEDLC-IEBWSBKVSA-N 1 2 328.387 3.351 10 30 EGEELO CC[C@@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1cccc(C#N)c1O ZINC000926198940 1325466906 /nfs/dbraw/zinc/46/69/06/1325466906.db2.gz NCPVXABLOMLMMQ-IUODEOHRSA-N 1 2 333.432 3.218 10 30 EGEELO CC[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cccc(C#N)c1O ZINC000926418567 1325546273 /nfs/dbraw/zinc/54/62/73/1325546273.db2.gz SPZFAAQXIIJNMZ-MHECFPHRSA-N 1 2 342.464 3.383 10 30 EGEELO CC[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1cccc(C#N)c1O ZINC000926804428 1327725897 /nfs/dbraw/zinc/72/58/97/1327725897.db2.gz YBVTVKAUIKFBBM-SFHVURJKSA-N 1 2 334.423 3.434 10 30 EGEELO CC(=NNCCCn1cc[nH+]c1)c1cc(Br)ccc1C ZINC000863126489 1329529943 /nfs/dbraw/zinc/52/99/43/1329529943.db2.gz JVYKSDPONBVYBB-UHFFFAOYSA-N 1 2 335.249 3.358 10 30 EGEELO C=CC[C@H]1CC[N@@H+]1CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000934470916 1329981089 /nfs/dbraw/zinc/98/10/89/1329981089.db2.gz IAUUNCBOBSHZNH-HOCLYGCPSA-N 1 2 339.395 3.201 10 30 EGEELO C=CC[C@H]1CC[N@H+]1CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000934470916 1329981091 /nfs/dbraw/zinc/98/10/91/1329981091.db2.gz IAUUNCBOBSHZNH-HOCLYGCPSA-N 1 2 339.395 3.201 10 30 EGEELO C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1cccc(C#N)c1O ZINC000866231274 1330081462 /nfs/dbraw/zinc/08/14/62/1330081462.db2.gz VHTCDNTVAAHEFS-OAHLLOKOSA-N 1 2 349.434 3.237 10 30 EGEELO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1cccc(C#N)c1O ZINC000866283989 1330090435 /nfs/dbraw/zinc/09/04/35/1330090435.db2.gz HPYGXDPJBUOSKU-TZMCWYRMSA-N 1 2 342.830 3.242 10 30 EGEELO C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1cccc(C#N)c1O ZINC000866294331 1330091795 /nfs/dbraw/zinc/09/17/95/1330091795.db2.gz OCKSEDYJELHREY-AWEZNQCLSA-N 1 2 341.455 3.096 10 30 EGEELO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1cccc(C#N)c1O ZINC000866342165 1330098742 /nfs/dbraw/zinc/09/87/42/1330098742.db2.gz SUPSVCYSFYNWOO-XIKOKIGWSA-N 1 2 330.815 3.476 10 30 EGEELO C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cccc(C#N)c1O ZINC000866351739 1330100987 /nfs/dbraw/zinc/10/09/87/1330100987.db2.gz CVLOIGHAUHMJBF-INMHGKMJSA-N 1 2 341.455 3.096 10 30 EGEELO Cc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc(N2CCCC2)n1 ZINC000866360296 1330102099 /nfs/dbraw/zinc/10/20/99/1330102099.db2.gz DNBXXFNDEFVTNQ-HNNXBMFYSA-N 1 2 336.439 3.418 10 30 EGEELO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869106281 1330414799 /nfs/dbraw/zinc/41/47/99/1330414799.db2.gz DPCHANYXJGWYMQ-YWZLYKJASA-N 1 2 348.450 3.447 10 30 EGEELO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869106281 1330414800 /nfs/dbraw/zinc/41/48/00/1330414800.db2.gz DPCHANYXJGWYMQ-YWZLYKJASA-N 1 2 348.450 3.447 10 30 EGEELO C=C(C)C[C@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)C(=O)OC ZINC001183326481 1387298046 /nfs/dbraw/zinc/29/80/46/1387298046.db2.gz XWOVOXOSBDKDCN-AWEZNQCLSA-N 1 2 331.334 3.225 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@H]2CC[N@@H+]2CCc2ccc(Cl)cc2)C1 ZINC001323302174 1387328416 /nfs/dbraw/zinc/32/84/16/1387328416.db2.gz MQVQJKGWVDFHGH-QGZVFWFLSA-N 1 2 332.875 3.429 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@H]2CC[N@H+]2CCc2ccc(Cl)cc2)C1 ZINC001323302174 1387328421 /nfs/dbraw/zinc/32/84/21/1387328421.db2.gz MQVQJKGWVDFHGH-QGZVFWFLSA-N 1 2 332.875 3.429 10 30 EGEELO C#CCN(C(=O)[C@@H]1CC12CC2)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001324427394 1387621157 /nfs/dbraw/zinc/62/11/57/1387621157.db2.gz XWRGMXUVMGAVMW-HVCHUGMYSA-N 1 2 341.282 3.032 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CC2(C)CCCC2)C1 ZINC001324608432 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O=C(/C=C\c1ccc(-n2cncn2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000096035259 201374624 /nfs/dbraw/zinc/37/46/24/201374624.db2.gz VEFZIWZIMCIIDR-KMKOMSMNSA-N 1 2 341.374 3.349 10 30 EGEELO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(c2ccccc2F)C1=O ZINC000112338318 204394512 /nfs/dbraw/zinc/39/45/12/204394512.db2.gz NNPQUVZRTOBKMW-SFHVURJKSA-N 1 2 341.361 3.074 10 30 EGEELO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(c2ccccc2F)C1=O ZINC000112338318 204394517 /nfs/dbraw/zinc/39/45/17/204394517.db2.gz NNPQUVZRTOBKMW-SFHVURJKSA-N 1 2 341.361 3.074 10 30 EGEELO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127078655 205084201 /nfs/dbraw/zinc/08/42/01/205084201.db2.gz PPJPYPDRZXIYSP-MSOLQXFVSA-N 1 2 341.361 3.012 10 30 EGEELO C[N@H+]1CC[C@@H](NC(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127078655 205084207 /nfs/dbraw/zinc/08/42/07/205084207.db2.gz PPJPYPDRZXIYSP-MSOLQXFVSA-N 1 2 341.361 3.012 10 30 EGEELO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)n1C ZINC000328655794 258018851 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N#Cc1cccc(OCCC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000127010688 162319707 /nfs/dbraw/zinc/31/97/07/162319707.db2.gz OYJOFSXXSOQEHG-HXUWFJFHSA-N 1 2 338.407 3.106 10 30 EGEELO C[C@H](Sc1cc(C#N)ccn1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344232541 164132832 /nfs/dbraw/zinc/13/28/32/164132832.db2.gz KRKLKMMJFQHLBS-LBPRGKRZSA-N 1 2 349.419 3.463 10 30 EGEELO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000355040140 166090932 /nfs/dbraw/zinc/09/09/32/166090932.db2.gz UOVOXNNGGJMVMM-UGSOOPFHSA-N 1 2 342.418 3.268 10 30 EGEELO N#Cc1ccc2ncc(C[NH2+][C@H](c3ccccc3)c3ccccn3)n2c1 ZINC000367048346 168172806 /nfs/dbraw/zinc/17/28/06/168172806.db2.gz UDIGPQYTIBVNNS-OAQYLSRUSA-N 1 2 339.402 3.480 10 30 EGEELO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000367865297 168277809 /nfs/dbraw/zinc/27/78/09/168277809.db2.gz OCIARDOSVNANRI-INIZCTEOSA-N 1 2 335.245 3.323 10 30 EGEELO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367865297 168277812 /nfs/dbraw/zinc/27/78/12/168277812.db2.gz 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N#Cc1ccc(N2CC[C@H]([N@H+]3Cc4ccc(Cl)cc4C3)C2=O)cc1 ZINC000459755827 268235554 /nfs/dbraw/zinc/23/55/54/268235554.db2.gz FYFGFCIRKWAAON-SFHVURJKSA-N 1 2 337.810 3.333 10 30 EGEELO N#Cc1csc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281868235 268317897 /nfs/dbraw/zinc/31/78/97/268317897.db2.gz CKLJXBIRNDBYHL-AWEZNQCLSA-N 1 2 340.452 3.172 10 30 EGEELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000191782710 279347071 /nfs/dbraw/zinc/34/70/71/279347071.db2.gz IBLYERSUNIHOOO-INIZCTEOSA-N 1 2 345.244 3.391 10 30 EGEELO Cn1cc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000191782710 279347072 /nfs/dbraw/zinc/34/70/72/279347072.db2.gz IBLYERSUNIHOOO-INIZCTEOSA-N 1 2 345.244 3.391 10 30 EGEELO N#Cc1ccc(C[N@H+](CC(N)=O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000356219318 303190149 /nfs/dbraw/zinc/19/01/49/303190149.db2.gz GTPFKFVSEJINOI-UHFFFAOYSA-N 1 2 347.340 3.065 10 30 EGEELO N#Cc1ccc(C[N@@H+](CC(N)=O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000356219318 303190152 /nfs/dbraw/zinc/19/01/52/303190152.db2.gz GTPFKFVSEJINOI-UHFFFAOYSA-N 1 2 347.340 3.065 10 30 EGEELO N#CCOc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000278721904 455845983 /nfs/dbraw/zinc/84/59/83/455845983.db2.gz SUIWVDPZJNNJBW-UHFFFAOYSA-N 1 2 327.331 3.354 10 30 EGEELO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000581899627 325397742 /nfs/dbraw/zinc/39/77/42/325397742.db2.gz KKXWXLVRMQYHHM-LBPRGKRZSA-N 1 2 336.420 3.092 10 30 EGEELO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000581899627 325397745 /nfs/dbraw/zinc/39/77/45/325397745.db2.gz KKXWXLVRMQYHHM-LBPRGKRZSA-N 1 2 336.420 3.092 10 30 EGEELO C[C@H](NC(=O)Cc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173914203 455341050 /nfs/dbraw/zinc/34/10/50/455341050.db2.gz XBQXBZVIDIDQQV-HNNXBMFYSA-N 1 2 330.391 3.164 10 30 EGEELO COC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000181655419 455368365 /nfs/dbraw/zinc/36/83/65/455368365.db2.gz PJCAXLOSYRKBAB-KRWDZBQOSA-N 1 2 334.379 3.086 10 30 EGEELO C=CC[N@H+](CC(=O)Nc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000068825774 454057587 /nfs/dbraw/zinc/05/75/87/454057587.db2.gz MMFIXRZMMNTYQX-UHFFFAOYSA-N 1 2 325.368 3.222 10 30 EGEELO C=CC[N@@H+](CC(=O)Nc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000068825774 454057589 /nfs/dbraw/zinc/05/75/89/454057589.db2.gz MMFIXRZMMNTYQX-UHFFFAOYSA-N 1 2 325.368 3.222 10 30 EGEELO COCCOc1cc(C)ccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092119058 454526811 /nfs/dbraw/zinc/52/68/11/454526811.db2.gz NYLHUBCBOOUYSA-UHFFFAOYSA-N 1 2 336.395 3.152 10 30 EGEELO CN(C)c1[nH+]cccc1CNc1ccc(C#N)cc1Br ZINC000134629454 454570245 /nfs/dbraw/zinc/57/02/45/454570245.db2.gz WLXZNESIBKPPDZ-UHFFFAOYSA-N 1 2 331.217 3.394 10 30 EGEELO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@H](c2ccccc2)O1 ZINC000092486294 454574463 /nfs/dbraw/zinc/57/44/63/454574463.db2.gz ZAOCTOGQSIHTGF-DNVCBOLYSA-N 1 2 332.407 3.168 10 30 EGEELO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@H](c2ccccc2)O1 ZINC000092486294 454574468 /nfs/dbraw/zinc/57/44/68/454574468.db2.gz ZAOCTOGQSIHTGF-DNVCBOLYSA-N 1 2 332.407 3.168 10 30 EGEELO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000093612024 454723751 /nfs/dbraw/zinc/72/37/51/454723751.db2.gz MMDVGTYLZKEXDI-NSHDSACASA-N 1 2 331.231 3.344 10 30 EGEELO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000093612024 454723754 /nfs/dbraw/zinc/72/37/54/454723754.db2.gz MMDVGTYLZKEXDI-NSHDSACASA-N 1 2 331.231 3.344 10 30 EGEELO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000155199718 454973774 /nfs/dbraw/zinc/97/37/74/454973774.db2.gz DWJPMMDMMMKSMK-OLZOCXBDSA-N 1 2 339.842 3.308 10 30 EGEELO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000155199718 454973778 /nfs/dbraw/zinc/97/37/78/454973778.db2.gz DWJPMMDMMMKSMK-OLZOCXBDSA-N 1 2 339.842 3.308 10 30 EGEELO C=CC[N@@H+](Cc1cc(C(=O)OC)co1)Cc1cccc([N+](=O)[O-])c1 ZINC000171035137 455019107 /nfs/dbraw/zinc/01/91/07/455019107.db2.gz DTJIVEFMIAMUAY-UHFFFAOYSA-N 1 2 330.340 3.163 10 30 EGEELO C=CC[N@H+](Cc1cc(C(=O)OC)co1)Cc1cccc([N+](=O)[O-])c1 ZINC000171035137 455019110 /nfs/dbraw/zinc/01/91/10/455019110.db2.gz DTJIVEFMIAMUAY-UHFFFAOYSA-N 1 2 330.340 3.163 10 30 EGEELO N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)c4ccccc4)CC3)n2c1 ZINC000179878589 455092263 /nfs/dbraw/zinc/09/22/63/455092263.db2.gz KVHUYZWAOHHZJI-UHFFFAOYSA-N 1 2 344.418 3.301 10 30 EGEELO C[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152468275 455123943 /nfs/dbraw/zinc/12/39/43/455123943.db2.gz OHTXNZIROVZDGM-GJZGRUSLSA-N 1 2 335.810 3.034 10 30 EGEELO C[N@H+]1CC[C@H](NC(=O)C2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152468275 455123945 /nfs/dbraw/zinc/12/39/45/455123945.db2.gz OHTXNZIROVZDGM-GJZGRUSLSA-N 1 2 335.810 3.034 10 30 EGEELO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152468380 455124043 /nfs/dbraw/zinc/12/40/43/455124043.db2.gz OHTXNZIROVZDGM-CABCVRRESA-N 1 2 335.810 3.034 10 30 EGEELO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152468380 455124045 /nfs/dbraw/zinc/12/40/45/455124045.db2.gz OHTXNZIROVZDGM-CABCVRRESA-N 1 2 335.810 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Cc1[nH+]c2ccccc2n1CCC(=O)N(CCC#N)Cc1ccco1 ZINC000355982880 457436286 /nfs/dbraw/zinc/43/62/86/457436286.db2.gz BJIDOHVRPAIAQQ-UHFFFAOYSA-N 1 2 336.395 3.270 10 30 EGEELO Cc1[nH]c2ccc(Cn3c(C)nnc3-c3cccc(C#N)c3)cc2[nH+]1 ZINC000342659735 457436351 /nfs/dbraw/zinc/43/63/51/457436351.db2.gz SDZGGVSCXHVTGQ-UHFFFAOYSA-N 1 2 328.379 3.358 10 30 EGEELO Cc1[nH]c2cc(Cn3c(C)nnc3-c3cccc(C#N)c3)ccc2[nH+]1 ZINC000342659735 457436354 /nfs/dbraw/zinc/43/63/54/457436354.db2.gz SDZGGVSCXHVTGQ-UHFFFAOYSA-N 1 2 328.379 3.358 10 30 EGEELO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425439413 457554299 /nfs/dbraw/zinc/55/42/99/457554299.db2.gz AFHHVKKSUJYYQH-QGZVFWFLSA-N 1 2 332.492 3.242 10 30 EGEELO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425439413 457554306 /nfs/dbraw/zinc/55/43/06/457554306.db2.gz AFHHVKKSUJYYQH-QGZVFWFLSA-N 1 2 332.492 3.242 10 30 EGEELO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c1C ZINC000446072317 458140124 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339.395 3.240 10 30 EGEELO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459398629 458358295 /nfs/dbraw/zinc/35/82/95/458358295.db2.gz LLZXTHUZWIXUPL-UHFFFAOYSA-N 1 2 339.395 3.240 10 30 EGEELO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459555816 458409648 /nfs/dbraw/zinc/40/96/48/458409648.db2.gz DWKWUXORCYKOTG-SFHVURJKSA-N 1 2 345.399 3.020 10 30 EGEELO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459555816 458409653 /nfs/dbraw/zinc/40/96/53/458409653.db2.gz DWKWUXORCYKOTG-SFHVURJKSA-N 1 2 345.399 3.020 10 30 EGEELO C[C@](CO)([NH2+]Cc1nc(C#N)cs1)c1cc(Cl)cc(Cl)c1 ZINC000449667366 458428991 /nfs/dbraw/zinc/42/89/91/458428991.db2.gz IZHDFQLJJRBJQV-CQSZACIVSA-N 1 2 342.251 3.319 10 30 EGEELO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451975448 458491869 /nfs/dbraw/zinc/49/18/69/458491869.db2.gz VNEHLVDFWIAUOL-SUMWQHHRSA-N 1 2 335.398 3.110 10 30 EGEELO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451975448 458491873 /nfs/dbraw/zinc/49/18/73/458491873.db2.gz VNEHLVDFWIAUOL-SUMWQHHRSA-N 1 2 335.398 3.110 10 30 EGEELO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000461371371 458556676 /nfs/dbraw/zinc/55/66/76/458556676.db2.gz CWRRLGADJPBHNY-LJQANCHMSA-N 1 2 348.450 3.098 10 30 EGEELO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000461371371 458556681 /nfs/dbraw/zinc/55/66/81/458556681.db2.gz CWRRLGADJPBHNY-LJQANCHMSA-N 1 2 348.450 3.098 10 30 EGEELO N#Cc1csc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)n1 ZINC000515479184 458809938 /nfs/dbraw/zinc/80/99/38/458809938.db2.gz AELHASAGFVCBNE-UHFFFAOYSA-N 1 2 328.441 3.411 10 30 EGEELO CCOCc1nc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)no1 ZINC000594611366 459111772 /nfs/dbraw/zinc/11/17/72/459111772.db2.gz ZMLIJMIVUZVJMY-ZDUSSCGKSA-N 1 2 328.416 3.258 10 30 EGEELO C[C@H](C[N@@H+]1Cc2ccc(C#N)cc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000594616074 459117056 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DZVXTKCVHBWOSE-GZBFAFLISA-N 1 2 345.399 3.019 10 30 EGEELO CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1C ZINC000595561289 459346769 /nfs/dbraw/zinc/34/67/69/459346769.db2.gz DZVXTKCVHBWOSE-GZBFAFLISA-N 1 2 345.399 3.019 10 30 EGEELO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000595760803 459429395 /nfs/dbraw/zinc/42/93/95/459429395.db2.gz SYDJWCJSVIYNBX-GOSISDBHSA-N 1 2 325.387 3.444 10 30 EGEELO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000595760803 459429404 /nfs/dbraw/zinc/42/94/04/459429404.db2.gz SYDJWCJSVIYNBX-GOSISDBHSA-N 1 2 325.387 3.444 10 30 EGEELO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839130 459460953 /nfs/dbraw/zinc/46/09/53/459460953.db2.gz ZKPWWNNEZUEXQQ-MRXNPFEDSA-N 1 2 340.254 3.187 10 30 EGEELO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839130 459460956 /nfs/dbraw/zinc/46/09/56/459460956.db2.gz ZKPWWNNEZUEXQQ-MRXNPFEDSA-N 1 2 340.254 3.187 10 30 EGEELO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595844612 459462582 /nfs/dbraw/zinc/46/25/82/459462582.db2.gz IENDRYDGFNYFLT-HNNXBMFYSA-N 1 2 339.443 3.221 10 30 EGEELO Cc1cc2c(cc1F)[nH+]c1c(c2N2CCO[C@H](C#N)C2)CCCC1 ZINC000591912166 459481076 /nfs/dbraw/zinc/48/10/76/459481076.db2.gz NXHPSDNSWMSCNX-CYBMUJFWSA-N 1 2 325.387 3.290 10 30 EGEELO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1ccncc1C#N ZINC000592123389 459529007 /nfs/dbraw/zinc/52/90/07/459529007.db2.gz ZNWGIJDFQCSDLN-CYBMUJFWSA-N 1 2 344.821 3.456 10 30 EGEELO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1ccncc1C#N ZINC000592123389 459529013 /nfs/dbraw/zinc/52/90/13/459529013.db2.gz ZNWGIJDFQCSDLN-CYBMUJFWSA-N 1 2 344.821 3.456 10 30 EGEELO CC[C@H](CC#N)[NH2+]CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000573455541 459681337 /nfs/dbraw/zinc/68/13/37/459681337.db2.gz JOIXNSNMVMHDQS-CYBMUJFWSA-N 1 2 344.440 3.039 10 30 EGEELO N#Cc1cccc2c1C[N@H+](CCC(=O)N1CCCc3ccccc31)C2 ZINC000593127752 459782659 /nfs/dbraw/zinc/78/26/59/459782659.db2.gz VTOXKPJCGMZCOA-UHFFFAOYSA-N 1 2 331.419 3.243 10 30 EGEELO N#Cc1cccc2c1C[N@@H+](CCC(=O)N1CCCc3ccccc31)C2 ZINC000593127752 459782663 /nfs/dbraw/zinc/78/26/63/459782663.db2.gz VTOXKPJCGMZCOA-UHFFFAOYSA-N 1 2 331.419 3.243 10 30 EGEELO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000565552244 459785519 /nfs/dbraw/zinc/78/55/19/459785519.db2.gz UGUTVVMPKRUJCA-LZQZEXGQSA-N 1 2 331.435 3.000 10 30 EGEELO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000565552244 459785520 /nfs/dbraw/zinc/78/55/20/459785520.db2.gz UGUTVVMPKRUJCA-LZQZEXGQSA-N 1 2 331.435 3.000 10 30 EGEELO Cn1ncc(C2CCC2)c1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000596986586 459811316 /nfs/dbraw/zinc/81/13/16/459811316.db2.gz WXIQVXUMDYNKSZ-HXUWFJFHSA-N 1 2 349.482 3.070 10 30 EGEELO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(F)c(C#N)c(F)c2)c1C ZINC000596994327 459814157 /nfs/dbraw/zinc/81/41/57/459814157.db2.gz FAPMFPFHGAMLRE-UHFFFAOYSA-N 1 2 345.349 3.129 10 30 EGEELO CCC(C#N)(CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000528935268 459818315 /nfs/dbraw/zinc/81/83/15/459818315.db2.gz VWXIURYCWFKZDN-JKSUJKDBSA-N 1 2 335.398 3.156 10 30 EGEELO CCC(C#N)(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000528935268 459818319 /nfs/dbraw/zinc/81/83/19/459818319.db2.gz VWXIURYCWFKZDN-JKSUJKDBSA-N 1 2 335.398 3.156 10 30 EGEELO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000597183767 459866520 /nfs/dbraw/zinc/86/65/20/459866520.db2.gz DVISHZHEOHUEIV-KSSFIOAISA-N 1 2 336.439 3.193 10 30 EGEELO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000597183767 459866523 /nfs/dbraw/zinc/86/65/23/459866523.db2.gz DVISHZHEOHUEIV-KSSFIOAISA-N 1 2 336.439 3.193 10 30 EGEELO COc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C(=O)OC(C)(C)C)ccc1C#N ZINC000593650149 459940052 /nfs/dbraw/zinc/94/00/52/459940052.db2.gz QKVRDGHOMJYUBQ-BBRMVZONSA-N 1 2 330.428 3.261 10 30 EGEELO COc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)OC(C)(C)C)ccc1C#N ZINC000593650149 459940058 /nfs/dbraw/zinc/94/00/58/459940058.db2.gz QKVRDGHOMJYUBQ-BBRMVZONSA-N 1 2 330.428 3.261 10 30 EGEELO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609623139 459997254 /nfs/dbraw/zinc/99/72/54/459997254.db2.gz PAZJZWMAHHRSBA-SFHVURJKSA-N 1 2 334.379 3.248 10 30 EGEELO CC(C)(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1c[nH+]c[nH]1 ZINC000598717670 460004625 /nfs/dbraw/zinc/00/46/25/460004625.db2.gz HHTVGNWVQJHAJH-UHFFFAOYSA-N 1 2 338.289 3.096 10 30 EGEELO CC(C)(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1c[nH]c[nH+]1 ZINC000598717670 460004634 /nfs/dbraw/zinc/00/46/34/460004634.db2.gz HHTVGNWVQJHAJH-UHFFFAOYSA-N 1 2 338.289 3.096 10 30 EGEELO CC(C)(C#N)c1ccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)cc1 ZINC000614175611 460039015 /nfs/dbraw/zinc/03/90/15/460039015.db2.gz ZOCMFBHRXLJMBR-IBGZPJMESA-N 1 2 333.435 3.161 10 30 EGEELO CC(C)(C#N)c1ccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)cc1 ZINC000614175611 460039023 /nfs/dbraw/zinc/03/90/23/460039023.db2.gz ZOCMFBHRXLJMBR-IBGZPJMESA-N 1 2 333.435 3.161 10 30 EGEELO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000589497409 460094800 /nfs/dbraw/zinc/09/48/00/460094800.db2.gz CJVHIYPMQUIVOU-AWEZNQCLSA-N 1 2 338.480 3.430 10 30 EGEELO Cc1[nH+]c2ccccc2n1CC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594142356 460124618 /nfs/dbraw/zinc/12/46/18/460124618.db2.gz XQJIVUQFVRYCJR-UHFFFAOYSA-N 1 2 344.418 3.412 10 30 EGEELO CC1(C)C[NH+](CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000594237130 460164398 /nfs/dbraw/zinc/16/43/98/460164398.db2.gz AAIRUADBFDGNML-UHFFFAOYSA-N 1 2 336.395 3.026 10 30 EGEELO N#Cc1ccc2ncc(C[NH2+]Cc3c(F)c(F)cc(F)c3F)n2c1 ZINC000610583430 460191000 /nfs/dbraw/zinc/19/10/00/460191000.db2.gz DKPWYDOAFXZYJV-UHFFFAOYSA-N 1 2 334.276 3.052 10 30 EGEELO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cnc(C(=O)OC)cn1 ZINC000599253577 460206702 /nfs/dbraw/zinc/20/67/02/460206702.db2.gz NCVBTIZDZFOTMB-UHFFFAOYSA-N 1 2 337.832 3.166 10 30 EGEELO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnc(C(=O)OC)cn1 ZINC000599253577 460206705 /nfs/dbraw/zinc/20/67/05/460206705.db2.gz NCVBTIZDZFOTMB-UHFFFAOYSA-N 1 2 337.832 3.166 10 30 EGEELO Cc1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1C#N ZINC000599272033 460213604 /nfs/dbraw/zinc/21/36/04/460213604.db2.gz HBYDAWKOUVRGLM-UHFFFAOYSA-N 1 2 325.456 3.091 10 30 EGEELO C=C[C@H](C(=O)OC)[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000599515429 460266308 /nfs/dbraw/zinc/26/63/08/460266308.db2.gz RIAWDBGJJJLYKL-MRXNPFEDSA-N 1 2 347.459 3.099 10 30 EGEELO N#CCC[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000610986887 460272051 /nfs/dbraw/zinc/27/20/51/460272051.db2.gz FUGUISWVVDHPCU-QZTJIDSGSA-N 1 2 337.427 3.275 10 30 EGEELO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675013 460305454 /nfs/dbraw/zinc/30/54/54/460305454.db2.gz GVEXSAFTTJIJCT-HNNXBMFYSA-N 1 2 349.434 3.147 10 30 EGEELO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675013 460305458 /nfs/dbraw/zinc/30/54/58/460305458.db2.gz GVEXSAFTTJIJCT-HNNXBMFYSA-N 1 2 349.434 3.147 10 30 EGEELO N#CCc1cccc2c1CC[N@H+](Cc1nc(-c3ccsc3)no1)C2 ZINC000599686280 460310333 /nfs/dbraw/zinc/31/03/33/460310333.db2.gz ONSPWXCIAFRYOP-UHFFFAOYSA-N 1 2 336.420 3.422 10 30 EGEELO N#CCc1cccc2c1CC[N@@H+](Cc1nc(-c3ccsc3)no1)C2 ZINC000599686280 460310335 /nfs/dbraw/zinc/31/03/35/460310335.db2.gz ONSPWXCIAFRYOP-UHFFFAOYSA-N 1 2 336.420 3.422 10 30 EGEELO CC(=O)Nc1c(C)ccc(NCc2c[nH+]c3ccc(C#N)cn23)c1C ZINC000611287893 460330281 /nfs/dbraw/zinc/33/02/81/460330281.db2.gz FQAFOPGDZLCJNN-UHFFFAOYSA-N 1 2 333.395 3.393 10 30 EGEELO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c1C ZINC000611502564 460379575 /nfs/dbraw/zinc/37/95/75/460379575.db2.gz VGMPJAZPBOIZPW-WBVHZDCISA-N 1 2 331.435 3.230 10 30 EGEELO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c1C ZINC000611502564 460379578 /nfs/dbraw/zinc/37/95/78/460379578.db2.gz VGMPJAZPBOIZPW-WBVHZDCISA-N 1 2 331.435 3.230 10 30 EGEELO Cc1ncc(C[NH+]2CCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)s1 ZINC000619784842 460444666 /nfs/dbraw/zinc/44/46/66/460444666.db2.gz XPKKRIUJERULPC-KRWDZBQOSA-N 1 2 346.887 3.487 10 30 EGEELO C=CC(C)(C)CCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633375459 461063904 /nfs/dbraw/zinc/06/39/04/461063904.db2.gz INTRZDCEXSHOET-UHFFFAOYSA-N 1 2 348.516 3.036 10 30 EGEELO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000660391015 461748902 /nfs/dbraw/zinc/74/89/02/461748902.db2.gz ZKFYMIYWRVDEQB-HDICACEKSA-N 1 2 340.471 3.465 10 30 EGEELO C=CC[C@@H]1CCCC[C@@H]1Nc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000664144049 461956648 /nfs/dbraw/zinc/95/66/48/461956648.db2.gz GHFRAJKEZBPKAJ-YVSFHVDLSA-N 1 2 330.476 3.231 10 30 EGEELO C=CC[C@@H]1CCCC[C@@H]1Nc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000664144049 461956654 /nfs/dbraw/zinc/95/66/54/461956654.db2.gz GHFRAJKEZBPKAJ-YVSFHVDLSA-N 1 2 330.476 3.231 10 30 EGEELO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661168064 462133782 /nfs/dbraw/zinc/13/37/82/462133782.db2.gz LMJWDWYKPOEFFZ-KXBFYZLASA-N 1 2 348.512 3.152 10 30 EGEELO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661168064 462133788 /nfs/dbraw/zinc/13/37/88/462133788.db2.gz LMJWDWYKPOEFFZ-KXBFYZLASA-N 1 2 348.512 3.152 10 30 EGEELO C=CCC[C@H](O)C[N@@H+]1CCOC[C@H]1c1cccc(Br)c1 ZINC000661734531 462388162 /nfs/dbraw/zinc/38/81/62/462388162.db2.gz WJERWBYOFFDVNK-HOTGVXAUSA-N 1 2 340.261 3.150 10 30 EGEELO C=CCC[C@H](O)C[N@H+]1CCOC[C@H]1c1cccc(Br)c1 ZINC000661734531 462388163 /nfs/dbraw/zinc/38/81/63/462388163.db2.gz WJERWBYOFFDVNK-HOTGVXAUSA-N 1 2 340.261 3.150 10 30 EGEELO C=CCCC1(CNC(=O)C(=O)Nc2ccc(C)[nH+]c2C)CCCC1 ZINC000658295285 462461301 /nfs/dbraw/zinc/46/13/01/462461301.db2.gz RMJPBAQVGAJSQZ-UHFFFAOYSA-N 1 2 329.444 3.280 10 30 EGEELO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1nnc(CCCCC)s1 ZINC000662087981 462522474 /nfs/dbraw/zinc/52/24/74/462522474.db2.gz RVEGFOONEPNSLC-OKILXGFUSA-N 1 2 334.489 3.392 10 30 EGEELO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1nnc(CCCCC)s1 ZINC000662087981 462522476 /nfs/dbraw/zinc/52/24/76/462522476.db2.gz RVEGFOONEPNSLC-OKILXGFUSA-N 1 2 334.489 3.392 10 30 EGEELO C=C(C)[C@@H](CO)Sc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000671164475 548254981 /nfs/dbraw/zinc/25/49/81/548254981.db2.gz JSDBVPNQVKHZHG-CQSZACIVSA-N 1 2 346.843 3.498 10 30 EGEELO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733969531 575419229 /nfs/dbraw/zinc/41/92/29/575419229.db2.gz KDTREWWDPQOKIR-UHFFFAOYSA-N 1 2 331.335 3.150 10 30 EGEELO COc1c(C)c[nH+]c(COC(=O)[C@H](C)Oc2ccccc2C#N)c1C ZINC000736774980 576025950 /nfs/dbraw/zinc/02/59/50/576025950.db2.gz HTJCWXPGWUMFRO-AWEZNQCLSA-N 1 2 340.379 3.089 10 30 EGEELO COC(=O)[C@@H]([NH2+]CCc1c[nH]c2c1cccc2C)c1ccc(C#N)cc1 ZINC000743481972 576810110 /nfs/dbraw/zinc/81/01/10/576810110.db2.gz SYKZWGFDMKHWQS-FQEVSTJZSA-N 1 2 347.418 3.394 10 30 EGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CN1C[C@@H](CC(C)C)CC1=O ZINC000744434562 576828195 /nfs/dbraw/zinc/82/81/95/576828195.db2.gz UHHNDXNYSHJNCC-KRWDZBQOSA-N 1 2 345.443 3.435 10 30 EGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CN1C[C@@H](CC(C)C)CC1=O ZINC000744434562 576828196 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ZINC001329586018 1389166674 /nfs/dbraw/zinc/16/66/74/1389166674.db2.gz AHBRREZQUYASHA-HUUCEWRRSA-N 1 2 333.451 3.460 10 30 EGEELO CCC[C@@H](CC)C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001329586018 1389166680 /nfs/dbraw/zinc/16/66/80/1389166680.db2.gz AHBRREZQUYASHA-HUUCEWRRSA-N 1 2 333.451 3.460 10 30 EGEELO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[C@@H](OCC)C(C)C)C(C)(C)C1 ZINC001330208735 1389340547 /nfs/dbraw/zinc/34/05/47/1389340547.db2.gz GJSVWXLHKCCZAW-CABCVRRESA-N 1 2 330.900 3.017 10 30 EGEELO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[C@@H](OCC)C(C)C)C(C)(C)C1 ZINC001330208735 1389340549 /nfs/dbraw/zinc/34/05/49/1389340549.db2.gz GJSVWXLHKCCZAW-CABCVRRESA-N 1 2 330.900 3.017 10 30 EGEELO C=CCC1(C(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c2nnc(C)o2)CCCCC1 ZINC001331643836 1389842754 /nfs/dbraw/zinc/84/27/54/1389842754.db2.gz JQWVDANOYJYICC-CABCVRRESA-N 1 2 348.491 3.402 10 30 EGEELO C=CCC1(C(=O)N(C)C[C@@H](C)[NH2+]Cc2nnc(C(C)C)o2)CCCC1 ZINC001331662842 1389849722 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347.507 3.015 10 30 EGEELO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](OC)CC[C@H]1C ZINC001342329773 1390601721 /nfs/dbraw/zinc/60/17/21/1390601721.db2.gz OZPNBSXCEMFREU-IKGGRYGDSA-N 1 2 347.507 3.015 10 30 EGEELO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(CCF)CC1 ZINC001343546314 1390721788 /nfs/dbraw/zinc/72/17/88/1390721788.db2.gz PFVRQKYGBGPPSR-INIZCTEOSA-N 1 2 335.471 3.197 10 30 EGEELO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(CCF)CC1 ZINC001343546314 1390721790 /nfs/dbraw/zinc/72/17/90/1390721790.db2.gz PFVRQKYGBGPPSR-INIZCTEOSA-N 1 2 335.471 3.197 10 30 EGEELO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NCC2(CC#N)CC2)C1 ZINC001346320318 1390921683 /nfs/dbraw/zinc/92/16/83/1390921683.db2.gz XYNSDPDVAMVSOT-OAHLLOKOSA-N 1 2 343.475 3.221 10 30 EGEELO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)C2(C#N)CC3(CC3)C2)C1 ZINC001347576593 1391095124 /nfs/dbraw/zinc/09/51/24/1391095124.db2.gz SGXLNIURKWPFFR-HNNXBMFYSA-N 1 2 340.471 3.428 10 30 EGEELO CCC[C@H](CC)C(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccccc1C#N ZINC001479252685 1392199572 /nfs/dbraw/zinc/19/95/72/1392199572.db2.gz FVDREZANQZNVPP-LPHOPBHVSA-N 1 2 327.472 3.417 10 30 EGEELO CN(C(=O)CC1(C)CC1)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001479888568 1392459511 /nfs/dbraw/zinc/45/95/11/1392459511.db2.gz HWLWPZZDKYTYCC-UHFFFAOYSA-N 1 2 343.446 3.310 10 30 EGEELO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC001479952998 1392490762 /nfs/dbraw/zinc/49/07/62/1392490762.db2.gz XIWVTHJAKPLQML-DZGCQCFKSA-N 1 2 336.838 3.390 10 30 EGEELO CC(C)C#CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC001479952998 1392490764 /nfs/dbraw/zinc/49/07/64/1392490764.db2.gz XIWVTHJAKPLQML-DZGCQCFKSA-N 1 2 336.838 3.390 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(OCCCC)cc2)C1 ZINC001479970647 1392506552 /nfs/dbraw/zinc/50/65/52/1392506552.db2.gz JDBQCHVXPKQIRT-MRXNPFEDSA-N 1 2 336.863 3.422 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(OCCCC)cc2)C1 ZINC001479970647 1392506553 /nfs/dbraw/zinc/50/65/53/1392506553.db2.gz JDBQCHVXPKQIRT-MRXNPFEDSA-N 1 2 336.863 3.422 10 30 EGEELO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001480330753 1392689650 /nfs/dbraw/zinc/68/96/50/1392689650.db2.gz OHSAHDCFJAPZHB-CVEARBPZSA-N 1 2 342.911 3.305 10 30 EGEELO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001480330753 1392689653 /nfs/dbraw/zinc/68/96/53/1392689653.db2.gz OHSAHDCFJAPZHB-CVEARBPZSA-N 1 2 342.911 3.305 10 30 EGEELO O=C(C=C1CCC1)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001481034574 1393102271 /nfs/dbraw/zinc/10/22/71/1393102271.db2.gz BFKQGOIXMGZWTA-GOSISDBHSA-N 1 2 342.870 3.382 10 30 EGEELO O=C(C=C1CCC1)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001481034574 1393102272 /nfs/dbraw/zinc/10/22/72/1393102272.db2.gz BFKQGOIXMGZWTA-GOSISDBHSA-N 1 2 342.870 3.382 10 30 EGEELO CC(C)(C)C#CC(=O)NCC[N@H+](Cc1cc(O)ccc1Cl)C1CC1 ZINC001481169312 1393140428 /nfs/dbraw/zinc/14/04/28/1393140428.db2.gz OVKOYYKELBJMKY-UHFFFAOYSA-N 1 2 348.874 3.176 10 30 EGEELO CC(C)(C)C#CC(=O)NCC[N@@H+](Cc1cc(O)ccc1Cl)C1CC1 ZINC001481169312 1393140429 /nfs/dbraw/zinc/14/04/29/1393140429.db2.gz OVKOYYKELBJMKY-UHFFFAOYSA-N 1 2 348.874 3.176 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001481185116 1393144800 /nfs/dbraw/zinc/14/48/00/1393144800.db2.gz WHVHKKVPGONYLV-FQEVSTJZSA-N 1 2 325.456 3.241 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001481185116 1393144801 /nfs/dbraw/zinc/14/48/01/1393144801.db2.gz WHVHKKVPGONYLV-FQEVSTJZSA-N 1 2 325.456 3.241 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001490407785 1394217536 /nfs/dbraw/zinc/21/75/36/1394217536.db2.gz SREDWGSNOGKUBJ-HNNXBMFYSA-N 1 2 330.476 3.063 10 30 EGEELO C#CCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001490554799 1394255949 /nfs/dbraw/zinc/25/59/49/1394255949.db2.gz WUKSTPCDAZWFCM-MRXNPFEDSA-N 1 2 333.501 3.034 10 30 EGEELO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001490554799 1394255953 /nfs/dbraw/zinc/25/59/53/1394255953.db2.gz WUKSTPCDAZWFCM-MRXNPFEDSA-N 1 2 333.501 3.034 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)c2cccnc2)C1 ZINC001481411075 1394270283 /nfs/dbraw/zinc/27/02/83/1394270283.db2.gz UQFOHDAWVOYOBT-RDJZCZTQSA-N 1 2 335.879 3.251 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)c2cccnc2)C1 ZINC001481411075 1394270287 /nfs/dbraw/zinc/27/02/87/1394270287.db2.gz UQFOHDAWVOYOBT-RDJZCZTQSA-N 1 2 335.879 3.251 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001481536290 1394396479 /nfs/dbraw/zinc/39/64/79/1394396479.db2.gz GBURTNUUXJNXOX-KRWDZBQOSA-N 1 2 343.446 3.380 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001481536290 1394396480 /nfs/dbraw/zinc/39/64/80/1394396480.db2.gz GBURTNUUXJNXOX-KRWDZBQOSA-N 1 2 343.446 3.380 10 30 EGEELO C=C(C)C(C)(C)C(=O)NC1C[NH+](CCCOc2ccc(C)c(C)c2)C1 ZINC001481573457 1394410715 /nfs/dbraw/zinc/41/07/15/1394410715.db2.gz ADGMMKSZOHASFR-UHFFFAOYSA-N 1 2 344.499 3.475 10 30 EGEELO O=C(C#CC1CC1)NC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1Cl ZINC001491206141 1394470352 /nfs/dbraw/zinc/47/03/52/1394470352.db2.gz ITPUUUOYXWDNJZ-HNNXBMFYSA-N 1 2 348.849 3.363 10 30 EGEELO O=C(C#CC1CC1)NC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1Cl ZINC001491206141 1394470353 /nfs/dbraw/zinc/47/03/53/1394470353.db2.gz ITPUUUOYXWDNJZ-HNNXBMFYSA-N 1 2 348.849 3.363 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C)sc1C ZINC001491217856 1394477386 /nfs/dbraw/zinc/47/73/86/1394477386.db2.gz ANOIJYWFPKHYPS-OAHLLOKOSA-N 1 2 335.517 3.443 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C)sc1C ZINC001491217856 1394477388 /nfs/dbraw/zinc/47/73/88/1394477388.db2.gz ANOIJYWFPKHYPS-OAHLLOKOSA-N 1 2 335.517 3.443 10 30 EGEELO C=CCC1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2snnc2C)CCC1 ZINC001491223190 1394480129 /nfs/dbraw/zinc/48/01/29/1394480129.db2.gz DFJNZLLOOCGJGG-HNNXBMFYSA-N 1 2 348.516 3.064 10 30 EGEELO C=CCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2snnc2C)CCC1 ZINC001491223190 1394480131 /nfs/dbraw/zinc/48/01/31/1394480131.db2.gz DFJNZLLOOCGJGG-HNNXBMFYSA-N 1 2 348.516 3.064 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001481741126 1394486939 /nfs/dbraw/zinc/48/69/39/1394486939.db2.gz IJGCAOGJDBCHEG-XJKSGUPXSA-N 1 2 338.854 3.290 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001481741126 1394486942 /nfs/dbraw/zinc/48/69/42/1394486942.db2.gz IJGCAOGJDBCHEG-XJKSGUPXSA-N 1 2 338.854 3.290 10 30 EGEELO C=CCC1(C(=O)N(C)[C@H](C)C[NH2+]Cc2nnc(C3CC3)o2)CCCC1 ZINC001482374071 1394936488 /nfs/dbraw/zinc/93/64/88/1394936488.db2.gz QXQRPVFNVNVMRY-CQSZACIVSA-N 1 2 346.475 3.020 10 30 EGEELO C=CCCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1noc(C(C)(C)C)n1 ZINC001482444905 1395004751 /nfs/dbraw/zinc/00/47/51/1395004751.db2.gz SNAMMPRTEVXNFF-HNNXBMFYSA-N 1 2 348.491 3.194 10 30 EGEELO C=CCCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1noc(C2CCC2)n1 ZINC001482444328 1395004986 /nfs/dbraw/zinc/00/49/86/1395004986.db2.gz KPNRPCLZJBJNLJ-MRXNPFEDSA-N 1 2 346.475 3.164 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001483865565 1395119951 /nfs/dbraw/zinc/11/99/51/1395119951.db2.gz ZBJWTKSFFUZUCI-LBPRGKRZSA-N 1 2 333.303 3.315 10 30 EGEELO C=C(C)CCC(=O)N(C)C1C[NH+](CCOc2ccc(Cl)cc2)C1 ZINC001483863855 1395120505 /nfs/dbraw/zinc/12/05/05/1395120505.db2.gz DGTPJMZPXLMXLC-UHFFFAOYSA-N 1 2 336.863 3.218 10 30 EGEELO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C)s1 ZINC001484018136 1395190152 /nfs/dbraw/zinc/19/01/52/1395190152.db2.gz SWNOTNGNMVJQJT-XHSDSOJGSA-N 1 2 348.516 3.014 10 30 EGEELO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C)s1 ZINC001484018136 1395190153 /nfs/dbraw/zinc/19/01/53/1395190153.db2.gz SWNOTNGNMVJQJT-XHSDSOJGSA-N 1 2 348.516 3.014 10 30 EGEELO C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001484136327 1395273243 /nfs/dbraw/zinc/27/32/43/1395273243.db2.gz CHMNXYFKJRASIQ-STQMWFEESA-N 1 2 338.389 3.460 10 30 EGEELO C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001484136327 1395273246 /nfs/dbraw/zinc/27/32/46/1395273246.db2.gz CHMNXYFKJRASIQ-STQMWFEESA-N 1 2 338.389 3.460 10 30 EGEELO C=C[C@@H](CC)CC(=O)NC[C@H](C)[N@H+](C)Cc1cnc(Cl)s1 ZINC001485342415 1395816466 /nfs/dbraw/zinc/81/64/66/1395816466.db2.gz SMXYHXJZHRWMRF-RYUDHWBXSA-N 1 2 329.897 3.335 10 30 EGEELO C=C[C@@H](CC)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cnc(Cl)s1 ZINC001485342415 1395816472 /nfs/dbraw/zinc/81/64/72/1395816472.db2.gz SMXYHXJZHRWMRF-RYUDHWBXSA-N 1 2 329.897 3.335 10 30 EGEELO C#CCCCC(=O)N[C@@H](C)C1C[NH+](Cc2c(F)cccc2Cl)C1 ZINC001485503777 1395983695 /nfs/dbraw/zinc/98/36/95/1395983695.db2.gz LBLNBNKMICRIKX-ZDUSSCGKSA-N 1 2 336.838 3.219 10 30 EGEELO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C1 ZINC001485559693 1396014208 /nfs/dbraw/zinc/01/42/08/1396014208.db2.gz TVIZPJVXUVIIFE-GFCCVEGCSA-N 1 2 331.298 3.158 10 30 EGEELO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C1 ZINC001485559693 1396014212 /nfs/dbraw/zinc/01/42/12/1396014212.db2.gz TVIZPJVXUVIIFE-GFCCVEGCSA-N 1 2 331.298 3.158 10 30 EGEELO C=CCCC(=O)N[C@H]1C[N@@H+](Cc2csc(CCC)n2)CC1(C)C ZINC001485562891 1396021386 /nfs/dbraw/zinc/02/13/86/1396021386.db2.gz CQLBRDBROHHDQN-HNNXBMFYSA-N 1 2 335.517 3.388 10 30 EGEELO C=CCCC(=O)N[C@H]1C[N@H+](Cc2csc(CCC)n2)CC1(C)C ZINC001485562891 1396021393 /nfs/dbraw/zinc/02/13/93/1396021393.db2.gz CQLBRDBROHHDQN-HNNXBMFYSA-N 1 2 335.517 3.388 10 30 EGEELO C=CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC001500189957 1396185759 /nfs/dbraw/zinc/18/57/59/1396185759.db2.gz LZGGQMUSDQHQGD-SFHVURJKSA-N 1 2 345.468 3.450 10 30 EGEELO C=CCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC001500189957 1396185762 /nfs/dbraw/zinc/18/57/62/1396185762.db2.gz LZGGQMUSDQHQGD-SFHVURJKSA-N 1 2 345.468 3.450 10 30 EGEELO C=C[C@@](C)(CCOC)C(=O)NC1C[NH+]([C@@H](CC)c2ccc(F)cc2)C1 ZINC001494426447 1396445677 /nfs/dbraw/zinc/44/56/77/1396445677.db2.gz NREJOODHYRDGNP-ICSRJNTNSA-N 1 2 348.462 3.306 10 30 EGEELO C[C@H]1CCC[C@H]1CC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001494556527 1396467425 /nfs/dbraw/zinc/46/74/25/1396467425.db2.gz NLZSUSXISGBYIU-YOEHRIQHSA-N 1 2 343.446 3.072 10 30 EGEELO C=CCC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001495581725 1396543481 /nfs/dbraw/zinc/54/34/81/1396543481.db2.gz DHLUMGPQQJCWKJ-CQSZACIVSA-N 1 2 348.491 3.050 10 30 EGEELO C=CC1(CC(=O)NC/C=C\C[NH2+][C@H](C)c2csnn2)CCCCC1 ZINC001497697850 1396788971 /nfs/dbraw/zinc/78/89/71/1396788971.db2.gz PKRQSGILCXSDMM-ZPIQOJFGSA-N 1 2 348.516 3.388 10 30 EGEELO CC(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)[C@@H]1C ZINC001689290550 1397022011 /nfs/dbraw/zinc/02/20/11/1397022011.db2.gz LJXAZLLSXHHRRH-DYVFJYSZSA-N 1 2 336.838 3.218 10 30 EGEELO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)[C@@H]1C ZINC001689290550 1397022025 /nfs/dbraw/zinc/02/20/25/1397022025.db2.gz LJXAZLLSXHHRRH-DYVFJYSZSA-N 1 2 336.838 3.218 10 30 EGEELO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001690037419 1404274557 /nfs/dbraw/zinc/27/45/57/1404274557.db2.gz CTXXQRAWXFDHAH-BBRMVZONSA-N 1 2 332.394 3.020 10 30 EGEELO C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001690037419 1404274561 /nfs/dbraw/zinc/27/45/61/1404274561.db2.gz CTXXQRAWXFDHAH-BBRMVZONSA-N 1 2 332.394 3.020 10 30 EGEELO C[N@H+](CCNC(=O)C(F)=C1CCCC1)Cc1cc(C#N)ccc1F ZINC001690934670 1404841864 /nfs/dbraw/zinc/84/18/64/1404841864.db2.gz JLGZWDVEAZRZHI-UHFFFAOYSA-N 1 2 333.382 3.043 10 30 EGEELO C[N@@H+](CCNC(=O)C(F)=C1CCCC1)Cc1cc(C#N)ccc1F ZINC001690934670 1404841875 /nfs/dbraw/zinc/84/18/75/1404841875.db2.gz JLGZWDVEAZRZHI-UHFFFAOYSA-N 1 2 333.382 3.043 10 30 EGEELO CC[N@H+](CCNC(=O)CCC1CCC1)Cc1cc(F)ccc1C#N ZINC001691013942 1404927700 /nfs/dbraw/zinc/92/77/00/1404927700.db2.gz DTSKMVOOYYIGOX-UHFFFAOYSA-N 1 2 331.435 3.216 10 30 EGEELO CC[N@@H+](CCNC(=O)CCC1CCC1)Cc1cc(F)ccc1C#N ZINC001691013942 1404927702 /nfs/dbraw/zinc/92/77/02/1404927702.db2.gz DTSKMVOOYYIGOX-UHFFFAOYSA-N 1 2 331.435 3.216 10 30 EGEELO CC[C@H]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001691038799 1404948654 /nfs/dbraw/zinc/94/86/54/1404948654.db2.gz NRNAFWDUIWFJTN-HNAYVOBHSA-N 1 2 345.462 3.462 10 30 EGEELO CC[C@H]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001691038799 1404948657 /nfs/dbraw/zinc/94/86/57/1404948657.db2.gz NRNAFWDUIWFJTN-HNAYVOBHSA-N 1 2 345.462 3.462 10 30 EGEELO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ncoc1C(C)C ZINC001691095208 1405031487 /nfs/dbraw/zinc/03/14/87/1405031487.db2.gz TYWBWPQLSFSMBH-HZPDHXFCSA-N 1 2 333.476 3.481 10 30 EGEELO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@H+]1Cc1ncoc1C(C)C ZINC001691095208 1405031491 /nfs/dbraw/zinc/03/14/91/1405031491.db2.gz TYWBWPQLSFSMBH-HZPDHXFCSA-N 1 2 333.476 3.481 10 30 EGEELO C=CC1(CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ncccn2)CCCCC1 ZINC001691099570 1405036861 /nfs/dbraw/zinc/03/68/61/1405036861.db2.gz CISFTWJDQHCUCY-KRWDZBQOSA-N 1 2 342.487 3.084 10 30 EGEELO C=CC1(CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ncccn2)CCCCC1 ZINC001691099570 1405036865 /nfs/dbraw/zinc/03/68/65/1405036865.db2.gz CISFTWJDQHCUCY-KRWDZBQOSA-N 1 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C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)[C@@H]1C ZINC001691722522 1405446860 /nfs/dbraw/zinc/44/68/60/1405446860.db2.gz IQQAAPPMVIBNMS-PTSWNOGYSA-N 1 2 345.487 3.235 10 30 EGEELO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001691820374 1405537185 /nfs/dbraw/zinc/53/71/85/1405537185.db2.gz HNSYWYRITBKDGQ-GASCZTMLSA-N 1 2 329.469 3.151 10 30 EGEELO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001691820374 1405537187 /nfs/dbraw/zinc/53/71/87/1405537187.db2.gz HNSYWYRITBKDGQ-GASCZTMLSA-N 1 2 329.469 3.151 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC[C@@H](C)CC)[C@H]1C ZINC001692214204 1405848598 /nfs/dbraw/zinc/84/85/98/1405848598.db2.gz SZWUHUASAYBHIK-YUTCNCBUSA-N 1 2 331.298 3.300 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC[C@@H](C)CC)[C@H]1C ZINC001692214204 1405848603 /nfs/dbraw/zinc/84/86/03/1405848603.db2.gz SZWUHUASAYBHIK-YUTCNCBUSA-N 1 2 331.298 3.300 10 30 EGEELO O=C(CCCC1CC1)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001692325098 1405943747 /nfs/dbraw/zinc/94/37/47/1405943747.db2.gz OHEPLZHYIRIZSF-UHFFFAOYSA-N 1 2 344.886 3.320 10 30 EGEELO CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001698559538 1406158560 /nfs/dbraw/zinc/15/85/60/1406158560.db2.gz CDCJBDVLUDCCTA-CHWSQXEVSA-N 1 2 326.378 3.390 10 30 EGEELO CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001698559538 1406158570 /nfs/dbraw/zinc/15/85/70/1406158570.db2.gz CDCJBDVLUDCCTA-CHWSQXEVSA-N 1 2 326.378 3.390 10 30 EGEELO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC001698558031 1406157447 /nfs/dbraw/zinc/15/74/47/1406157447.db2.gz PGJTZKHFEIUTGK-OAHLLOKOSA-N 1 2 335.517 3.440 10 30 EGEELO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC001698558031 1406157448 /nfs/dbraw/zinc/15/74/48/1406157448.db2.gz PGJTZKHFEIUTGK-OAHLLOKOSA-N 1 2 335.517 3.440 10 30 EGEELO CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001698559539 1406159176 /nfs/dbraw/zinc/15/91/76/1406159176.db2.gz CDCJBDVLUDCCTA-OLZOCXBDSA-N 1 2 326.378 3.390 10 30 EGEELO CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001698559539 1406159177 /nfs/dbraw/zinc/15/91/77/1406159177.db2.gz CDCJBDVLUDCCTA-OLZOCXBDSA-N 1 2 326.378 3.390 10 30 EGEELO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001732164626 1428406789 /nfs/dbraw/zinc/40/67/89/1428406789.db2.gz FRDRKONQCVFAAL-MRXNPFEDSA-N 1 2 331.460 3.038 10 30 EGEELO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(CC)o2)C1 ZINC001732164626 1428406791 /nfs/dbraw/zinc/40/67/91/1428406791.db2.gz FRDRKONQCVFAAL-MRXNPFEDSA-N 1 2 331.460 3.038 10 30 EGEELO CCC(=CC(=O)N[C@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N)CC ZINC001699446565 1412781209 /nfs/dbraw/zinc/78/12/09/1412781209.db2.gz WTIFKASXTUMPTH-CQSZACIVSA-N 1 2 331.435 3.380 10 30 EGEELO CCC(=CC(=O)N[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N)CC ZINC001699446565 1412781211 /nfs/dbraw/zinc/78/12/11/1412781211.db2.gz WTIFKASXTUMPTH-CQSZACIVSA-N 1 2 331.435 3.380 10 30 EGEELO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC001699673189 1413064264 /nfs/dbraw/zinc/06/42/64/1413064264.db2.gz KWFVBKUXUDMTJT-NVXWUHKLSA-N 1 2 348.516 3.097 10 30 EGEELO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC001699673189 1413064265 /nfs/dbraw/zinc/06/42/65/1413064265.db2.gz KWFVBKUXUDMTJT-NVXWUHKLSA-N 1 2 348.516 3.097 10 30 EGEELO C#CCN(C(=O)CCC(=C)C)C1CC[NH+](Cc2ncc(CC)o2)CC1 ZINC001699781181 1413188263 /nfs/dbraw/zinc/18/82/63/1413188263.db2.gz GXPGTOOOWBFAID-UHFFFAOYSA-N 1 2 343.471 3.020 10 30 EGEELO CCCCCC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001699808644 1413223651 /nfs/dbraw/zinc/22/36/51/1413223651.db2.gz CEIZRKFPJWQDRL-IBGZPJMESA-N 1 2 331.435 3.358 10 30 EGEELO CCCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001699808644 1413223655 /nfs/dbraw/zinc/22/36/55/1413223655.db2.gz CEIZRKFPJWQDRL-IBGZPJMESA-N 1 2 331.435 3.358 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001699827097 1413254518 /nfs/dbraw/zinc/25/45/18/1413254518.db2.gz UMXIUZNIGFJJMU-YVEFUNNKSA-N 1 2 342.817 3.401 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001699827097 1413254520 /nfs/dbraw/zinc/25/45/20/1413254520.db2.gz UMXIUZNIGFJJMU-YVEFUNNKSA-N 1 2 342.817 3.401 10 30 EGEELO C=C(C)C(C)(C)C(=O)NCC1(O)C[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001699915953 1413363512 /nfs/dbraw/zinc/36/35/12/1413363512.db2.gz CXSDFSLVKKCICD-UHFFFAOYSA-N 1 2 344.499 3.075 10 30 EGEELO CCCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccsc1C ZINC001700115361 1413532459 /nfs/dbraw/zinc/53/24/59/1413532459.db2.gz PQQOPFTYOSJQRZ-MRXNPFEDSA-N 1 2 338.517 3.458 10 30 EGEELO CCCCCCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccsc1C ZINC001700115361 1413532461 /nfs/dbraw/zinc/53/24/61/1413532461.db2.gz PQQOPFTYOSJQRZ-MRXNPFEDSA-N 1 2 338.517 3.458 10 30 EGEELO CCCC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC001700306763 1413760160 /nfs/dbraw/zinc/76/01/60/1413760160.db2.gz ANBMRXFLLJHUGX-DOTOQJQBSA-N 1 2 332.875 3.461 10 30 EGEELO CCCC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC001700306763 1413760166 /nfs/dbraw/zinc/76/01/66/1413760166.db2.gz ANBMRXFLLJHUGX-DOTOQJQBSA-N 1 2 332.875 3.461 10 30 EGEELO C=CCC1(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ncc(C)o2)CCC1 ZINC001700358358 1413865565 /nfs/dbraw/zinc/86/55/65/1413865565.db2.gz VYJDLZSTKLUUTE-MRXNPFEDSA-N 1 2 331.460 3.152 10 30 EGEELO C=CCC1(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ncc(C)o2)CCC1 ZINC001700358358 1413865570 /nfs/dbraw/zinc/86/55/70/1413865570.db2.gz VYJDLZSTKLUUTE-MRXNPFEDSA-N 1 2 331.460 3.152 10 30 EGEELO C=CC(C)(C)C(=O)N(C)CC(C)(C)C[NH2+]CC(F)(F)C(F)F ZINC001700444578 1414018539 /nfs/dbraw/zinc/01/85/39/1414018539.db2.gz QYKNTLGVBKBQJM-UHFFFAOYSA-N 1 2 326.378 3.173 10 30 EGEELO CCCC[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C(F)C(F)(F)F ZINC001700517947 1414171156 /nfs/dbraw/zinc/17/11/56/1414171156.db2.gz RWHBQDCEUKQLAA-RKDXNWHRSA-N 1 2 340.283 3.104 10 30 EGEELO CCCC[C@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@@H](F)C(F)(F)F ZINC001700517947 1414171163 /nfs/dbraw/zinc/17/11/63/1414171163.db2.gz RWHBQDCEUKQLAA-RKDXNWHRSA-N 1 2 340.283 3.104 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@H]2CCCCC[N@H+]2Cc2coc(C)n2)C1 ZINC001700527127 1414189970 /nfs/dbraw/zinc/18/99/70/1414189970.db2.gz QZHHZGULKBNSAJ-QGZVFWFLSA-N 1 2 331.460 3.200 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2coc(C)n2)C1 ZINC001700527127 1414189975 /nfs/dbraw/zinc/18/99/75/1414189975.db2.gz QZHHZGULKBNSAJ-QGZVFWFLSA-N 1 2 331.460 3.200 10 30 EGEELO C=CCCCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1cn(C(C)C)nn1 ZINC001700529319 1414194824 /nfs/dbraw/zinc/19/48/24/1414194824.db2.gz SVBDIYMUSCDSKS-SFHVURJKSA-N 1 2 347.507 3.076 10 30 EGEELO C=CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cn(C(C)C)nn1 ZINC001700529319 1414194828 /nfs/dbraw/zinc/19/48/28/1414194828.db2.gz SVBDIYMUSCDSKS-SFHVURJKSA-N 1 2 347.507 3.076 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1C[NH+](Cc2ccncc2Cl)C1 ZINC001700543110 1414211059 /nfs/dbraw/zinc/21/10/59/1414211059.db2.gz NTSNGPSKXHNNHO-UGSOOPFHSA-N 1 2 335.879 3.274 10 30 EGEELO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001700880752 1414537206 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C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000048397919 454485655 /nfs/dbraw/zinc/48/56/55/454485655.db2.gz IXNFALVSLYYMCU-CYBMUJFWSA-N 1 2 332.363 3.354 10 30 EGEELO Cc1ccc(NC(=O)C2CC2)cc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092118804 454526004 /nfs/dbraw/zinc/52/60/04/454526004.db2.gz USMHORHQHLJBTC-UHFFFAOYSA-N 1 2 345.406 3.475 10 30 EGEELO O=C1C[C@H](c2ccccc2)[N@H+](CC#Cc2ccccc2Cl)CCN1 ZINC000135023848 454625722 /nfs/dbraw/zinc/62/57/22/454625722.db2.gz AHRSCVRDTWWTHT-LJQANCHMSA-N 1 2 338.838 3.255 10 30 EGEELO O=C1C[C@H](c2ccccc2)[N@@H+](CC#Cc2ccccc2Cl)CCN1 ZINC000135023848 454625727 /nfs/dbraw/zinc/62/57/27/454625727.db2.gz AHRSCVRDTWWTHT-LJQANCHMSA-N 1 2 338.838 3.255 10 30 EGEELO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000092831680 454643550 /nfs/dbraw/zinc/64/35/50/454643550.db2.gz PVEMJKWDVMUDTC-KRWDZBQOSA-N 1 2 328.437 3.119 10 30 EGEELO C#CCCOc1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000092831680 454643556 /nfs/dbraw/zinc/64/35/56/454643556.db2.gz PVEMJKWDVMUDTC-KRWDZBQOSA-N 1 2 328.437 3.119 10 30 EGEELO CC(C)(C)C[N@H+](CCC#N)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000109813285 454838547 /nfs/dbraw/zinc/83/85/47/454838547.db2.gz BWKRZLNOVCCLDA-GOSISDBHSA-N 1 2 327.472 3.442 10 30 EGEELO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000109813285 454838551 /nfs/dbraw/zinc/83/85/51/454838551.db2.gz BWKRZLNOVCCLDA-GOSISDBHSA-N 1 2 327.472 3.442 10 30 EGEELO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(Cl)nc1 ZINC000177624976 454885001 /nfs/dbraw/zinc/88/50/01/454885001.db2.gz FYZQUTSLFACGDR-UHFFFAOYSA-N 1 2 339.786 3.289 10 30 EGEELO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(Cl)nc1 ZINC000177624976 454885005 /nfs/dbraw/zinc/88/50/05/454885005.db2.gz FYZQUTSLFACGDR-UHFFFAOYSA-N 1 2 339.786 3.289 10 30 EGEELO C#CCOc1ccc(C[NH2+][C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000113334716 454922690 /nfs/dbraw/zinc/92/26/90/454922690.db2.gz PUWPESJEJJFSQF-LJQANCHMSA-N 1 2 332.407 3.004 10 30 EGEELO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 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338.407 3.149 10 30 EGEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000245798216 455380761 /nfs/dbraw/zinc/38/07/61/455380761.db2.gz OYFMAIPRZRNMGD-VQIMIIECSA-N 1 2 346.446 3.097 10 30 EGEELO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000245798216 455380766 /nfs/dbraw/zinc/38/07/66/455380766.db2.gz OYFMAIPRZRNMGD-VQIMIIECSA-N 1 2 346.446 3.097 10 30 EGEELO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1(C)C ZINC000295864152 455861836 /nfs/dbraw/zinc/86/18/36/455861836.db2.gz KYMGNVZAQSRYTR-MRXNPFEDSA-N 1 2 334.423 3.199 10 30 EGEELO C#Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000296460893 455944783 /nfs/dbraw/zinc/94/47/83/455944783.db2.gz VHQZNZFDHYVMFL-UHFFFAOYSA-N 1 2 348.450 3.053 10 30 EGEELO CCCC[C@H](ON=C(C)C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000272773339 456067341 /nfs/dbraw/zinc/06/73/41/456067341.db2.gz SVWDKGXLHKPQJI-SFHVURJKSA-N 1 2 342.443 3.460 10 30 EGEELO C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 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10 30 EGEELO COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2Cc2cc(F)ccc2C#N)c1 ZINC000282434652 456513429 /nfs/dbraw/zinc/51/34/29/456513429.db2.gz ZDKDEJWWPRWJTH-MJGOQNOKSA-N 1 2 326.371 3.014 10 30 EGEELO COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2Cc2cc(F)ccc2C#N)c1 ZINC000282434652 456513435 /nfs/dbraw/zinc/51/34/35/456513435.db2.gz ZDKDEJWWPRWJTH-MJGOQNOKSA-N 1 2 326.371 3.014 10 30 EGEELO C/C=C\C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)OCC ZINC000348433499 456686701 /nfs/dbraw/zinc/68/67/01/456686701.db2.gz DREYRWMMNONXHT-SIEMBAAWSA-N 1 2 341.455 3.015 10 30 EGEELO C/C=C/C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)OCC ZINC000348433497 456687135 /nfs/dbraw/zinc/68/71/35/456687135.db2.gz DREYRWMMNONXHT-MEDHRJKHSA-N 1 2 341.455 3.015 10 30 EGEELO Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000338187161 456693208 /nfs/dbraw/zinc/69/32/08/456693208.db2.gz HMXPGHPGQOVXDU-GOSISDBHSA-N 1 2 334.423 3.446 10 30 EGEELO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1nc(COC)cs1 ZINC000328588770 456713693 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Cc1nc(CC2CC2)oc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000330012777 456974427 /nfs/dbraw/zinc/97/44/27/456974427.db2.gz LCLJWFRNYMEKNK-UHFFFAOYSA-N 1 2 332.429 3.016 10 30 EGEELO N#Cc1ccnc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000339260812 457025349 /nfs/dbraw/zinc/02/53/49/457025349.db2.gz KEUOSILPBGWPJR-UHFFFAOYSA-N 1 2 343.390 3.405 10 30 EGEELO Cc1nc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)ccc1C#N ZINC000356590779 457072043 /nfs/dbraw/zinc/07/20/43/457072043.db2.gz BMDOQFOMCQQHKQ-UHFFFAOYSA-N 1 2 328.335 3.164 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)C2 ZINC000354303240 457184369 /nfs/dbraw/zinc/18/43/69/457184369.db2.gz SRRLQWHROOUKOQ-BBRMVZONSA-N 1 2 336.439 3.387 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000354303240 457184372 /nfs/dbraw/zinc/18/43/72/457184372.db2.gz SRRLQWHROOUKOQ-BBRMVZONSA-N 1 2 336.439 3.387 10 30 EGEELO N#CCCC[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccccc1 ZINC000352199523 457347760 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/nfs/dbraw/zinc/29/08/23/1302290823.db2.gz PMDGEAWGHQDKNB-SSDOTTSWSA-N 1 2 342.130 3.244 10 30 EGEELO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1SC1CCCC1 ZINC000884086588 1302726370 /nfs/dbraw/zinc/72/63/70/1302726370.db2.gz BYWVZKPTOGUTMC-AWEZNQCLSA-N 1 2 348.468 3.106 10 30 EGEELO CC(C)(C)OC(=O)C1([NH2+]C[C@H](O)CC2(C#N)CCC2)CCCCC1 ZINC000886085913 1303350908 /nfs/dbraw/zinc/35/09/08/1303350908.db2.gz FDUHWSYSAOTIQD-OAHLLOKOSA-N 1 2 336.476 3.065 10 30 EGEELO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886273660 1303417056 /nfs/dbraw/zinc/41/70/56/1303417056.db2.gz DLSDHUYCYJFXHJ-FXAWDEMLSA-N 1 2 325.456 3.288 10 30 EGEELO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886273660 1303417058 /nfs/dbraw/zinc/41/70/58/1303417058.db2.gz DLSDHUYCYJFXHJ-FXAWDEMLSA-N 1 2 325.456 3.288 10 30 EGEELO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858025795 1328664288 /nfs/dbraw/zinc/66/42/88/1328664288.db2.gz MEMAGHMANQWMRE-LJQANCHMSA-N 1 2 334.423 3.269 10 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CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cccc(C#N)c2O)[C@]12CCCO2 ZINC000926163779 1325452997 /nfs/dbraw/zinc/45/29/97/1325452997.db2.gz JKCMDWRDVQIWJX-SFNKJDCFSA-N 1 2 330.428 3.031 10 30 EGEELO CC[C@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1cccc(C#N)c1O ZINC000926253724 1325492834 /nfs/dbraw/zinc/49/28/34/1325492834.db2.gz INPICXYSVSIKRM-SJORKVTESA-N 1 2 326.444 3.478 10 30 EGEELO N#CCc1cccc2c1CC[N@@H+](CN1C(=O)C[C@H]1c1ccccc1)C2 ZINC000863336456 1329548127 /nfs/dbraw/zinc/54/81/27/1329548127.db2.gz QRKMKUIWCTVASY-FQEVSTJZSA-N 1 2 331.419 3.042 10 30 EGEELO N#CCc1cccc2c1CC[N@H+](CN1C(=O)C[C@H]1c1ccccc1)C2 ZINC000863336456 1329548129 /nfs/dbraw/zinc/54/81/29/1329548129.db2.gz QRKMKUIWCTVASY-FQEVSTJZSA-N 1 2 331.419 3.042 10 30 EGEELO CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1O ZINC000933651203 1329909531 /nfs/dbraw/zinc/90/95/31/1329909531.db2.gz GEXFMYRWEYTUKM-UHFFFAOYSA-N 1 2 349.814 3.086 10 30 EGEELO C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000866258281 1330086362 /nfs/dbraw/zinc/08/63/62/1330086362.db2.gz QGCAJTVIEURTQM-CYBMUJFWSA-N 1 2 345.443 3.314 10 30 EGEELO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866268464 1330088326 /nfs/dbraw/zinc/08/83/26/1330088326.db2.gz WLKYNKKWITXYPN-KUHUBIRLSA-N 1 2 340.423 3.435 10 30 EGEELO C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cccc(C#N)c1O ZINC000866272305 1330088626 /nfs/dbraw/zinc/08/86/26/1330088626.db2.gz VDXYZPASPCVNNH-LRDDRELGSA-N 1 2 345.443 3.218 10 30 EGEELO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866308935 1330094217 /nfs/dbraw/zinc/09/42/17/1330094217.db2.gz JPMVFNPZCGXDBF-STQMWFEESA-N 1 2 333.432 3.075 10 30 EGEELO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cccc(C#N)c1O ZINC000866345451 1330099565 /nfs/dbraw/zinc/09/95/65/1330099565.db2.gz APBLFHDJKQRNFB-YHJVDBJQSA-N 1 2 340.398 3.220 10 30 EGEELO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(C#N)c1O ZINC000866375891 1330103792 /nfs/dbraw/zinc/10/37/92/1330103792.db2.gz HJPCRTQSVVJSBQ-CZUORRHYSA-N 1 2 325.387 3.332 10 30 EGEELO C[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1cccc(C#N)c1O ZINC000866423392 1330109697 /nfs/dbraw/zinc/10/96/97/1330109697.db2.gz RAMAUNCYXHFBSC-AWEZNQCLSA-N 1 2 338.407 3.334 10 30 EGEELO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(CC(C)(C)C#N)n2)C1 ZINC000867181132 1330182482 /nfs/dbraw/zinc/18/24/82/1330182482.db2.gz JDQVTTPLVSTQCC-INIZCTEOSA-N 1 2 340.427 3.044 10 30 EGEELO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(CC(C)(C)C#N)n2)C1 ZINC000867181132 1330182484 /nfs/dbraw/zinc/18/24/84/1330182484.db2.gz JDQVTTPLVSTQCC-INIZCTEOSA-N 1 2 340.427 3.044 10 30 EGEELO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1ccsc1 ZINC001323303654 1387329539 /nfs/dbraw/zinc/32/95/39/1387329539.db2.gz UAHGPUXPZZMLEH-QFBILLFUSA-N 1 2 338.476 3.094 10 30 EGEELO C[C@H](C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1ccsc1 ZINC001323303654 1387329543 /nfs/dbraw/zinc/32/95/43/1387329543.db2.gz UAHGPUXPZZMLEH-QFBILLFUSA-N 1 2 338.476 3.094 10 30 EGEELO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1Cc1cn(C(C)C)nc1C ZINC001323307480 1387330466 /nfs/dbraw/zinc/33/04/66/1387330466.db2.gz BQLSLEBZPWKGDT-KRWDZBQOSA-N 1 2 332.492 3.065 10 30 EGEELO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1cn(C(C)C)nc1C ZINC001323307480 1387330471 /nfs/dbraw/zinc/33/04/71/1387330471.db2.gz BQLSLEBZPWKGDT-KRWDZBQOSA-N 1 2 332.492 3.065 10 30 EGEELO C=CCC(CC=C)C(=O)N(C)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001323930784 1387497950 /nfs/dbraw/zinc/49/79/50/1387497950.db2.gz HYZREESNIGONKH-AWEZNQCLSA-N 1 2 345.314 3.481 10 30 EGEELO C=CC(C)(C)CC(=O)NC1(C)CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC001324317879 1387590031 /nfs/dbraw/zinc/59/00/31/1387590031.db2.gz CUYDVYOFSUAWKC-UHFFFAOYSA-N 1 2 348.491 3.266 10 30 EGEELO C#CCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2csc(CCCC)n2)C1 ZINC001324607694 1387695693 /nfs/dbraw/zinc/69/56/93/1387695693.db2.gz LZPRRYFJKJCROX-LJQANCHMSA-N 1 2 347.528 3.370 10 30 EGEELO C#CCCCC(=O)N[C@]1(C)CC[N@H+](Cc2csc(CCCC)n2)C1 ZINC001324607694 1387695707 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C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[C@H](C)c1ccccc1 ZINC001733813753 1430093928 /nfs/dbraw/zinc/09/39/28/1430093928.db2.gz ZKSOPWNESOLDCO-AVRDEDQJSA-N 1 2 346.474 3.357 10 30 EGEELO C[C@H](C#N)C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(Cl)cc2Cl)C1 ZINC001734109254 1437895388 /nfs/dbraw/zinc/89/53/88/1437895388.db2.gz HNHPAWVAOCGCAT-MNOVXSKESA-N 1 2 340.254 3.090 10 30 EGEELO CCCCC(=O)N[C@@H](C)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC001734110014 1437895893 /nfs/dbraw/zinc/89/58/93/1437895893.db2.gz WPFRACJYERWVEP-HNNXBMFYSA-N 1 2 332.875 3.318 10 30 EGEELO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H](CC)OC2CCCC2)CC1 ZINC001734633917 1438195171 /nfs/dbraw/zinc/19/51/71/1438195171.db2.gz MRAGHXNPFGJIAI-QGZVFWFLSA-N 1 2 340.895 3.225 10 30 EGEELO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H](CC)OC2CCCC2)CC1 ZINC001734633917 1438195172 /nfs/dbraw/zinc/19/51/72/1438195172.db2.gz MRAGHXNPFGJIAI-QGZVFWFLSA-N 1 2 340.895 3.225 10 30 EGEELO C=CCCC(=O)N[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)CC(C)C ZINC001738267795 1439065637 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N#Cc1cccnc1N1CC[NH+](CCSc2ccccc2F)CC1 ZINC000070040450 203072270 /nfs/dbraw/zinc/07/22/70/203072270.db2.gz OJQCXBGGXJBAEY-UHFFFAOYSA-N 1 2 342.443 3.007 10 30 EGEELO CN(Cc1cc(Br)cs1)c1ccc(/C(N)=[NH+]/O)cc1 ZINC000042399424 204093568 /nfs/dbraw/zinc/09/35/68/204093568.db2.gz WAFUCZSVNJXOKM-UHFFFAOYSA-N 1 2 340.246 3.242 10 30 EGEELO N#Cc1cccnc1-n1cc(NCc2cn3cc(Cl)ccc3[nH+]2)cn1 ZINC000185850173 144120574 /nfs/dbraw/zinc/12/05/74/144120574.db2.gz RLVVELIUUPMBDY-UHFFFAOYSA-N 1 2 349.785 3.052 10 30 EGEELO C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000361636897 144340589 /nfs/dbraw/zinc/34/05/89/144340589.db2.gz UOBXBMMUXAFDMB-AWEZNQCLSA-N 1 2 346.390 3.365 10 30 EGEELO Cc1cc(C#N)cc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)n1 ZINC000339976282 155059263 /nfs/dbraw/zinc/05/92/63/155059263.db2.gz RJSZCZAQLOTTQT-UHFFFAOYSA-N 1 2 344.821 3.376 10 30 EGEELO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1nnc2n1CCCCC2 ZINC000346140489 164347531 /nfs/dbraw/zinc/34/75/31/164347531.db2.gz PQFHVLHNXJXMEG-CHWSQXEVSA-N 1 2 327.407 3.427 10 30 EGEELO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000118394686 287130853 /nfs/dbraw/zinc/13/08/53/287130853.db2.gz NSLVOTHZEYIIIQ-INIZCTEOSA-N 1 2 325.456 3.344 10 30 EGEELO COc1cc(C[NH2+][C@@H](C)c2nnn(-c3ccccc3)c2C)ccc1C#N ZINC000353649752 165844266 /nfs/dbraw/zinc/84/42/66/165844266.db2.gz OMLQUZNWGYVYAJ-AWEZNQCLSA-N 1 2 347.422 3.307 10 30 EGEELO N#Cc1cccc(N2CC[NH+](Cc3cc(Cl)ccc3F)CC2)n1 ZINC000355461741 166207484 /nfs/dbraw/zinc/20/74/84/166207484.db2.gz XZIUWNVQBRDTQV-UHFFFAOYSA-N 1 2 330.794 3.068 10 30 EGEELO CC[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(C#N)cc1 ZINC000453305422 267195469 /nfs/dbraw/zinc/19/54/69/267195469.db2.gz IFKSCEVDVKGWTD-CQSZACIVSA-N 1 2 333.233 3.295 10 30 EGEELO COC(=O)C(C)(C)c1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000500701332 267356203 /nfs/dbraw/zinc/35/62/03/267356203.db2.gz QLYULEGFVRGTKS-UHFFFAOYSA-N 1 2 348.406 3.269 10 30 EGEELO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC4(CCC4)[C@H]3c3ccco3)C2=O)cc1 ZINC000451853984 268235691 /nfs/dbraw/zinc/23/56/91/268235691.db2.gz MLSTURBZIANSKG-IEBWSBKVSA-N 1 2 347.418 3.484 10 30 EGEELO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC4(CCC4)[C@H]3c3ccco3)C2=O)cc1 ZINC000451853984 268235694 /nfs/dbraw/zinc/23/56/94/268235694.db2.gz MLSTURBZIANSKG-IEBWSBKVSA-N 1 2 347.418 3.484 10 30 EGEELO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046118664 275135809 /nfs/dbraw/zinc/13/58/09/275135809.db2.gz HSKSXVHNDFQICZ-CQSZACIVSA-N 1 2 332.363 3.150 10 30 EGEELO N#Cc1cccnc1N1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000279570457 275340727 /nfs/dbraw/zinc/34/07/27/275340727.db2.gz YNWUVUNXGVVIPG-UHFFFAOYSA-N 1 2 328.366 3.213 10 30 EGEELO N#Cc1csc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)n1 ZINC000564416061 316148855 /nfs/dbraw/zinc/14/88/55/316148855.db2.gz WPUNWXPASOVVJW-AWEZNQCLSA-N 1 2 349.257 3.413 10 30 EGEELO N#Cc1ccc(C[NH+]2CCN(Cc3cc4cccnc4o3)CC2)cc1 ZINC000578833732 325023934 /nfs/dbraw/zinc/02/39/34/325023934.db2.gz LTGVWPXCBAXRCG-UHFFFAOYSA-N 1 2 332.407 3.017 10 30 EGEELO CC1CCC(N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000330516873 457051867 /nfs/dbraw/zinc/05/18/67/457051867.db2.gz FICDZZGNNTURAN-UHFFFAOYSA-N 1 2 332.370 3.370 10 30 EGEELO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164533 460557617 /nfs/dbraw/zinc/55/76/17/460557617.db2.gz DCIDENVPQUUESA-DYESRHJHSA-N 1 2 339.483 3.439 10 30 EGEELO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164533 460557623 /nfs/dbraw/zinc/55/76/23/460557623.db2.gz DCIDENVPQUUESA-DYESRHJHSA-N 1 2 339.483 3.439 10 30 EGEELO Cc1ccc(C[N@H+](C)CC(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000007976148 453142753 /nfs/dbraw/zinc/14/27/53/453142753.db2.gz GGLLEUVTSRSQFE-UHFFFAOYSA-N 1 2 329.425 3.080 10 30 EGEELO Cc1ccc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000007976148 453142760 /nfs/dbraw/zinc/14/27/60/453142760.db2.gz GGLLEUVTSRSQFE-UHFFFAOYSA-N 1 2 329.425 3.080 10 30 EGEELO CCCc1noc([C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000052801460 453845030 /nfs/dbraw/zinc/84/50/30/453845030.db2.gz CWGJADQZYZWQIO-OAHLLOKOSA-N 1 2 339.443 3.167 10 30 EGEELO CCCc1noc([C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000052801460 453845033 /nfs/dbraw/zinc/84/50/33/453845033.db2.gz CWGJADQZYZWQIO-OAHLLOKOSA-N 1 2 339.443 3.167 10 30 EGEELO C=CCOc1ccc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)cc1 ZINC000054218683 453916488 /nfs/dbraw/zinc/91/64/88/453916488.db2.gz GTQXZBCBCOJMAA-UHFFFAOYSA-N 1 2 336.395 3.328 10 30 EGEELO C=CCOc1ccc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)cc1 ZINC000054218683 453916491 /nfs/dbraw/zinc/91/64/91/453916491.db2.gz GTQXZBCBCOJMAA-UHFFFAOYSA-N 1 2 336.395 3.328 10 30 EGEELO C[C@H]([NH2+]Cc1nnc2n1CCC[C@@H]2C(F)(F)F)c1ccc(C#N)cc1 ZINC000089904753 454230854 /nfs/dbraw/zinc/23/08/54/454230854.db2.gz UWJGBQLJVYPEKF-FZMZJTMJSA-N 1 2 349.360 3.440 10 30 EGEELO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCSCC1 ZINC000089981190 454253651 /nfs/dbraw/zinc/25/36/51/454253651.db2.gz YJBFEWDQCJVXLC-AWEZNQCLSA-N 1 2 349.525 3.316 10 30 EGEELO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCSCC1 ZINC000089981190 454253658 /nfs/dbraw/zinc/25/36/58/454253658.db2.gz YJBFEWDQCJVXLC-AWEZNQCLSA-N 1 2 349.525 3.316 10 30 EGEELO C=CCCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000121734265 454470391 /nfs/dbraw/zinc/47/03/91/454470391.db2.gz VMLMMOXFVUJFIN-CYBMUJFWSA-N 1 2 329.213 3.013 10 30 EGEELO C=CCCC[N@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000121734265 454470396 /nfs/dbraw/zinc/47/03/96/454470396.db2.gz VMLMMOXFVUJFIN-CYBMUJFWSA-N 1 2 329.213 3.013 10 30 EGEELO O=C(/C=C/c1cn2ccccc2[nH+]1)c1cccc(N2CCCC2=O)c1 ZINC000064360273 454476127 /nfs/dbraw/zinc/47/61/27/454476127.db2.gz DZDYTBRELGHZRY-MDZDMXLPSA-N 1 2 331.375 3.357 10 30 EGEELO COc1ccc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1C#N ZINC000092917977 454652961 /nfs/dbraw/zinc/65/29/61/454652961.db2.gz YIYLLOKCHBPCNL-UHFFFAOYSA-N 1 2 332.285 3.379 10 30 EGEELO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccnc(C#N)c3)n2)cc1 ZINC000612531172 460653174 /nfs/dbraw/zinc/65/31/74/460653174.db2.gz VOCODVMJOFHPNV-CYBMUJFWSA-N 1 2 333.395 3.416 10 30 EGEELO CCc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000124920971 454783247 /nfs/dbraw/zinc/78/32/47/454783247.db2.gz HBLIZJIEZVZZMG-LPHOPBHVSA-N 1 2 329.444 3.177 10 30 EGEELO CCc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000124920971 454783251 /nfs/dbraw/zinc/78/32/51/454783251.db2.gz HBLIZJIEZVZZMG-LPHOPBHVSA-N 1 2 329.444 3.177 10 30 EGEELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000177641625 454887558 /nfs/dbraw/zinc/88/75/58/454887558.db2.gz HOYSOAOGJWNRCJ-HNNXBMFYSA-N 1 2 329.419 3.115 10 30 EGEELO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177786756 454904721 /nfs/dbraw/zinc/90/47/21/454904721.db2.gz DLUPSPPRJAMEHC-AWEZNQCLSA-N 1 2 335.517 3.267 10 30 EGEELO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177786756 454904725 /nfs/dbraw/zinc/90/47/25/454904725.db2.gz DLUPSPPRJAMEHC-AWEZNQCLSA-N 1 2 335.517 3.267 10 30 EGEELO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1nccs1 ZINC000185068891 455495920 /nfs/dbraw/zinc/49/59/20/455495920.db2.gz ZSJYIEGIMGNVKX-ZWNOBZJWSA-N 1 2 332.429 3.293 10 30 EGEELO CCn1cc[nH+]c1[C@@H](Nc1nccc(C)c1C#N)C1CCOCC1 ZINC000284516176 455698590 /nfs/dbraw/zinc/69/85/90/455698590.db2.gz INCXQBKONBBFGA-INIZCTEOSA-N 1 2 325.416 3.058 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000249098835 455744130 /nfs/dbraw/zinc/74/41/30/455744130.db2.gz PAHHQKQDFNQNGN-RLFYNMQTSA-N 1 2 336.501 3.228 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000249098835 455744137 /nfs/dbraw/zinc/74/41/37/455744137.db2.gz PAHHQKQDFNQNGN-RLFYNMQTSA-N 1 2 336.501 3.228 10 30 EGEELO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000278598553 455841481 /nfs/dbraw/zinc/84/14/81/455841481.db2.gz DSLUPXWHACRKOX-CMPLNLGQSA-N 1 2 343.349 3.369 10 30 EGEELO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000278598553 455841487 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CCOC(=O)c1csc(CC/[NH+]=C/c2cc(OCC)ccc2O)n1 ZINC000188553987 456083240 /nfs/dbraw/zinc/08/32/40/456083240.db2.gz MBVZFIFHDIAWHW-VCHYOVAHSA-N 1 2 348.424 3.086 10 30 EGEELO Cc1ccc2[nH]c([C@H]3CCCN(c4nc(C)cc(C#N)n4)C3)[nH+]c2c1 ZINC000281117671 456138830 /nfs/dbraw/zinc/13/88/30/456138830.db2.gz HEMZINIHCDMQOO-AWEZNQCLSA-N 1 2 332.411 3.225 10 30 EGEELO Cc1cccc([C@H](CNc2ccc(C)c(C#N)n2)[NH+]2CCOCC2)c1 ZINC000302645594 456368683 /nfs/dbraw/zinc/36/86/83/456368683.db2.gz MBQKZIONJLBHGJ-IBGZPJMESA-N 1 2 336.439 3.056 10 30 EGEELO C=CCOc1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000352988318 456430401 /nfs/dbraw/zinc/43/04/01/456430401.db2.gz PQMZKTCUBFBTGK-UHFFFAOYSA-N 1 2 338.451 3.275 10 30 EGEELO CC(C)C[C@@H](CN(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000353363120 456648642 /nfs/dbraw/zinc/64/86/42/456648642.db2.gz KVKJMQUWFYPGLE-NRFANRHFSA-N 1 2 343.515 3.364 10 30 EGEELO C[C@@H]1CCC[C@H](OCC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000328623695 456722287 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3.121 10 30 EGEELO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000897262984 1310252369 /nfs/dbraw/zinc/25/23/69/1310252369.db2.gz DNROFXQSALXBOC-MOPGFXCFSA-N 1 2 340.373 3.121 10 30 EGEELO C#C[C@H]1CCCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000929322148 1328567674 /nfs/dbraw/zinc/56/76/74/1328567674.db2.gz YIFMFIUXIXFNLX-HNNXBMFYSA-N 1 2 332.473 3.149 10 30 EGEELO C#CCC1(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCC1 ZINC000930228186 1328816490 /nfs/dbraw/zinc/81/64/90/1328816490.db2.gz LPNWOVGBDGOUHQ-MRXNPFEDSA-N 1 2 341.455 3.147 10 30 EGEELO N#Cc1ccc(C2(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)CCCC2)cc1 ZINC000859181739 1328939819 /nfs/dbraw/zinc/93/98/19/1328939819.db2.gz UXFPOTWDKXMQFR-LJQANCHMSA-N 1 2 348.450 3.430 10 30 EGEELO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2ccccc21 ZINC000930921710 1329008544 /nfs/dbraw/zinc/00/85/44/1329008544.db2.gz GZVWGWQQGOCPQB-IBGZPJMESA-N 1 2 349.434 3.394 10 30 EGEELO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2ccccc21 ZINC000930921710 1329008548 /nfs/dbraw/zinc/00/85/48/1329008548.db2.gz GZVWGWQQGOCPQB-IBGZPJMESA-N 1 2 349.434 3.394 10 30 EGEELO C=CCC1(CNC(=O)NCc2nc(C[NH+](C)C)cs2)CCCC1 ZINC000922752767 1322610117 /nfs/dbraw/zinc/61/01/17/1322610117.db2.gz VSMUQBCLCZEYQZ-UHFFFAOYSA-N 1 2 336.505 3.140 10 30 EGEELO N#Cc1ccccc1C[N@@H+]1CCOC[C@H]1C[C@H]1CNc2ccccc21 ZINC000923552655 1322775568 /nfs/dbraw/zinc/77/55/68/1322775568.db2.gz QXTDRKMZPZNCFY-RBUKOAKNSA-N 1 2 333.435 3.358 10 30 EGEELO N#Cc1ccccc1C[N@H+]1CCOC[C@H]1C[C@H]1CNc2ccccc21 ZINC000923552655 1322775574 /nfs/dbraw/zinc/77/55/74/1322775574.db2.gz QXTDRKMZPZNCFY-RBUKOAKNSA-N 1 2 333.435 3.358 10 30 EGEELO CC[C@H]([NH2+]CCOc1ccccc1OC)c1cccc(C#N)c1O ZINC000924557560 1323055159 /nfs/dbraw/zinc/05/51/59/1323055159.db2.gz WSYMTYPIHCKILW-INIZCTEOSA-N 1 2 326.396 3.392 10 30 EGEELO CC[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cccc(C#N)c1O ZINC000924608436 1323073267 /nfs/dbraw/zinc/07/32/67/1323073267.db2.gz OPWPKSUPWWOXQY-GOSISDBHSA-N 1 2 337.423 3.207 10 30 EGEELO CC[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cccc(C#N)c1O ZINC000924629301 1323084527 /nfs/dbraw/zinc/08/45/27/1323084527.db2.gz QDCNMAFPXCHXFC-GOSISDBHSA-N 1 2 336.439 3.500 10 30 EGEELO C[NH+](C)Cc1csc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000924764033 1323150588 /nfs/dbraw/zinc/15/05/88/1323150588.db2.gz UOSFNNMTCJNQTB-UHFFFAOYSA-N 1 2 349.847 3.051 10 30 EGEELO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2nn(CC)nc2C)c1 ZINC000925416948 1325146414 /nfs/dbraw/zinc/14/64/14/1325146414.db2.gz YKEPAMIZVYTAFA-XJKSGUPXSA-N 1 2 327.432 3.138 10 30 EGEELO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1cccc(C#N)c1O ZINC000926885026 1327756990 /nfs/dbraw/zinc/75/69/90/1327756990.db2.gz WPGFYWYZFZIRDF-FPMFFAJLSA-N 1 2 328.334 3.414 10 30 EGEELO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cccc(C#N)c1O ZINC000927019174 1327823269 /nfs/dbraw/zinc/82/32/69/1327823269.db2.gz RMHNRCKUUWXYEQ-WBVHZDCISA-N 1 2 330.428 3.033 10 30 EGEELO C[C@H]1C[C@@H]1CO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000863468135 1329555984 /nfs/dbraw/zinc/55/59/84/1329555984.db2.gz QHPPEDWJZXXBFJ-SWLSCSKDSA-N 1 2 333.432 3.004 10 30 EGEELO C[N@H+](CC(F)F)C1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000865590861 1329717218 /nfs/dbraw/zinc/71/72/18/1329717218.db2.gz TYAZLIXAYNQPAM-UHFFFAOYSA-N 1 2 336.411 3.334 10 30 EGEELO C[N@@H+](CC(F)F)C1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000865590861 1329717219 /nfs/dbraw/zinc/71/72/19/1329717219.db2.gz TYAZLIXAYNQPAM-UHFFFAOYSA-N 1 2 336.411 3.334 10 30 EGEELO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cccc(C#N)c1O ZINC000866214344 1330079252 /nfs/dbraw/zinc/07/92/52/1330079252.db2.gz NMHNVIMQBQSSLP-PBHICJAKSA-N 1 2 325.412 3.345 10 30 EGEELO C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1cccc(C#N)c1O ZINC000866212979 1330079319 /nfs/dbraw/zinc/07/93/19/1330079319.db2.gz LVWFIEDNHHUDIA-ACJLOTCBSA-N 1 2 327.403 3.356 10 30 EGEELO COCCOc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866230912 1330081429 /nfs/dbraw/zinc/08/14/29/1330081429.db2.gz ICVXTLKWFVWJTM-AWEZNQCLSA-N 1 2 326.396 3.140 10 30 EGEELO C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc(C#N)c1O ZINC000866343153 1330099244 /nfs/dbraw/zinc/09/92/44/1330099244.db2.gz IVRLVMQXMYQAJA-GHJWDPDVSA-N 1 2 342.361 3.398 10 30 EGEELO C#CCCCCC(=O)N(C)C1C[NH+](CCOc2c(C)cccc2C)C1 ZINC001323909931 1387494191 /nfs/dbraw/zinc/49/41/91/1387494191.db2.gz KKQSZUUWUFYAAJ-UHFFFAOYSA-N 1 2 342.483 3.018 10 30 EGEELO C#CCN(C(=O)C=C(C)C)C1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001324364895 1387609527 /nfs/dbraw/zinc/60/95/27/1387609527.db2.gz NBJLXKZAWPQXGM-UHFFFAOYSA-N 1 2 345.512 3.098 10 30 EGEELO C#CCN(C(=O)CC[C@@H](C)CC)C1CC[NH+](Cc2cscn2)CC1 ZINC001324432342 1387622945 /nfs/dbraw/zinc/62/29/45/1387622945.db2.gz SJZWWBYDZWZOBC-INIZCTEOSA-N 1 2 347.528 3.396 10 30 EGEELO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccon1 ZINC001324532798 1387661078 /nfs/dbraw/zinc/66/10/78/1387661078.db2.gz MOIWSUFHKLWHEX-MSOLQXFVSA-N 1 2 329.444 3.008 10 30 EGEELO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccon1 ZINC001324532798 1387661095 /nfs/dbraw/zinc/66/10/95/1387661095.db2.gz MOIWSUFHKLWHEX-MSOLQXFVSA-N 1 2 329.444 3.008 10 30 EGEELO CC(C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001324577052 1387684791 /nfs/dbraw/zinc/68/47/91/1387684791.db2.gz XYZJLYZCNRVDCQ-IBGZPJMESA-N 1 2 331.435 3.214 10 30 EGEELO CC(C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001324577052 1387684793 /nfs/dbraw/zinc/68/47/93/1387684793.db2.gz XYZJLYZCNRVDCQ-IBGZPJMESA-N 1 2 331.435 3.214 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)C(C)=C2CCCC2)C1 ZINC001324601319 1387692321 /nfs/dbraw/zinc/69/23/21/1387692321.db2.gz LJBCCVGDLNYLQB-INIZCTEOSA-N 1 2 341.293 3.366 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)C(C)=C2CCCC2)C1 ZINC001324601319 1387692327 /nfs/dbraw/zinc/69/23/27/1387692327.db2.gz LJBCCVGDLNYLQB-INIZCTEOSA-N 1 2 341.293 3.366 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001324619988 1387703037 /nfs/dbraw/zinc/70/30/37/1387703037.db2.gz OUECQLKQAFROJK-BEFAXECRSA-N 1 2 331.460 3.393 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001324619988 1387703039 /nfs/dbraw/zinc/70/30/39/1387703039.db2.gz OUECQLKQAFROJK-BEFAXECRSA-N 1 2 331.460 3.393 10 30 EGEELO C=C(Br)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001324960062 1387854606 /nfs/dbraw/zinc/85/46/06/1387854606.db2.gz DTXNCFVIGILIMU-IIAWOOMASA-N 1 2 343.309 3.159 10 30 EGEELO C=C(Br)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001324960062 1387854613 /nfs/dbraw/zinc/85/46/13/1387854613.db2.gz DTXNCFVIGILIMU-IIAWOOMASA-N 1 2 343.309 3.159 10 30 EGEELO C=CCCCCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001326654790 1388268705 /nfs/dbraw/zinc/26/87/05/1388268705.db2.gz KUKFAFSKTCSSTR-GOSISDBHSA-N 1 2 348.462 3.311 10 30 EGEELO C=CCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001326654790 1388268707 /nfs/dbraw/zinc/26/87/07/1388268707.db2.gz KUKFAFSKTCSSTR-GOSISDBHSA-N 1 2 348.462 3.311 10 30 EGEELO C=CCC(C)(C)C(=O)N1CCCCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001264121896 1377140018 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331.435 3.214 10 30 EGEELO CCC[C@H](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001266308078 1377266641 /nfs/dbraw/zinc/26/66/41/1377266641.db2.gz PHXCJRNMXJZZMJ-YOEHRIQHSA-N 1 2 331.435 3.214 10 30 EGEELO C#CCCCCCC(=O)N(C)C1C[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC001269831100 1377578664 /nfs/dbraw/zinc/57/86/64/1377578664.db2.gz DAJPPUGDYRWZFZ-QGZVFWFLSA-N 1 2 342.483 3.483 10 30 EGEELO C=CC1(CC(=O)N2C[C@H](C)[C@H]([NH2+]Cc3csnn3)C2)CCCCC1 ZINC001274259521 1378119183 /nfs/dbraw/zinc/11/91/83/1378119183.db2.gz FNQDXTLBPMISSL-GOEBONIOSA-N 1 2 348.516 3.001 10 30 EGEELO O=C(C#Cc1cccs1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001141369302 1378311614 /nfs/dbraw/zinc/31/16/14/1378311614.db2.gz FZHLEJODBVCURB-UHFFFAOYSA-N 1 2 341.823 3.255 10 30 EGEELO C#CCCCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1csc(C2CC2)n1 ZINC001281931943 1378458684 /nfs/dbraw/zinc/45/86/84/1378458684.db2.gz GOHIDZOAEPXBLK-KRWDZBQOSA-N 1 2 345.512 3.247 10 30 EGEELO C#CCCCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1csc(C2CC2)n1 ZINC001281931943 1378458686 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C=CCN(C)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1CC(=C)C ZINC001342039587 1390564288 /nfs/dbraw/zinc/56/42/88/1390564288.db2.gz ZCIQINQJZCYDIY-MRXNPFEDSA-N 1 2 328.464 3.308 10 30 EGEELO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)[C@@H]1CC ZINC001479635665 1392299124 /nfs/dbraw/zinc/29/91/24/1392299124.db2.gz LMLQAPKZYAYCJK-DOTOQJQBSA-N 1 2 345.487 3.379 10 30 EGEELO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)[C@@H]1CC ZINC001479635665 1392299125 /nfs/dbraw/zinc/29/91/25/1392299125.db2.gz LMLQAPKZYAYCJK-DOTOQJQBSA-N 1 2 345.487 3.379 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCCC2CC2)[C@H]1CC ZINC001479640250 1392300920 /nfs/dbraw/zinc/30/09/20/1392300920.db2.gz DUUMEDVSAGGFIZ-LSDHHAIUSA-N 1 2 343.309 3.444 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCCC2CC2)[C@H]1CC ZINC001479640250 1392300922 /nfs/dbraw/zinc/30/09/22/1392300922.db2.gz DUUMEDVSAGGFIZ-LSDHHAIUSA-N 1 2 343.309 3.444 10 30 EGEELO CCC[C@H](C)C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001479900467 1392468521 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C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001481018055 1393093552 /nfs/dbraw/zinc/09/35/52/1393093552.db2.gz WKTBVZXTRXJJBC-ZFWWWQNUSA-N 1 2 342.817 3.259 10 30 EGEELO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001481018055 1393093558 /nfs/dbraw/zinc/09/35/58/1393093558.db2.gz WKTBVZXTRXJJBC-ZFWWWQNUSA-N 1 2 342.817 3.259 10 30 EGEELO CCC[N@H+](CCNC(=O)C#CC(C)(C)C)Cc1c(F)cccc1F ZINC001481135223 1393129815 /nfs/dbraw/zinc/12/98/15/1393129815.db2.gz KCMOXVBXADHGMF-UHFFFAOYSA-N 1 2 336.426 3.343 10 30 EGEELO CCC[N@@H+](CCNC(=O)C#CC(C)(C)C)Cc1c(F)cccc1F ZINC001481135223 1393129816 /nfs/dbraw/zinc/12/98/16/1393129816.db2.gz KCMOXVBXADHGMF-UHFFFAOYSA-N 1 2 336.426 3.343 10 30 EGEELO C=C1CC(C)(C(=O)NCCC[N@@H+](CC)Cc2ncc(Cl)s2)C1 ZINC001490345386 1393177973 /nfs/dbraw/zinc/17/79/73/1393177973.db2.gz NUBXSVAGDRNRSE-UHFFFAOYSA-N 1 2 341.908 3.481 10 30 EGEELO C=C1CC(C)(C(=O)NCCC[N@H+](CC)Cc2ncc(Cl)s2)C1 ZINC001490345386 1393177979 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3.072 10 30 EGEELO C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001481401929 1394250878 /nfs/dbraw/zinc/25/08/78/1394250878.db2.gz VCMXRLLHHXHBTM-SFHVURJKSA-N 1 2 332.492 3.072 10 30 EGEELO C=CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(C3CCCCC3)n2)C1 ZINC001490922434 1394374523 /nfs/dbraw/zinc/37/45/23/1394374523.db2.gz NXCRKWOKINTCMD-WKILWMFISA-N 1 2 346.475 3.210 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)sc2C)C1 ZINC001481527878 1394380600 /nfs/dbraw/zinc/38/06/00/1394380600.db2.gz QCOLNUZOHPRGKS-HZPDHXFCSA-N 1 2 335.517 3.443 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001481527878 1394380604 /nfs/dbraw/zinc/38/06/04/1394380604.db2.gz QCOLNUZOHPRGKS-HZPDHXFCSA-N 1 2 335.517 3.443 10 30 EGEELO C=CC(C)(C)C(=O)NCC1C[NH+](Cc2c(Cl)cccc2OC)C1 ZINC001481639037 1394427644 /nfs/dbraw/zinc/42/76/44/1394427644.db2.gz PWTYGMBTJFPYGI-UHFFFAOYSA-N 1 2 336.863 3.109 10 30 EGEELO C[C@H]1CCC[C@@]1(C)C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001481644133 1394430204 /nfs/dbraw/zinc/43/02/04/1394430204.db2.gz YYOUVOQPIXFOOZ-HRAATJIYSA-N 1 2 342.458 3.052 10 30 EGEELO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC)c(F)c1 ZINC001481671878 1394440525 /nfs/dbraw/zinc/44/05/25/1394440525.db2.gz VGKLJULGRGDEFP-HOTGVXAUSA-N 1 2 346.446 3.222 10 30 EGEELO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC)c(F)c1 ZINC001481671878 1394440527 /nfs/dbraw/zinc/44/05/27/1394440527.db2.gz VGKLJULGRGDEFP-HOTGVXAUSA-N 1 2 346.446 3.222 10 30 EGEELO CCC(CC)[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001481673614 1394441793 /nfs/dbraw/zinc/44/17/93/1394441793.db2.gz GBHVGZXUXXLEJX-XPGWFJOJSA-N 1 2 339.483 3.416 10 30 EGEELO CCC(CC)[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001481673614 1394441796 /nfs/dbraw/zinc/44/17/96/1394441796.db2.gz GBHVGZXUXXLEJX-XPGWFJOJSA-N 1 2 339.483 3.416 10 30 EGEELO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001481701529 1394460614 /nfs/dbraw/zinc/46/06/14/1394460614.db2.gz HSEARTOZMKJWSM-OAHLLOKOSA-N 1 2 336.838 3.219 10 30 EGEELO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001481701529 1394460616 /nfs/dbraw/zinc/46/06/16/1394460616.db2.gz HSEARTOZMKJWSM-OAHLLOKOSA-N 1 2 336.838 3.219 10 30 EGEELO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1Cc2ccccc2O1 ZINC001491212143 1394473658 /nfs/dbraw/zinc/47/36/58/1394473658.db2.gz GNVRQMYZSHMVGS-IRXDYDNUSA-N 1 2 348.874 3.103 10 30 EGEELO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1Cc2ccccc2O1 ZINC001491212143 1394473660 /nfs/dbraw/zinc/47/36/60/1394473660.db2.gz GNVRQMYZSHMVGS-IRXDYDNUSA-N 1 2 348.874 3.103 10 30 EGEELO C=CC(C)(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccc(CF)cc2)CCO1 ZINC001482187925 1394792544 /nfs/dbraw/zinc/79/25/44/1394792544.db2.gz CMKXEGONYLWGAA-SFHVURJKSA-N 1 2 348.462 3.075 10 30 EGEELO C=CC(C)(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(CF)cc2)CCO1 ZINC001482187925 1394792551 /nfs/dbraw/zinc/79/25/51/1394792551.db2.gz CMKXEGONYLWGAA-SFHVURJKSA-N 1 2 348.462 3.075 10 30 EGEELO C=C(C)C(C)(C)C(=O)NC[C@@H]([NH2+]Cc1noc(C(C)C)n1)C(C)C ZINC001698973419 1406739528 /nfs/dbraw/zinc/73/95/28/1406739528.db2.gz XUPMCWUGDHNXNM-CQSZACIVSA-N 1 2 336.480 3.026 10 30 EGEELO CC(C)C#CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001484046600 1395210149 /nfs/dbraw/zinc/21/01/49/1395210149.db2.gz WIYFBHIXKVWFOJ-SFHVURJKSA-N 1 2 336.838 3.219 10 30 EGEELO CC(C)C#CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001484046600 1395210152 /nfs/dbraw/zinc/21/01/52/1395210152.db2.gz WIYFBHIXKVWFOJ-SFHVURJKSA-N 1 2 336.838 3.219 10 30 EGEELO CC(C)C#CC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001484046599 1395210427 /nfs/dbraw/zinc/21/04/27/1395210427.db2.gz WIYFBHIXKVWFOJ-GOSISDBHSA-N 1 2 336.838 3.219 10 30 EGEELO CC(C)C#CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001484046599 1395210429 /nfs/dbraw/zinc/21/04/29/1395210429.db2.gz WIYFBHIXKVWFOJ-GOSISDBHSA-N 1 2 336.838 3.219 10 30 EGEELO C#CCCCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001484053271 1395216576 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333.451 3.460 10 30 EGEELO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)CC1CCCC1 ZINC001716015850 1420469615 /nfs/dbraw/zinc/46/96/15/1420469615.db2.gz MHDQICMAUFFANK-AWEZNQCLSA-N 1 2 331.435 3.214 10 30 EGEELO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)CC1CCCC1 ZINC001716015850 1420469617 /nfs/dbraw/zinc/46/96/17/1420469617.db2.gz MHDQICMAUFFANK-AWEZNQCLSA-N 1 2 331.435 3.214 10 30 EGEELO CC[C@@H](C)CCC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001716499972 1420726013 /nfs/dbraw/zinc/72/60/13/1420726013.db2.gz RREUVOQBAWZKDO-CABCVRRESA-N 1 2 333.451 3.460 10 30 EGEELO CC[C@@H](C)CCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001716499972 1420726014 /nfs/dbraw/zinc/72/60/14/1420726014.db2.gz RREUVOQBAWZKDO-CABCVRRESA-N 1 2 333.451 3.460 10 30 EGEELO C=C[C@](C)(CC)C(=O)NCC1([NH2+]Cc2cc(C(C)(C)C)on2)CC1 ZINC001716692732 1420845125 /nfs/dbraw/zinc/84/51/25/1420845125.db2.gz FELKAMKRGRBIDJ-GOSISDBHSA-N 1 2 333.476 3.313 10 30 EGEELO C=CCCCC(=O)NC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(CC)[nH]2)C1 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1421605490 /nfs/dbraw/zinc/60/54/90/1421605490.db2.gz YMCFYWHENRCJAE-KGLIPLIRSA-N 1 2 348.491 3.221 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001717853954 1421665786 /nfs/dbraw/zinc/66/57/86/1421665786.db2.gz NFMCPUWUKXJWDL-ZBFHGGJFSA-N 1 2 333.476 3.363 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001717853954 1421665791 /nfs/dbraw/zinc/66/57/91/1421665791.db2.gz NFMCPUWUKXJWDL-ZBFHGGJFSA-N 1 2 333.476 3.363 10 30 EGEELO C=CCC(C)(C)C(=O)N(C)C1C[NH+](CCOc2ccc(C)cc2)C1 ZINC001733314046 1429498526 /nfs/dbraw/zinc/49/85/26/1429498526.db2.gz YVMJCRUEUJZJDQ-UHFFFAOYSA-N 1 2 330.472 3.119 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)COC/C=C/c2ccccc2)C1 ZINC001733405254 1429601491 /nfs/dbraw/zinc/60/14/91/1429601491.db2.gz GOAVVYKLEUFHCJ-AIADIJKESA-N 1 2 348.874 3.050 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)COC/C=C/c2ccccc2)C1 ZINC001733405254 1429601495 /nfs/dbraw/zinc/60/14/95/1429601495.db2.gz GOAVVYKLEUFHCJ-AIADIJKESA-N 1 2 348.874 3.050 10 30 EGEELO CC(C)C#CC(=O)N[C@]1(C)CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001733404558 1429600407 /nfs/dbraw/zinc/60/04/07/1429600407.db2.gz VQJQSDOUEYSEHP-GOSISDBHSA-N 1 2 336.838 3.219 10 30 EGEELO CC(C)C#CC(=O)N[C@]1(C)CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001733404558 1429600408 /nfs/dbraw/zinc/60/04/08/1429600408.db2.gz VQJQSDOUEYSEHP-GOSISDBHSA-N 1 2 336.838 3.219 10 30 EGEELO C=CCCC(=O)N(C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001720994936 1423011125 /nfs/dbraw/zinc/01/11/25/1423011125.db2.gz GQNLHVZLYHWCRH-KRWDZBQOSA-N 1 2 343.471 3.036 10 30 EGEELO C=C(C)C(C)(C)C(=O)NCC1(C)CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC001733450338 1429662014 /nfs/dbraw/zinc/66/20/14/1429662014.db2.gz QLMVMSQGGXSOBE-CQSZACIVSA-N 1 2 348.491 3.260 10 30 EGEELO C=CCCC(=O)NCC1(O)C[NH+]([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001733497304 1429717509 /nfs/dbraw/zinc/71/75/09/1429717509.db2.gz IKIMYOPHRNGBCV-MRXNPFEDSA-N 1 2 330.472 3.000 10 30 EGEELO Cc1scc(C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)c1C ZINC001723647914 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N#Cc1ccc(OCCC[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000125760348 162287750 /nfs/dbraw/zinc/28/77/50/162287750.db2.gz GHSIZKIKNRXCES-GOSISDBHSA-N 1 2 328.437 3.462 10 30 EGEELO N#Cc1csc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459656890 270054619 /nfs/dbraw/zinc/05/46/19/270054619.db2.gz WGVQLXSETUBGDP-LBPRGKRZSA-N 1 2 345.390 3.196 10 30 EGEELO N#Cc1csc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459656890 270054621 /nfs/dbraw/zinc/05/46/21/270054621.db2.gz WGVQLXSETUBGDP-LBPRGKRZSA-N 1 2 345.390 3.196 10 30 EGEELO N#Cc1cccc(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000530908621 268278714 /nfs/dbraw/zinc/27/87/14/268278714.db2.gz YKCFDXNNENQZMA-UHFFFAOYSA-N 1 2 346.390 3.015 10 30 EGEELO O=C1c2ccc(O)c(C[NH+]3CCCCC3)c2O/C1=C\c1ccccn1 ZINC000041511069 275031120 /nfs/dbraw/zinc/03/11/20/275031120.db2.gz DBWATGHZSDAAKF-PDGQHHTCSA-N 1 2 336.391 3.389 10 30 EGEELO Cc1cc(N2CCN(c3ncccc3C#N)CC2)c2cccc(F)c2[nH+]1 ZINC000120682504 280560551 /nfs/dbraw/zinc/56/05/51/280560551.db2.gz VWFISTCQZSDYMU-UHFFFAOYSA-N 1 2 347.397 3.276 10 30 EGEELO COc1cc(Br)c(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1OC ZINC000061892099 454362252 /nfs/dbraw/zinc/36/22/52/454362252.db2.gz MSEARZSQOWYNMU-MFKMUULPSA-N 1 2 339.233 3.248 10 30 EGEELO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000548481668 315015588 /nfs/dbraw/zinc/01/55/88/315015588.db2.gz NGDIUBYOOXMCPO-CQSZACIVSA-N 1 2 326.831 3.490 10 30 EGEELO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000548752608 315043333 /nfs/dbraw/zinc/04/33/33/315043333.db2.gz LFHZVQAHGMHHII-BETUJISGSA-N 1 2 340.427 3.039 10 30 EGEELO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000548752608 315043334 /nfs/dbraw/zinc/04/33/34/315043334.db2.gz LFHZVQAHGMHHII-BETUJISGSA-N 1 2 340.427 3.039 10 30 EGEELO CNc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000552586716 315226204 /nfs/dbraw/zinc/22/62/04/315226204.db2.gz PPOGIVVABVGKHN-ZDUSSCGKSA-N 1 2 337.427 3.190 10 30 EGEELO CNc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000552586716 315226208 /nfs/dbraw/zinc/22/62/08/315226208.db2.gz PPOGIVVABVGKHN-ZDUSSCGKSA-N 1 2 337.427 3.190 10 30 EGEELO N#Cc1cscc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000555780074 315402168 /nfs/dbraw/zinc/40/21/68/315402168.db2.gz QFTLIHQSFOFTJK-UHFFFAOYSA-N 1 2 332.454 3.314 10 30 EGEELO Cc1[nH+]c2ccccc2n1CCc1noc(Cc2cccc(C#N)c2)n1 ZINC000564808639 316209163 /nfs/dbraw/zinc/20/91/63/316209163.db2.gz QVKCZSIORISTLU-UHFFFAOYSA-N 1 2 343.390 3.433 10 30 EGEELO Cc1csc(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)c1C#N ZINC000568898938 316839121 /nfs/dbraw/zinc/83/91/21/316839121.db2.gz SNSWWXFKCORCJI-UHFFFAOYSA-N 1 2 343.334 3.009 10 30 EGEELO CC1(C#N)CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000226318672 456109289 /nfs/dbraw/zinc/10/92/89/456109289.db2.gz CZHWWEOYRJBWAE-UHFFFAOYSA-N 1 2 338.205 3.483 10 30 EGEELO Cc1ccccc1CC(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000183959837 323636050 /nfs/dbraw/zinc/63/60/50/323636050.db2.gz NLQGYHXZCRWQIX-SFHVURJKSA-N 1 2 347.462 3.315 10 30 EGEELO Cc1c2cc(C#N)ccc2sc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000350522822 324083656 /nfs/dbraw/zinc/08/36/56/324083656.db2.gz DNFHCBZCJRUWOD-UHFFFAOYSA-N 1 2 335.392 3.456 10 30 EGEELO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000579255084 325085188 /nfs/dbraw/zinc/08/51/88/325085188.db2.gz MHIXONAHPMLDDI-CTNGQTDRSA-N 1 2 349.409 3.234 10 30 EGEELO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@](F)(c4ccccc4)C3)C2=O)cc1 ZINC000579255084 325085190 /nfs/dbraw/zinc/08/51/90/325085190.db2.gz MHIXONAHPMLDDI-CTNGQTDRSA-N 1 2 349.409 3.234 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1C ZINC000173314045 455264037 /nfs/dbraw/zinc/26/40/37/455264037.db2.gz UWSHIFDSAJXLGI-SFHVURJKSA-N 1 2 326.444 3.044 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1C ZINC000173314045 455264041 /nfs/dbraw/zinc/26/40/41/455264041.db2.gz UWSHIFDSAJXLGI-SFHVURJKSA-N 1 2 326.444 3.044 10 30 EGEELO Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000612161474 460556569 /nfs/dbraw/zinc/55/65/69/460556569.db2.gz TYBLNXVREZXWGD-PKOBYXMFSA-N 1 2 329.419 3.255 10 30 EGEELO Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CCC[C@](C)(C#N)C2)C1=O ZINC000612161474 460556573 /nfs/dbraw/zinc/55/65/73/460556573.db2.gz TYBLNXVREZXWGD-PKOBYXMFSA-N 1 2 329.419 3.255 10 30 EGEELO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164556 460557209 /nfs/dbraw/zinc/55/72/09/460557209.db2.gz DCIDENVPQUUESA-UWJYYQICSA-N 1 2 339.483 3.439 10 30 EGEELO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164556 460557217 /nfs/dbraw/zinc/55/72/17/460557217.db2.gz DCIDENVPQUUESA-UWJYYQICSA-N 1 2 339.483 3.439 10 30 EGEELO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164624 460557922 /nfs/dbraw/zinc/55/79/22/460557922.db2.gz DYEURMMGZCRJKC-XLIONFOSSA-N 1 2 327.472 3.438 10 30 EGEELO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164624 460557927 /nfs/dbraw/zinc/55/79/27/460557927.db2.gz DYEURMMGZCRJKC-XLIONFOSSA-N 1 2 327.472 3.438 10 30 EGEELO C[C@H](c1ccccc1F)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000052837217 453846821 /nfs/dbraw/zinc/84/68/21/453846821.db2.gz JEYZUGQDDMMNSW-YJYMSZOUSA-N 1 2 329.419 3.160 10 30 EGEELO C[C@H](c1ccccc1F)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000052837217 453846822 /nfs/dbraw/zinc/84/68/22/453846822.db2.gz JEYZUGQDDMMNSW-YJYMSZOUSA-N 1 2 329.419 3.160 10 30 EGEELO N#Cc1cccc(-c2noc([C@@H]3CCCC[N@@H+]3Cc3cnccn3)n2)c1 ZINC000038894453 453943059 /nfs/dbraw/zinc/94/30/59/453943059.db2.gz NFVDWSJSMBWZLJ-KRWDZBQOSA-N 1 2 346.394 3.125 10 30 EGEELO N#Cc1cccc(-c2noc([C@@H]3CCCC[N@H+]3Cc3cnccn3)n2)c1 ZINC000038894453 453943062 /nfs/dbraw/zinc/94/30/62/453943062.db2.gz NFVDWSJSMBWZLJ-KRWDZBQOSA-N 1 2 346.394 3.125 10 30 EGEELO Cc1ccc(C#N)cc1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000069607157 454123741 /nfs/dbraw/zinc/12/37/41/454123741.db2.gz YUPOGWSGXILZKA-UHFFFAOYSA-N 1 2 339.786 3.490 10 30 EGEELO C#CC[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccc(C)cc1 ZINC000060099549 454269578 /nfs/dbraw/zinc/26/95/78/454269578.db2.gz BSHGDAYFDPMUQD-UHFFFAOYSA-N 1 2 332.447 3.015 10 30 EGEELO C#CC[N@@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccc(C)cc1 ZINC000060099549 454269582 /nfs/dbraw/zinc/26/95/82/454269582.db2.gz BSHGDAYFDPMUQD-UHFFFAOYSA-N 1 2 332.447 3.015 10 30 EGEELO C=CCC[C@@H](C[NH+]1CCOCC1)Oc1ccc(-c2ccccc2)nn1 ZINC000072473036 454295729 /nfs/dbraw/zinc/29/57/29/454295729.db2.gz QJVSMKHUZSDLTE-SFHVURJKSA-N 1 2 339.439 3.189 10 30 EGEELO COc1ccc([C@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)cc1F ZINC000097199670 454421773 /nfs/dbraw/zinc/42/17/73/454421773.db2.gz OVIBSXGBCRQPDR-NSHDSACASA-N 1 2 340.362 3.061 10 30 EGEELO Cc1[nH+]c2ccccc2n1CCC(=O)N(CCC#N)Cc1cccnc1 ZINC000133742749 454462564 /nfs/dbraw/zinc/46/25/64/454462564.db2.gz CACYRBYNVWOZIZ-UHFFFAOYSA-N 1 2 347.422 3.072 10 30 EGEELO COc1cccc([C@@H]2C[N@H+](CCOc3ccccc3C#N)CCO2)c1 ZINC000167614967 454922224 /nfs/dbraw/zinc/92/22/24/454922224.db2.gz USPNIUTZLMPGEM-FQEVSTJZSA-N 1 2 338.407 3.019 10 30 EGEELO COc1cccc([C@@H]2C[N@@H+](CCOc3ccccc3C#N)CCO2)c1 ZINC000167614967 454922227 /nfs/dbraw/zinc/92/22/27/454922227.db2.gz USPNIUTZLMPGEM-FQEVSTJZSA-N 1 2 338.407 3.019 10 30 EGEELO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000128477771 455060434 /nfs/dbraw/zinc/06/04/34/455060434.db2.gz OULXNNVSUKEJLC-QGZVFWFLSA-N 1 2 346.477 3.231 10 30 EGEELO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000128477771 455060439 /nfs/dbraw/zinc/06/04/39/455060439.db2.gz OULXNNVSUKEJLC-QGZVFWFLSA-N 1 2 346.477 3.231 10 30 EGEELO C[C@@H](NC(=O)COc1ccccc1C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000173948780 455343885 /nfs/dbraw/zinc/34/38/85/455343885.db2.gz DREKQTUXQVPNKN-OAHLLOKOSA-N 1 2 346.390 3.000 10 30 EGEELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2)[nH]1 ZINC000181671651 455371017 /nfs/dbraw/zinc/37/10/17/455371017.db2.gz IZUHCTMGZZNKKW-LIRRHRJNSA-N 1 2 347.422 3.456 10 30 EGEELO CC1CCN(c2ccc(CNC(=O)C3(C#N)CC4(CC4)C3)c[nH+]2)CC1 ZINC000600999536 460670312 /nfs/dbraw/zinc/67/03/12/460670312.db2.gz ZGEVPCXCKVKYPY-UHFFFAOYSA-N 1 2 338.455 3.018 10 30 EGEELO C=C(C)C[C@@H](C)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000185768063 455618495 /nfs/dbraw/zinc/61/84/95/455618495.db2.gz SOUIFFZQBFUPQH-CVEARBPZSA-N 1 2 336.501 3.182 10 30 EGEELO C=CC[N@@H+](CCC#N)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000293722416 455795996 /nfs/dbraw/zinc/79/59/96/455795996.db2.gz YPNOYFVTEACWTR-OAHLLOKOSA-N 1 2 341.224 3.197 10 30 EGEELO C=CC[N@H+](CCC#N)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000293722416 455796004 /nfs/dbraw/zinc/79/60/04/455796004.db2.gz YPNOYFVTEACWTR-OAHLLOKOSA-N 1 2 341.224 3.197 10 30 EGEELO C[C@@H](c1ccccc1F)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000252452449 455805704 /nfs/dbraw/zinc/80/57/04/455805704.db2.gz JEYZUGQDDMMNSW-ORAYPTAESA-N 1 2 329.419 3.160 10 30 EGEELO C[C@@H](c1ccccc1F)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000252452449 455805707 /nfs/dbraw/zinc/80/57/07/455805707.db2.gz JEYZUGQDDMMNSW-ORAYPTAESA-N 1 2 329.419 3.160 10 30 EGEELO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295561982 455853080 /nfs/dbraw/zinc/85/30/80/455853080.db2.gz XZMXGXHBOCMPHA-KBXCAEBGSA-N 1 2 335.398 3.285 10 30 EGEELO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000295561982 455853082 /nfs/dbraw/zinc/85/30/82/455853082.db2.gz XZMXGXHBOCMPHA-KBXCAEBGSA-N 1 2 335.398 3.285 10 30 EGEELO CN(C)c1[nH+]cccc1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301328429 456091518 /nfs/dbraw/zinc/09/15/18/456091518.db2.gz AKNDXBRETNUSKA-UHFFFAOYSA-N 1 2 348.366 3.088 10 30 EGEELO Cc1ccc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)nc1C#N ZINC000302676738 456372886 /nfs/dbraw/zinc/37/28/86/456372886.db2.gz USXPWRHVPFYBSO-UHFFFAOYSA-N 1 2 335.455 3.409 10 30 EGEELO Cc1ccc(NC2CCN(c3ccc([NH+](C)C)cc3)CC2)nc1C#N ZINC000302676738 456372894 /nfs/dbraw/zinc/37/28/94/456372894.db2.gz USXPWRHVPFYBSO-UHFFFAOYSA-N 1 2 335.455 3.409 10 30 EGEELO C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000623827695 460732692 /nfs/dbraw/zinc/73/26/92/460732692.db2.gz ROLRTPQAGWFAOX-FSPWUOQZSA-N 1 2 349.425 3.318 10 30 EGEELO C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000623827695 460732699 /nfs/dbraw/zinc/73/26/99/460732699.db2.gz ROLRTPQAGWFAOX-FSPWUOQZSA-N 1 2 349.425 3.318 10 30 EGEELO C=CCCc1ccccc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000337605568 456416893 /nfs/dbraw/zinc/41/68/93/456416893.db2.gz PRHFOYZONQWIGT-HOTGVXAUSA-N 1 2 331.460 3.036 10 30 EGEELO Cc1cc[nH+]cc1N1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000340597952 456558370 /nfs/dbraw/zinc/55/83/70/456558370.db2.gz XELDWDZIJKEMNE-UHFFFAOYSA-N 1 2 326.831 3.237 10 30 EGEELO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1nc(COC)cs1 ZINC000328588766 456713421 /nfs/dbraw/zinc/71/34/21/456713421.db2.gz WFMHKSHTLQLQPX-CYBMUJFWSA-N 1 2 349.460 3.279 10 30 EGEELO CCc1nc([C@H](C)NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cs1 ZINC000328661534 456730504 /nfs/dbraw/zinc/73/05/04/456730504.db2.gz WUBILXPXJYBJQX-QWHCGFSZSA-N 1 2 347.488 3.353 10 30 EGEELO C[C@H](C#N)C[N@H+](Cc1cc2c(c(Br)c1)OCO2)C1CC1 ZINC000338354588 456784064 /nfs/dbraw/zinc/78/40/64/456784064.db2.gz SCILLEXWBVDPCR-SNVBAGLBSA-N 1 2 337.217 3.302 10 30 EGEELO C[C@H](C#N)C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)C1CC1 ZINC000338354588 456784070 /nfs/dbraw/zinc/78/40/70/456784070.db2.gz SCILLEXWBVDPCR-SNVBAGLBSA-N 1 2 337.217 3.302 10 30 EGEELO Cc1cn2cc(NC(=O)N3CCO[C@H](C4CCCCC4)C3)ccc2[nH+]1 ZINC000329655405 456922603 /nfs/dbraw/zinc/92/26/03/456922603.db2.gz FRVDNRKBGAMLNV-KRWDZBQOSA-N 1 2 342.443 3.469 10 30 EGEELO N#Cc1ccc(NC(=O)C[NH+]2CC(c3nc4ccccc4s3)C2)cc1 ZINC000358836347 456996470 /nfs/dbraw/zinc/99/64/70/456996470.db2.gz XARXEXUYTWQLBI-UHFFFAOYSA-N 1 2 348.431 3.206 10 30 EGEELO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000362652355 457028080 /nfs/dbraw/zinc/02/80/80/457028080.db2.gz SABTWZIGHQEAGS-HNAYVOBHSA-N 1 2 332.407 3.168 10 30 EGEELO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000362652355 457028090 /nfs/dbraw/zinc/02/80/90/457028090.db2.gz SABTWZIGHQEAGS-HNAYVOBHSA-N 1 2 332.407 3.168 10 30 EGEELO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000358992006 457044037 /nfs/dbraw/zinc/04/40/37/457044037.db2.gz ZIUFXNMFBFTRPX-SFHVURJKSA-N 1 2 333.863 3.233 10 30 EGEELO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000360699959 457325774 /nfs/dbraw/zinc/32/57/74/457325774.db2.gz QTUXSEWAXMKOLH-PBHICJAKSA-N 1 2 326.362 3.322 10 30 EGEELO C=CCCC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000360699959 457325781 /nfs/dbraw/zinc/32/57/81/457325781.db2.gz QTUXSEWAXMKOLH-PBHICJAKSA-N 1 2 326.362 3.322 10 30 EGEELO Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000355969449 457434887 /nfs/dbraw/zinc/43/48/87/457434887.db2.gz SGZPYXWPLVBVIG-UHFFFAOYSA-N 1 2 333.863 3.233 10 30 EGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C1(C#N)CCCCC1)C2 ZINC000408157347 457562172 /nfs/dbraw/zinc/56/21/72/457562172.db2.gz IKSJQRYTNYLCKS-AWEZNQCLSA-N 1 2 328.460 3.086 10 30 EGEELO C[C@@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000374531755 457650918 /nfs/dbraw/zinc/65/09/18/457650918.db2.gz VROWBUVGDUMWMP-GOSISDBHSA-N 1 2 325.437 3.222 10 30 EGEELO C[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000374531755 457650922 /nfs/dbraw/zinc/65/09/22/457650922.db2.gz VROWBUVGDUMWMP-GOSISDBHSA-N 1 2 325.437 3.222 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1C ZINC000426180914 457783279 /nfs/dbraw/zinc/78/32/79/457783279.db2.gz UIVZZNVAEPDKJR-INIZCTEOSA-N 1 2 346.471 3.137 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1C ZINC000426180914 457783287 /nfs/dbraw/zinc/78/32/87/457783287.db2.gz UIVZZNVAEPDKJR-INIZCTEOSA-N 1 2 346.471 3.137 10 30 EGEELO C=CCOc1ccccc1C[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000361648089 457812512 /nfs/dbraw/zinc/81/25/12/457812512.db2.gz NRLRYSUQEUABNZ-KRWDZBQOSA-N 1 2 329.469 3.275 10 30 EGEELO C=CCOc1ccccc1C[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000361648089 457812518 /nfs/dbraw/zinc/81/25/18/457812518.db2.gz NRLRYSUQEUABNZ-KRWDZBQOSA-N 1 2 329.469 3.275 10 30 EGEELO Cc1cc(C#N)ccc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000372181215 458223004 /nfs/dbraw/zinc/22/30/04/458223004.db2.gz SAKKUBKRJLNTCL-SFHVURJKSA-N 1 2 348.381 3.259 10 30 EGEELO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459361700 458344511 /nfs/dbraw/zinc/34/45/11/458344511.db2.gz FXOTXQDOBSXFEO-YJYMSZOUSA-N 1 2 337.379 3.290 10 30 EGEELO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459361700 458344516 /nfs/dbraw/zinc/34/45/16/458344516.db2.gz FXOTXQDOBSXFEO-YJYMSZOUSA-N 1 2 337.379 3.290 10 30 EGEELO C=CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000447991652 458375503 /nfs/dbraw/zinc/37/55/03/458375503.db2.gz VFIOZDBKABRESR-JKSUJKDBSA-N 1 2 339.842 3.490 10 30 EGEELO C=CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000447991652 458375504 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329.444 3.250 10 30 EGEELO COc1cc(F)ccc1N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000437897167 458508275 /nfs/dbraw/zinc/50/82/75/458508275.db2.gz RCXWRKXPZLLWJD-UHFFFAOYSA-N 1 2 342.389 3.147 10 30 EGEELO C=C(C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454720501 458572080 /nfs/dbraw/zinc/57/20/80/458572080.db2.gz GAJQUTTVXBYWRM-HOTGVXAUSA-N 1 2 339.842 3.490 10 30 EGEELO C=C(C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454720501 458572085 /nfs/dbraw/zinc/57/20/85/458572085.db2.gz GAJQUTTVXBYWRM-HOTGVXAUSA-N 1 2 339.842 3.490 10 30 EGEELO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000455232611 458588961 /nfs/dbraw/zinc/58/89/61/458588961.db2.gz NZVPHSSCALSONJ-UHFFFAOYSA-N 1 2 336.439 3.256 10 30 EGEELO N#Cc1cnccc1N1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000546653555 458652727 /nfs/dbraw/zinc/65/27/27/458652727.db2.gz SJTVJKMGEVUMGF-UHFFFAOYSA-N 1 2 330.794 3.068 10 30 EGEELO COc1ccccc1/C=C\C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000506085218 458750007 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C[C@]1(C#N)CC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000595842076 459462546 /nfs/dbraw/zinc/46/25/46/459462546.db2.gz CACHLGRJRLGXPP-CQSZACIVSA-N 1 2 327.197 3.203 10 30 EGEELO COc1cccc(C[N@@H+](Cc2ccncc2C#N)C[C@H]2CCCO2)c1 ZINC000592061466 459518355 /nfs/dbraw/zinc/51/83/55/459518355.db2.gz BZUVRRVDFUHNLT-HXUWFJFHSA-N 1 2 337.423 3.143 10 30 EGEELO COc1cccc(C[N@H+](Cc2ccncc2C#N)C[C@H]2CCCO2)c1 ZINC000592061466 459518361 /nfs/dbraw/zinc/51/83/61/459518361.db2.gz BZUVRRVDFUHNLT-HXUWFJFHSA-N 1 2 337.423 3.143 10 30 EGEELO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592073419 459521022 /nfs/dbraw/zinc/52/10/22/459521022.db2.gz YGMVKMYFEOZCMV-HNNXBMFYSA-N 1 2 340.858 3.485 10 30 EGEELO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccncc1C#N ZINC000592107677 459525461 /nfs/dbraw/zinc/52/54/61/459525461.db2.gz MOANYIXFVWDYSN-JLSDUUJJSA-N 1 2 341.455 3.428 10 30 EGEELO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccncc1C#N ZINC000592107677 459525465 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Cc1[nH+]c2ccccc2n1CCC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594400688 460205932 /nfs/dbraw/zinc/20/59/32/460205932.db2.gz UWJHCNSKJRANAG-UHFFFAOYSA-N 1 2 330.391 3.149 10 30 EGEELO C[C@H]1CCN(C(=O)c2cc3ccccc3n2CC#N)C[C@@H]1n1cc[nH+]c1 ZINC000610729818 460227515 /nfs/dbraw/zinc/22/75/15/460227515.db2.gz BXMRWMKQRQQOKG-KXBFYZLASA-N 1 2 347.422 3.085 10 30 EGEELO C[C@H]1CCN(C(=O)Nc2cc(F)cc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000603070024 460235863 /nfs/dbraw/zinc/23/58/63/460235863.db2.gz AWBQRFXDZSXVHX-BLLLJJGKSA-N 1 2 327.363 3.009 10 30 EGEELO COc1ccccc1C[N@@H+](Cc1ccnc(C#N)c1)C[C@@H]1CCCO1 ZINC000610991787 460272935 /nfs/dbraw/zinc/27/29/35/460272935.db2.gz KDIAHICKSGJMRR-IBGZPJMESA-N 1 2 337.423 3.143 10 30 EGEELO COc1ccccc1C[N@H+](Cc1ccnc(C#N)c1)C[C@@H]1CCCO1 ZINC000610991787 460272939 /nfs/dbraw/zinc/27/29/39/460272939.db2.gz KDIAHICKSGJMRR-IBGZPJMESA-N 1 2 337.423 3.143 10 30 EGEELO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611179568 460302488 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348.491 3.362 10 30 EGEELO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2nc(CC)no2)C1 ZINC001266103803 1377188034 /nfs/dbraw/zinc/18/80/34/1377188034.db2.gz XYRHFQDIAIASSF-GJZGRUSLSA-N 1 2 348.491 3.218 10 30 EGEELO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2nc(CC)no2)C1 ZINC001266103803 1377188035 /nfs/dbraw/zinc/18/80/35/1377188035.db2.gz XYRHFQDIAIASSF-GJZGRUSLSA-N 1 2 348.491 3.218 10 30 EGEELO CC(C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F)=C1CCCC1 ZINC001266267610 1377253111 /nfs/dbraw/zinc/25/31/11/1377253111.db2.gz JQBAJCQNZRVJRP-UHFFFAOYSA-N 1 2 329.419 3.136 10 30 EGEELO CC(C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F)=C1CCCC1 ZINC001266267610 1377253113 /nfs/dbraw/zinc/25/31/13/1377253113.db2.gz JQBAJCQNZRVJRP-UHFFFAOYSA-N 1 2 329.419 3.136 10 30 EGEELO O=C(C#CC1CC1)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001266842511 1377390781 /nfs/dbraw/zinc/39/07/81/1377390781.db2.gz PAHSEJUBUUNNEF-KRWDZBQOSA-N 1 2 348.849 3.363 10 30 EGEELO O=C(C#CC1CC1)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F 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/nfs/dbraw/zinc/94/12/69/1378941269.db2.gz CFTQIMSSNJUBGR-BJLQDIEVSA-N 1 2 344.499 3.352 10 30 EGEELO C[C@H]1[C@@H](NC(=O)C#CC2CC2)CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC001284123499 1379497616 /nfs/dbraw/zinc/49/76/16/1379497616.db2.gz SRZYWYIABWYSIH-GUYCJALGSA-N 1 2 348.849 3.362 10 30 EGEELO C[C@H]1[C@@H](NC(=O)C#CC2CC2)CCC[N@H+]1Cc1cccc(Cl)c1F ZINC001284123499 1379497617 /nfs/dbraw/zinc/49/76/17/1379497617.db2.gz SRZYWYIABWYSIH-GUYCJALGSA-N 1 2 348.849 3.362 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2csc(C)n2)[C@H]1C ZINC001284132956 1379518022 /nfs/dbraw/zinc/51/80/22/1379518022.db2.gz YMEIZWHDFOAMJQ-YOEHRIQHSA-N 1 2 333.501 3.114 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2csc(C)n2)[C@H]1C ZINC001284132956 1379518027 /nfs/dbraw/zinc/51/80/27/1379518027.db2.gz YMEIZWHDFOAMJQ-YOEHRIQHSA-N 1 2 333.501 3.114 10 30 EGEELO Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)C(C)(C)C2)oc1C ZINC001328084059 1388666894 /nfs/dbraw/zinc/66/68/94/1388666894.db2.gz WXQWNXSNAMDLRA-INIZCTEOSA-N 1 2 345.487 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3.487 10 30 EGEELO C=CCOc1c(Cl)cc(CNC[C@@H]2CCCC[N@H+]2C)cc1OC ZINC001308543652 1384131877 /nfs/dbraw/zinc/13/18/77/1384131877.db2.gz NHRIEYJTDGSQQM-HNNXBMFYSA-N 1 2 338.879 3.487 10 30 EGEELO C=CC(C)(C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001316774551 1384573134 /nfs/dbraw/zinc/57/31/34/1384573134.db2.gz UTRVQFODQDXUAN-CQSZACIVSA-N 1 2 336.505 3.001 10 30 EGEELO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC001316974143 1384735226 /nfs/dbraw/zinc/73/52/26/1384735226.db2.gz NOVSSHCCDJBHMR-INIZCTEOSA-N 1 2 343.402 3.137 10 30 EGEELO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC001316974143 1384735227 /nfs/dbraw/zinc/73/52/27/1384735227.db2.gz NOVSSHCCDJBHMR-INIZCTEOSA-N 1 2 343.402 3.137 10 30 EGEELO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001316978190 1384737062 /nfs/dbraw/zinc/73/70/62/1384737062.db2.gz RNLYCSGZYDKLOU-CXAGYDPISA-N 1 2 346.421 3.192 10 30 EGEELO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001316978190 1384737063 /nfs/dbraw/zinc/73/70/63/1384737063.db2.gz RNLYCSGZYDKLOU-CXAGYDPISA-N 1 2 346.421 3.192 10 30 EGEELO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)C(C)(C)C ZINC001316983330 1384740389 /nfs/dbraw/zinc/74/03/89/1384740389.db2.gz WDUKTMLYJKETGP-CJNGLKHVSA-N 1 2 331.435 3.070 10 30 EGEELO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)C(C)(C)C ZINC001316983330 1384740390 /nfs/dbraw/zinc/74/03/90/1384740390.db2.gz WDUKTMLYJKETGP-CJNGLKHVSA-N 1 2 331.435 3.070 10 30 EGEELO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001317132836 1384893044 /nfs/dbraw/zinc/89/30/44/1384893044.db2.gz SXXICERBFTZBOI-ZDUSSCGKSA-N 1 2 341.908 3.481 10 30 EGEELO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001317132836 1384893048 /nfs/dbraw/zinc/89/30/48/1384893048.db2.gz SXXICERBFTZBOI-ZDUSSCGKSA-N 1 2 341.908 3.481 10 30 EGEELO CC(C)(C)C#CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001317171446 1384937750 /nfs/dbraw/zinc/93/77/50/1384937750.db2.gz 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ZINC001317753430 1385442100 /nfs/dbraw/zinc/44/21/00/1385442100.db2.gz FBARAFVCYWHUEU-HZPDHXFCSA-N 1 2 328.884 3.011 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CCCCO2)C1 ZINC001317753430 1385442101 /nfs/dbraw/zinc/44/21/01/1385442101.db2.gz FBARAFVCYWHUEU-HZPDHXFCSA-N 1 2 328.884 3.011 10 30 EGEELO CCCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001317759577 1385448308 /nfs/dbraw/zinc/44/83/08/1385448308.db2.gz RNCDWFPADJSQLB-QGZVFWFLSA-N 1 2 346.421 3.191 10 30 EGEELO CCCN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001317759577 1385448311 /nfs/dbraw/zinc/44/83/11/1385448311.db2.gz RNCDWFPADJSQLB-QGZVFWFLSA-N 1 2 346.421 3.191 10 30 EGEELO C=CC(C)(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H](C)c2csnn2)C1 ZINC001317788704 1385481451 /nfs/dbraw/zinc/48/14/51/1385481451.db2.gz KFNDHWNAGYAQAG-ZIAGYGMSSA-N 1 2 336.505 3.030 10 30 EGEELO C=CC(C)(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H](C)c2csnn2)C1 ZINC001317788704 1385481453 /nfs/dbraw/zinc/48/14/53/1385481453.db2.gz KFNDHWNAGYAQAG-ZIAGYGMSSA-N 1 2 336.505 3.030 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001317985206 1385600559 /nfs/dbraw/zinc/60/05/59/1385600559.db2.gz QXRJGACBLGATNB-HNNXBMFYSA-N 1 2 335.879 3.418 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001317985206 1385600563 /nfs/dbraw/zinc/60/05/63/1385600563.db2.gz QXRJGACBLGATNB-HNNXBMFYSA-N 1 2 335.879 3.418 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001318406795 1385676897 /nfs/dbraw/zinc/67/68/97/1385676897.db2.gz JVCSAGJUFNDLID-HNNXBMFYSA-N 1 2 331.460 3.187 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001318406795 1385676898 /nfs/dbraw/zinc/67/68/98/1385676898.db2.gz JVCSAGJUFNDLID-HNNXBMFYSA-N 1 2 331.460 3.187 10 30 EGEELO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@H+](CC(=C)Br)C1 ZINC001318429262 1385685248 /nfs/dbraw/zinc/68/52/48/1385685248.db2.gz QKWWWIRGASCKQN-DZGCQCFKSA-N 1 2 329.282 3.030 10 30 EGEELO 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333.501 3.034 10 30 EGEELO C#CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001490554798 1394256163 /nfs/dbraw/zinc/25/61/63/1394256163.db2.gz WUKSTPCDAZWFCM-INIZCTEOSA-N 1 2 333.501 3.034 10 30 EGEELO CCC1(C(=O)N[C@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC001481537984 1394398744 /nfs/dbraw/zinc/39/87/44/1394398744.db2.gz YBSIPAIPKABMNP-SFHVURJKSA-N 1 2 344.886 3.462 10 30 EGEELO CCC1(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CC1 ZINC001481537984 1394398749 /nfs/dbraw/zinc/39/87/49/1394398749.db2.gz YBSIPAIPKABMNP-SFHVURJKSA-N 1 2 344.886 3.462 10 30 EGEELO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001482192370 1394793677 /nfs/dbraw/zinc/79/36/77/1394793677.db2.gz LVWCIFQUGHKRRO-UFUQCMIWSA-N 1 2 342.483 3.119 10 30 EGEELO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001482192370 1394793682 /nfs/dbraw/zinc/79/36/82/1394793682.db2.gz LVWCIFQUGHKRRO-UFUQCMIWSA-N 1 2 342.483 3.119 10 30 EGEELO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(CC)c2)CCO1 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348.849 3.358 10 30 EGEELO C=CCC1(C(=O)N(CC)CC[NH2+][C@H](C)c2nnc(C)o2)CCCC1 ZINC001732813159 1428990727 /nfs/dbraw/zinc/99/07/27/1428990727.db2.gz WFWCDHIKFRNFGK-CQSZACIVSA-N 1 2 334.464 3.014 10 30 EGEELO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1coc2c1cccc2OC ZINC001733039961 1429167589 /nfs/dbraw/zinc/16/75/89/1429167589.db2.gz XLSAMFWASPGUBO-LBPRGKRZSA-N 1 2 336.819 3.244 10 30 EGEELO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1coc2c1cccc2OC ZINC001733039961 1429167591 /nfs/dbraw/zinc/16/75/91/1429167591.db2.gz XLSAMFWASPGUBO-LBPRGKRZSA-N 1 2 336.819 3.244 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2csc(CCC)n2)[C@@H]1C ZINC001707256376 1417268009 /nfs/dbraw/zinc/26/80/09/1417268009.db2.gz UXMYXTRYGPXXDA-HIFRSBDPSA-N 1 2 335.517 3.387 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2csc(CCC)n2)[C@@H]1C ZINC001707256376 1417268012 /nfs/dbraw/zinc/26/80/12/1417268012.db2.gz UXMYXTRYGPXXDA-HIFRSBDPSA-N 1 2 335.517 3.387 10 30 EGEELO C#CCCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)[C@@H](C)c1ncccn1 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334.410 3.266 10 30 EGEELO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001725259335 1425886911 /nfs/dbraw/zinc/88/69/11/1425886911.db2.gz KDKIVKAJORRUTL-VXGBXAGGSA-N 1 2 342.817 3.257 10 30 EGEELO CC#CCCCC(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001725260751 1425889257 /nfs/dbraw/zinc/88/92/57/1425889257.db2.gz SDYUTSROBNLTRR-AWEZNQCLSA-N 1 2 334.410 3.095 10 30 EGEELO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](CC)c3ccccc3)C2)C1 ZINC001725278673 1425912052 /nfs/dbraw/zinc/91/20/52/1425912052.db2.gz DOADVNJJBFAKEC-RXVVDRJESA-N 1 2 342.483 3.060 10 30 EGEELO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](CC)c3ccccc3)C2)C1 ZINC001725278673 1425912046 /nfs/dbraw/zinc/91/20/46/1425912046.db2.gz DOADVNJJBFAKEC-RXVVDRJESA-N 1 2 342.483 3.060 10 30 EGEELO CCCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001725310418 1425958588 /nfs/dbraw/zinc/95/85/88/1425958588.db2.gz WGEMFXGPQGJPBO-YIYPIFLZSA-N 1 2 338.389 3.151 10 30 EGEELO CCCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001725310418 1425958591 /nfs/dbraw/zinc/95/85/91/1425958591.db2.gz WGEMFXGPQGJPBO-YIYPIFLZSA-N 1 2 338.389 3.151 10 30 EGEELO CCCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@@H]2C1 ZINC001725310418 1425958601 /nfs/dbraw/zinc/95/86/01/1425958601.db2.gz WGEMFXGPQGJPBO-YIYPIFLZSA-N 1 2 338.389 3.151 10 30 EGEELO CCCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@@H]2C1 ZINC001725310418 1425958603 /nfs/dbraw/zinc/95/86/03/1425958603.db2.gz WGEMFXGPQGJPBO-YIYPIFLZSA-N 1 2 338.389 3.151 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001725825185 1426500910 /nfs/dbraw/zinc/50/09/10/1426500910.db2.gz CGOCYCZNCDTGHN-SFHVURJKSA-N 1 2 333.501 3.302 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NCC1=CC[N@@H+](Cc2csc(C)n2)CC1 ZINC001725825185 1426500914 /nfs/dbraw/zinc/50/09/14/1426500914.db2.gz CGOCYCZNCDTGHN-SFHVURJKSA-N 1 2 333.501 3.302 10 30 EGEELO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC001731561216 1427597766 /nfs/dbraw/zinc/59/77/66/1427597766.db2.gz XFELNKNSQKBUTP-GOEBONIOSA-N 1 2 346.475 3.020 10 30 EGEELO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC001731561216 1427597772 /nfs/dbraw/zinc/59/77/72/1427597772.db2.gz XFELNKNSQKBUTP-GOEBONIOSA-N 1 2 346.475 3.020 10 30 EGEELO C[N@H+](CCNC(=O)[C@@H]1CCC=CCCC1)Cc1cc(C#N)ccc1F ZINC001731776513 1427893704 /nfs/dbraw/zinc/89/37/04/1427893704.db2.gz ZVKHAHFSFFQQIP-QGZVFWFLSA-N 1 2 343.446 3.382 10 30 EGEELO C[N@@H+](CCNC(=O)[C@@H]1CCC=CCCC1)Cc1cc(C#N)ccc1F ZINC001731776513 1427893705 /nfs/dbraw/zinc/89/37/05/1427893705.db2.gz ZVKHAHFSFFQQIP-QGZVFWFLSA-N 1 2 343.446 3.382 10 30 EGEELO CC[N@H+](CCNC(=O)CC1CCCC1)Cc1cc(F)ccc1C#N ZINC001731797975 1427956036 /nfs/dbraw/zinc/95/60/36/1427956036.db2.gz JYVCYVFNMLIYKH-UHFFFAOYSA-N 1 2 331.435 3.216 10 30 EGEELO CC[N@@H+](CCNC(=O)CC1CCCC1)Cc1cc(F)ccc1C#N ZINC001731797975 1427956038 /nfs/dbraw/zinc/95/60/38/1427956038.db2.gz JYVCYVFNMLIYKH-UHFFFAOYSA-N 1 2 331.435 3.216 10 30 EGEELO C=C[C@@H](CC)CC(=O)N(C)CC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC001731944338 1428178552 /nfs/dbraw/zinc/17/85/52/1428178552.db2.gz IZRPTGBTVZWNJZ-KGLIPLIRSA-N 1 2 336.480 3.078 10 30 EGEELO CCCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001733698687 1429915924 /nfs/dbraw/zinc/91/59/24/1429915924.db2.gz BBFPGTIBDTYWLS-AWEZNQCLSA-N 1 2 341.883 3.069 10 30 EGEELO CCCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001733698687 1429915929 /nfs/dbraw/zinc/91/59/29/1429915929.db2.gz BBFPGTIBDTYWLS-AWEZNQCLSA-N 1 2 341.883 3.069 10 30 EGEELO C=CCCC(=O)NC[C@H]1CCC2(C[NH+](CCCCC(F)(F)F)C2)O1 ZINC001733789180 1430056756 /nfs/dbraw/zinc/05/67/56/1430056756.db2.gz VWJVDYZAQZOVMA-CQSZACIVSA-N 1 2 348.409 3.035 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2cscn2)CC1(C)C ZINC001733876957 1437703634 /nfs/dbraw/zinc/70/36/34/1437703634.db2.gz XDPSNEAHUWWKCV-INIZCTEOSA-N 1 2 333.501 3.053 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cscn2)CC1(C)C ZINC001733876957 1437703635 /nfs/dbraw/zinc/70/36/35/1437703635.db2.gz XDPSNEAHUWWKCV-INIZCTEOSA-N 1 2 333.501 3.053 10 30 EGEELO C#CCCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC001733930346 1437743587 /nfs/dbraw/zinc/74/35/87/1437743587.db2.gz XOOQVZYEPKNFIG-QGZVFWFLSA-N 1 2 343.471 3.168 10 30 EGEELO C#CCCCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC001733930346 1437743589 /nfs/dbraw/zinc/74/35/89/1437743589.db2.gz XOOQVZYEPKNFIG-QGZVFWFLSA-N 1 2 343.471 3.168 10 30 EGEELO C=CCCCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001733934411 1437748019 /nfs/dbraw/zinc/74/80/19/1437748019.db2.gz XNMHMVMDHGTJGB-IBGZPJMESA-N 1 2 343.446 3.476 10 30 EGEELO C=CCCCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001733934411 1437748020 /nfs/dbraw/zinc/74/80/20/1437748020.db2.gz XNMHMVMDHGTJGB-IBGZPJMESA-N 1 2 343.446 3.476 10 30 EGEELO C=CCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001733934412 1437748167 /nfs/dbraw/zinc/74/81/67/1437748167.db2.gz XNMHMVMDHGTJGB-LJQANCHMSA-N 1 2 343.446 3.476 10 30 EGEELO C=CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001733934412 1437748169 /nfs/dbraw/zinc/74/81/69/1437748169.db2.gz XNMHMVMDHGTJGB-LJQANCHMSA-N 1 2 343.446 3.476 10 30 EGEELO C=CCCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1Br ZINC001734031420 1437818842 /nfs/dbraw/zinc/81/88/42/1437818842.db2.gz QDDMNPGUVYTFPB-CYBMUJFWSA-N 1 2 339.277 3.352 10 30 EGEELO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1Br ZINC001734031420 1437818844 /nfs/dbraw/zinc/81/88/44/1437818844.db2.gz QDDMNPGUVYTFPB-CYBMUJFWSA-N 1 2 339.277 3.352 10 30 EGEELO CC1(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2cc(F)ccc2C#N)CC1 ZINC001734099710 1437884154 /nfs/dbraw/zinc/88/41/54/1437884154.db2.gz MVFFLSKQCLUBED-SFHVURJKSA-N 1 2 343.446 3.358 10 30 EGEELO CC1(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2cc(F)ccc2C#N)CC1 ZINC001734099710 1437884155 /nfs/dbraw/zinc/88/41/55/1437884155.db2.gz MVFFLSKQCLUBED-SFHVURJKSA-N 1 2 343.446 3.358 10 30 EGEELO C=C(C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2nc3ccc(F)cc3o2)C1 ZINC001734117285 1437899242 /nfs/dbraw/zinc/89/92/42/1437899242.db2.gz NTLXQTJZSUZXEV-ZDUSSCGKSA-N 1 2 345.418 3.260 10 30 EGEELO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCCOc2ccccc2)C1 ZINC001734127497 1437906019 /nfs/dbraw/zinc/90/60/19/1437906019.db2.gz GIIPWQFLQOGXBD-OAHLLOKOSA-N 1 2 336.863 3.035 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1C[N@@H+](Cc2csc(CC)n2)CC1(C)C ZINC001734151126 1437919318 /nfs/dbraw/zinc/91/93/18/1437919318.db2.gz YWJBYOTVZLOMRY-AWEZNQCLSA-N 1 2 335.517 3.244 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1C[N@H+](Cc2csc(CC)n2)CC1(C)C ZINC001734151126 1437919321 /nfs/dbraw/zinc/91/93/21/1437919321.db2.gz YWJBYOTVZLOMRY-AWEZNQCLSA-N 1 2 335.517 3.244 10 30 EGEELO C=CCCCC(=O)N[C@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)[C@H]1C ZINC001734462642 1438119279 /nfs/dbraw/zinc/11/92/79/1438119279.db2.gz TWLRKTYIVTZXFJ-HOTGVXAUSA-N 1 2 345.487 3.379 10 30 EGEELO C=CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)[C@H]1C ZINC001734462642 1438119280 /nfs/dbraw/zinc/11/92/80/1438119280.db2.gz TWLRKTYIVTZXFJ-HOTGVXAUSA-N 1 2 345.487 3.379 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2csc(CC)n2)[C@H]1C ZINC001734463475 1438120123 /nfs/dbraw/zinc/12/01/23/1438120123.db2.gz WKUCYKHNVWWCBH-ZFWWWQNUSA-N 1 2 335.517 3.387 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2csc(CC)n2)[C@H]1C ZINC001734463475 1438120124 /nfs/dbraw/zinc/12/01/24/1438120124.db2.gz WKUCYKHNVWWCBH-ZFWWWQNUSA-N 1 2 335.517 3.387 10 30 EGEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)Cc1c(C)noc1Cl)C(C)C ZINC001734554620 1438153458 /nfs/dbraw/zinc/15/34/58/1438153458.db2.gz WLTPLHZDPGECCS-UHFFFAOYSA-N 1 2 348.274 3.100 10 30 EGEELO C=C(Cl)C[N@H+](C)CCN(C(=O)Cc1c(C)noc1Cl)C(C)C ZINC001734554620 1438153459 /nfs/dbraw/zinc/15/34/59/1438153459.db2.gz WLTPLHZDPGECCS-UHFFFAOYSA-N 1 2 348.274 3.100 10 30 EGEELO C=CCN(C)c1nnc(-c2ccccc2C)n1Cc1c[nH+]ccc1OC ZINC001740895229 1439500242 /nfs/dbraw/zinc/50/02/42/1439500242.db2.gz DNYUSPJVIKWKRZ-UHFFFAOYSA-N 1 2 349.438 3.328 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001772539903 1441416637 /nfs/dbraw/zinc/41/66/37/1441416637.db2.gz GSHLURVUKDTVBM-CHWSQXEVSA-N 1 2 334.464 3.047 10 30 EGEELO Cc1nn(CCC[C@](C)(C#N)[NH2+]C(C)C)c(C)c1Br ZINC000050594802 214060954 /nfs/dbraw/zinc/06/09/54/214060954.db2.gz FKZAGTVRNXVLLD-CQSZACIVSA-N 1 2 327.270 3.323 10 30 EGEELO N#Cc1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000356137207 283142227 /nfs/dbraw/zinc/14/22/27/283142227.db2.gz PBATYVYRLGFUEF-GFCCVEGCSA-N 1 2 338.251 3.076 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000356137207 283142230 /nfs/dbraw/zinc/14/22/30/283142230.db2.gz PBATYVYRLGFUEF-GFCCVEGCSA-N 1 2 338.251 3.076 10 30 EGEELO C[C@@H](C(=O)Nc1sccc1C#N)[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000009516670 211096760 /nfs/dbraw/zinc/09/67/60/211096760.db2.gz PFOWLUFRBCYCPB-SWLSCSKDSA-N 1 2 328.441 3.122 10 30 EGEELO C[C@@H](C(=O)Nc1sccc1C#N)[N@H+]1CCC[C@@H]1c1cccn1C ZINC000009516670 211096765 /nfs/dbraw/zinc/09/67/65/211096765.db2.gz PFOWLUFRBCYCPB-SWLSCSKDSA-N 1 2 328.441 3.122 10 30 EGEELO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(-n2cccn2)c(F)c1 ZINC000339463591 141116451 /nfs/dbraw/zinc/11/64/51/141116451.db2.gz DICVTQZUULOPRH-NSHDSACASA-N 1 2 327.388 3.190 10 30 EGEELO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2Cc3ccccc3C3(CC3)C2)C1=O ZINC000186242637 144128307 /nfs/dbraw/zinc/12/83/07/144128307.db2.gz UFJPOGMLZLAKRT-QGZVFWFLSA-N 1 2 349.459 3.272 10 30 EGEELO N#Cc1ccsc1N1CC[C@@H]([N@H+]2Cc3ccccc3C3(CC3)C2)C1=O ZINC000186242637 144128309 /nfs/dbraw/zinc/12/83/09/144128309.db2.gz UFJPOGMLZLAKRT-QGZVFWFLSA-N 1 2 349.459 3.272 10 30 EGEELO Cc1ccccc1[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000093478392 162012171 /nfs/dbraw/zinc/01/21/71/162012171.db2.gz SVKDIJJAGJYBOE-IBGZPJMESA-N 1 2 332.407 3.088 10 30 EGEELO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CCO1 ZINC000093478392 162012172 /nfs/dbraw/zinc/01/21/72/162012172.db2.gz SVKDIJJAGJYBOE-IBGZPJMESA-N 1 2 332.407 3.088 10 30 EGEELO Cc1ccccc1[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000093478392 162012173 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N#Cc1ccc2ncc(C[NH2+]Cc3c(F)cc(F)c(F)c3F)n2c1 ZINC000430035674 270050445 /nfs/dbraw/zinc/05/04/45/270050445.db2.gz CLMLLWQRUPRMAN-UHFFFAOYSA-N 1 2 334.276 3.052 10 30 EGEELO CCn1cc[nH+]c1CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000455308353 267256689 /nfs/dbraw/zinc/25/66/89/267256689.db2.gz HELJOFBXNQLKKB-UHFFFAOYSA-N 1 2 339.443 3.142 10 30 EGEELO N#Cc1ccc([N+](=O)[O-])c(NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000302189100 268218214 /nfs/dbraw/zinc/21/82/14/268218214.db2.gz AKVMIPMKHBBZHT-UHFFFAOYSA-N 1 2 333.351 3.323 10 30 EGEELO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)o1 ZINC000154216718 307789973 /nfs/dbraw/zinc/78/99/73/307789973.db2.gz MLXPZUVMSPASEF-UHFFFAOYSA-N 1 2 333.794 3.262 10 30 EGEELO N#Cc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000539368477 314308964 /nfs/dbraw/zinc/30/89/64/314308964.db2.gz AFSMQQACWRIFAV-UHFFFAOYSA-N 1 2 340.814 3.005 10 30 EGEELO CCc1[nH+]c2cc(CNC(=O)c3ccnc(C#N)c3)ccc2n1C1CC1 ZINC000549317195 315087257 /nfs/dbraw/zinc/08/72/57/315087257.db2.gz VLXAXMWFQGEWDM-UHFFFAOYSA-N 1 2 345.406 3.130 10 30 EGEELO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)nc1 ZINC000565166530 316279600 /nfs/dbraw/zinc/27/96/00/316279600.db2.gz UKUPLJXDGAWMSO-UHFFFAOYSA-N 1 2 344.821 3.064 10 30 EGEELO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nccs1 ZINC000185088711 323687530 /nfs/dbraw/zinc/68/75/30/323687530.db2.gz PIFRWGZYNFFJBH-GFCCVEGCSA-N 1 2 334.832 3.348 10 30 EGEELO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000428873310 458226614 /nfs/dbraw/zinc/22/66/14/458226614.db2.gz TYIAYVLKDFXVGD-HNNXBMFYSA-N 1 2 340.876 3.001 10 30 EGEELO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000428873310 458226619 /nfs/dbraw/zinc/22/66/19/458226619.db2.gz TYIAYVLKDFXVGD-HNNXBMFYSA-N 1 2 340.876 3.001 10 30 EGEELO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H](c2ccccc2)O1 ZINC000245573942 455334409 /nfs/dbraw/zinc/33/44/09/455334409.db2.gz ZAOCTOGQSIHTGF-BEFAXECRSA-N 1 2 332.407 3.168 10 30 EGEELO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H](c2ccccc2)O1 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C=C(C)C[C@H](C)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000185325891 455540664 /nfs/dbraw/zinc/54/06/64/455540664.db2.gz BLRXHISNTYABAQ-HKUYNNGSSA-N 1 2 330.472 3.087 10 30 EGEELO N#CCCN(CC1CC1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000267440944 455550537 /nfs/dbraw/zinc/55/05/37/455550537.db2.gz WZNDEBOWNPCLHK-UHFFFAOYSA-N 1 2 347.488 3.287 10 30 EGEELO COc1cccc([C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CCO2)c1 ZINC000268894856 455721431 /nfs/dbraw/zinc/72/14/31/455721431.db2.gz NJBVAEKQDAOGJZ-HXUWFJFHSA-N 1 2 338.407 3.171 10 30 EGEELO COc1cccc([C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CCO2)c1 ZINC000268894856 455721436 /nfs/dbraw/zinc/72/14/36/455721436.db2.gz NJBVAEKQDAOGJZ-HXUWFJFHSA-N 1 2 338.407 3.171 10 30 EGEELO CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)n1 ZINC000268981614 455753163 /nfs/dbraw/zinc/75/31/63/455753163.db2.gz PGFGTDKXJFVTCX-ZDUSSCGKSA-N 1 2 328.416 3.210 10 30 EGEELO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)n1 ZINC000268981614 455753167 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C=CCCn1cc(C[N@@H+]2CCN(c3cccc(Cl)c3)C[C@H]2C)nn1 ZINC000653703416 461814882 /nfs/dbraw/zinc/81/48/82/461814882.db2.gz GWFYBVCKYRNEJG-OAHLLOKOSA-N 1 2 345.878 3.218 10 30 EGEELO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000656681237 461838565 /nfs/dbraw/zinc/83/85/65/461838565.db2.gz CDNVYWHNJKTNNR-CHWSQXEVSA-N 1 2 335.498 3.459 10 30 EGEELO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000662087728 462522409 /nfs/dbraw/zinc/52/24/09/462522409.db2.gz JBEWCGKZCHQVEH-QLFBSQMISA-N 1 2 335.245 3.159 10 30 EGEELO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000662087728 462522410 /nfs/dbraw/zinc/52/24/10/462522410.db2.gz JBEWCGKZCHQVEH-QLFBSQMISA-N 1 2 335.245 3.159 10 30 EGEELO Cc1sc2ncnc(N=NCc3c[nH+]c4ccc(C#N)cn34)c2c1C ZINC000736427116 575959205 /nfs/dbraw/zinc/95/92/05/575959205.db2.gz KRYAUEMSLAPSOQ-UHFFFAOYSA-N 1 2 347.407 3.274 10 30 EGEELO C=CCn1c(COc2ccccc2)nn(C[N@H+](C)CC2CC2)c1=S ZINC000153572089 1294020034 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C#C[C@@H]([NH2+]Cc1cnc(CC)nc1)c1ccc(Br)cc1 ZINC000894870765 1309108246 /nfs/dbraw/zinc/10/82/46/1309108246.db2.gz OTSMCSGHXGJERB-OAHLLOKOSA-N 1 2 330.229 3.266 10 30 EGEELO C=CCCCN(CC)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000896121775 1309708650 /nfs/dbraw/zinc/70/86/50/1309708650.db2.gz KRKHIBIYYDQHKB-UHFFFAOYSA-N 1 2 348.516 3.133 10 30 EGEELO COc1cc(C[N@H+](C)Cc2cncc(C#N)c2)c(SC)cc1OC ZINC000929704353 1328673658 /nfs/dbraw/zinc/67/36/58/1328673658.db2.gz XSIFTOBNRKUBES-UHFFFAOYSA-N 1 2 343.452 3.324 10 30 EGEELO COc1cc(C[N@@H+](C)Cc2cncc(C#N)c2)c(SC)cc1OC ZINC000929704353 1328673661 /nfs/dbraw/zinc/67/36/61/1328673661.db2.gz XSIFTOBNRKUBES-UHFFFAOYSA-N 1 2 343.452 3.324 10 30 EGEELO N#Cc1cccc([C@@H]2C[N@H+](C[C@H]3CCCC4(CCC4)O3)CCO2)c1 ZINC000930134342 1328794243 /nfs/dbraw/zinc/79/42/43/1328794243.db2.gz GQWNJWIDZRVDEZ-MOPGFXCFSA-N 1 2 326.440 3.423 10 30 EGEELO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H]3CCCC4(CCC4)O3)CCO2)c1 ZINC000930134342 1328794246 /nfs/dbraw/zinc/79/42/46/1328794246.db2.gz GQWNJWIDZRVDEZ-MOPGFXCFSA-N 1 2 326.440 3.423 10 30 EGEELO C#CCN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(C)C ZINC000921597659 1322360882 /nfs/dbraw/zinc/36/08/82/1322360882.db2.gz WYMPEGRRKUREGX-IBGZPJMESA-N 1 2 338.455 3.294 10 30 EGEELO N#Cc1cncc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000922482107 1322538217 /nfs/dbraw/zinc/53/82/17/1322538217.db2.gz YCSJDXUDMVQNHR-LJQANCHMSA-N 1 2 335.407 3.051 10 30 EGEELO N#Cc1cncc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000922482107 1322538221 /nfs/dbraw/zinc/53/82/21/1322538221.db2.gz YCSJDXUDMVQNHR-LJQANCHMSA-N 1 2 335.407 3.051 10 30 EGEELO C=CCOc1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1OC ZINC000922581373 1322563211 /nfs/dbraw/zinc/56/32/11/1322563211.db2.gz IQJQJECUYNSTNB-GOSISDBHSA-N 1 2 325.412 3.291 10 30 EGEELO CC[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(C#N)c1O ZINC000924705768 1323124392 /nfs/dbraw/zinc/12/43/92/1323124392.db2.gz MJQZFDRWDJSDJD-WFASDCNBSA-N 1 2 341.377 3.189 10 30 EGEELO CC[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc(C#N)c1O ZINC000924705763 1323124444 /nfs/dbraw/zinc/12/44/44/1323124444.db2.gz MJQZFDRWDJSDJD-IUODEOHRSA-N 1 2 341.377 3.189 10 30 EGEELO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1cccc(C#N)c1O ZINC000924777466 1323157733 /nfs/dbraw/zinc/15/77/33/1323157733.db2.gz JFVCXXMRNADWHI-VQIMIIECSA-N 1 2 340.423 3.053 10 30 EGEELO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)Cc2c[nH]nc21 ZINC000931460962 1329124014 /nfs/dbraw/zinc/12/40/14/1329124014.db2.gz PDHWTILRJXMILG-GFCCVEGCSA-N 1 2 335.329 3.279 10 30 EGEELO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)Cc2c[nH]nc21 ZINC000931460962 1329124016 /nfs/dbraw/zinc/12/40/16/1329124016.db2.gz PDHWTILRJXMILG-GFCCVEGCSA-N 1 2 335.329 3.279 10 30 EGEELO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2nn(CC)nc2C)c1 ZINC000925416945 1325146262 /nfs/dbraw/zinc/14/62/62/1325146262.db2.gz YKEPAMIZVYTAFA-CZUORRHYSA-N 1 2 327.432 3.138 10 30 EGEELO CC[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cccc(C#N)c1O ZINC000925500736 1325179513 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EGEELO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(CCCCC#N)n2)C1 ZINC000867182099 1330182584 /nfs/dbraw/zinc/18/25/84/1330182584.db2.gz RSYYPCJGFARVLU-KRWDZBQOSA-N 1 2 340.427 3.188 10 30 EGEELO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(CCCCC#N)n2)C1 ZINC000867182099 1330182585 /nfs/dbraw/zinc/18/25/85/1330182585.db2.gz RSYYPCJGFARVLU-KRWDZBQOSA-N 1 2 340.427 3.188 10 30 EGEELO C#CC[N@@H+](Cc1cc(Cl)cc(Br)c1O)C1CSC1 ZINC001183419268 1387307441 /nfs/dbraw/zinc/30/74/41/1387307441.db2.gz LHINNBGMJCPKEJ-UHFFFAOYSA-N 1 2 346.677 3.359 10 30 EGEELO C#CC[N@H+](Cc1cc(Cl)cc(Br)c1O)C1CSC1 ZINC001183419268 1387307443 /nfs/dbraw/zinc/30/74/43/1387307443.db2.gz LHINNBGMJCPKEJ-UHFFFAOYSA-N 1 2 346.677 3.359 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C[C@@H]2C=CCCC2)cc1F ZINC001323264941 1387319773 /nfs/dbraw/zinc/31/97/73/1387319773.db2.gz YWVRUNJKFVIVIJ-CRAIPNDOSA-N 1 2 341.430 3.134 10 30 EGEELO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C[C@@H]2C=CCCC2)cc1F ZINC001323264941 1387319775 /nfs/dbraw/zinc/31/97/75/1387319775.db2.gz YWVRUNJKFVIVIJ-CRAIPNDOSA-N 1 2 341.430 3.134 10 30 EGEELO C=CCC1(C(=O)NCC2([NH2+]Cc3ncc(C4CC4)o3)CC2)CCCC1 ZINC001323624721 1387410305 /nfs/dbraw/zinc/41/03/05/1387410305.db2.gz PQWTVPQYBNJFBI-UHFFFAOYSA-N 1 2 343.471 3.427 10 30 EGEELO C#CCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1oc(C)nc1C ZINC001323774375 1387447935 /nfs/dbraw/zinc/44/79/35/1387447935.db2.gz AQOLGCWEXGRZNF-HDICACEKSA-N 1 2 343.471 3.050 10 30 EGEELO C#CCCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1oc(C)nc1C ZINC001323774375 1387447937 /nfs/dbraw/zinc/44/79/37/1387447937.db2.gz AQOLGCWEXGRZNF-HDICACEKSA-N 1 2 343.471 3.050 10 30 EGEELO C=CCCCCC[NH+]1CC(N(C)C(=O)c2scnc2Cl)C1 ZINC001324017512 1387510307 /nfs/dbraw/zinc/51/03/07/1387510307.db2.gz MDOKYOGWGFHPOO-UHFFFAOYSA-N 1 2 327.881 3.299 10 30 EGEELO N#Cc1cc(NCCc2cn3ccccc3[nH+]2)ncc1Br ZINC001184720663 1387520436 /nfs/dbraw/zinc/52/04/36/1387520436.db2.gz VBLZBIKXBGWFFG-UHFFFAOYSA-N 1 2 342.200 3.018 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC001324619137 1387701604 /nfs/dbraw/zinc/70/16/04/1387701604.db2.gz HXKDAVMGYKRMFV-IFXJQAMLSA-N 1 2 348.491 3.437 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC001324619137 1387701608 /nfs/dbraw/zinc/70/16/08/1387701608.db2.gz HXKDAVMGYKRMFV-IFXJQAMLSA-N 1 2 348.491 3.437 10 30 EGEELO C[C@@]1(CNC(=O)CC2CC2)CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001324904064 1387813572 /nfs/dbraw/zinc/81/35/72/1387813572.db2.gz DTJAPYYFGXNARW-FQEVSTJZSA-N 1 2 343.446 3.216 10 30 EGEELO C[C@@]1(CNC(=O)CC2CC2)CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001324904064 1387813578 /nfs/dbraw/zinc/81/35/78/1387813578.db2.gz DTJAPYYFGXNARW-FQEVSTJZSA-N 1 2 343.446 3.216 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@H+](CC(=C)Br)C1 ZINC001324947459 1387844414 /nfs/dbraw/zinc/84/44/14/1387844414.db2.gz JKFOHWKKXDBPFC-INIZCTEOSA-N 1 2 343.309 3.326 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@@H+](CC(=C)Br)C1 ZINC001324947459 1387844415 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C[C@H](c1ccccc1Cl)[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000074210160 454544017 /nfs/dbraw/zinc/54/40/17/454544017.db2.gz DEXZGXWYPUIXNY-CVEARBPZSA-N 1 2 330.863 3.462 10 30 EGEELO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000107064066 454739636 /nfs/dbraw/zinc/73/96/36/454739636.db2.gz QIQNWNILHMVHLR-SJKOYZFVSA-N 1 2 339.842 3.354 10 30 EGEELO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000107064066 454739640 /nfs/dbraw/zinc/73/96/40/454739640.db2.gz QIQNWNILHMVHLR-SJKOYZFVSA-N 1 2 339.842 3.354 10 30 EGEELO CC(C)(C)C[N@H+](CCC#N)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000111250185 454859566 /nfs/dbraw/zinc/85/95/66/454859566.db2.gz GGVJDNYVSRYLRD-CYBMUJFWSA-N 1 2 333.398 3.049 10 30 EGEELO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000111250185 454859569 /nfs/dbraw/zinc/85/95/69/454859569.db2.gz GGVJDNYVSRYLRD-CYBMUJFWSA-N 1 2 333.398 3.049 10 30 EGEELO C[N@@H+]1CC[C@H](NC(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127078390 454936783 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3.097 10 30 EGEELO C=C(C)CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181621412 455364008 /nfs/dbraw/zinc/36/40/08/455364008.db2.gz WKWALVATTBRAIE-JKSUJKDBSA-N 1 2 339.842 3.442 10 30 EGEELO C=C(C)CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181621412 455364010 /nfs/dbraw/zinc/36/40/10/455364010.db2.gz WKWALVATTBRAIE-JKSUJKDBSA-N 1 2 339.842 3.442 10 30 EGEELO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CC#Cc1ccccc1 ZINC000191850250 455525840 /nfs/dbraw/zinc/52/58/40/455525840.db2.gz GKGNFRVEWKCEBY-MRXNPFEDSA-N 1 2 327.449 3.135 10 30 EGEELO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000191850250 455525845 /nfs/dbraw/zinc/52/58/45/455525845.db2.gz GKGNFRVEWKCEBY-MRXNPFEDSA-N 1 2 327.449 3.135 10 30 EGEELO CC1(C)CN(CC#Cc2ccccc2)CC[N@@H+]1CC#Cc1ccccc1 ZINC000192111675 455558270 /nfs/dbraw/zinc/55/82/70/455558270.db2.gz AVWVWZPHTMCCJO-UHFFFAOYSA-N 1 2 342.486 3.486 10 30 EGEELO CC1(C)CN(CC#Cc2ccccc2)CC[N@H+]1CC#Cc1ccccc1 ZINC000192111675 455558273 /nfs/dbraw/zinc/55/82/73/455558273.db2.gz AVWVWZPHTMCCJO-UHFFFAOYSA-N 1 2 342.486 3.486 10 30 EGEELO C=CC[C@@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000623728820 460694163 /nfs/dbraw/zinc/69/41/63/460694163.db2.gz BEPLJXHTMVUMPM-CZUORRHYSA-N 1 2 337.414 3.175 10 30 EGEELO C=CCC(F)(F)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000294412236 455814631 /nfs/dbraw/zinc/81/46/31/455814631.db2.gz DZWAJURGUAHMLI-UONOGXRCSA-N 1 2 330.325 3.038 10 30 EGEELO C=CCC(F)(F)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000294412236 455814638 /nfs/dbraw/zinc/81/46/38/455814638.db2.gz DZWAJURGUAHMLI-UONOGXRCSA-N 1 2 330.325 3.038 10 30 EGEELO CCCC[C@H](ON=C(C)C)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000272580878 456001803 /nfs/dbraw/zinc/00/18/03/456001803.db2.gz FMIYUIZVLYXTSE-INIZCTEOSA-N 1 2 330.432 3.230 10 30 EGEELO Cc1c[nH+]ccc1CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301823441 456224527 /nfs/dbraw/zinc/22/45/27/456224527.db2.gz HSRRMRGIAFRVQE-UHFFFAOYSA-N 1 2 333.351 3.373 10 30 EGEELO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(Br)c1O ZINC000273736286 456243049 /nfs/dbraw/zinc/24/30/49/456243049.db2.gz LFJPZAVHNWJBRD-UHFFFAOYSA-N 1 2 339.233 3.289 10 30 EGEELO Cc1ccc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc1C#N ZINC000302718422 456383923 /nfs/dbraw/zinc/38/39/23/456383923.db2.gz NZEFEWAAQHJNGZ-UHFFFAOYSA-N 1 2 344.821 3.376 10 30 EGEELO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348251530 456571919 /nfs/dbraw/zinc/57/19/19/456571919.db2.gz WEGVZFHFTPBVGL-DMDPSCGWSA-N 1 2 325.334 3.158 10 30 EGEELO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348251530 456571922 /nfs/dbraw/zinc/57/19/22/456571922.db2.gz WEGVZFHFTPBVGL-DMDPSCGWSA-N 1 2 325.334 3.158 10 30 EGEELO CCCc1[nH+]c2ccccc2n1CCC(=O)N(C)CC(C)(C)C#N ZINC000353272823 456602201 /nfs/dbraw/zinc/60/22/01/456602201.db2.gz LMIPBXLKMJYGHF-UHFFFAOYSA-N 1 2 326.444 3.387 10 30 EGEELO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000328750017 456751840 /nfs/dbraw/zinc/75/18/40/456751840.db2.gz BTERIDMDLWCXAB-UKRRQHHQSA-N 1 2 336.798 3.261 10 30 EGEELO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000328750017 456751846 /nfs/dbraw/zinc/75/18/46/456751846.db2.gz BTERIDMDLWCXAB-UKRRQHHQSA-N 1 2 336.798 3.261 10 30 EGEELO Cn1cc(C[N@H+](C)Cc2cccc(C#N)c2F)c(C(F)(F)F)n1 ZINC000340910592 456756370 /nfs/dbraw/zinc/75/63/70/456756370.db2.gz HKIJIJBBFBOGHH-UHFFFAOYSA-N 1 2 326.297 3.082 10 30 EGEELO Cn1cc(C[N@@H+](C)Cc2cccc(C#N)c2F)c(C(F)(F)F)n1 ZINC000340910592 456756378 /nfs/dbraw/zinc/75/63/78/456756378.db2.gz HKIJIJBBFBOGHH-UHFFFAOYSA-N 1 2 326.297 3.082 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1csc([C@@H]3CCCO3)n1)CCC2 ZINC000328783040 456759851 /nfs/dbraw/zinc/75/98/51/456759851.db2.gz GHPYHHXFSKACEF-JSGCOSHPSA-N 1 2 346.456 3.382 10 30 EGEELO COc1ccc(Cn2nc(C)c(C[N@H+](C)C[C@H](C)C#N)c2C)cc1 ZINC000344510107 456833844 /nfs/dbraw/zinc/83/38/44/456833844.db2.gz HAAWVUZDTWSUPN-CQSZACIVSA-N 1 2 326.444 3.148 10 30 EGEELO COc1ccc(Cn2nc(C)c(C[N@@H+](C)C[C@H](C)C#N)c2C)cc1 ZINC000344510107 456833848 /nfs/dbraw/zinc/83/38/48/456833848.db2.gz HAAWVUZDTWSUPN-CQSZACIVSA-N 1 2 326.444 3.148 10 30 EGEELO N#CC1(NC(=O)C[N@@H+]2CCO[C@H](C3CCCCC3)C2)CCCCC1 ZINC000329472490 456895686 /nfs/dbraw/zinc/89/56/86/456895686.db2.gz ZLAYVNAFNSWWPZ-KRWDZBQOSA-N 1 2 333.476 3.450 10 30 EGEELO N#CC1(NC(=O)C[N@H+]2CCO[C@H](C3CCCCC3)C2)CCCCC1 ZINC000329472490 456895692 /nfs/dbraw/zinc/89/56/92/456895692.db2.gz ZLAYVNAFNSWWPZ-KRWDZBQOSA-N 1 2 333.476 3.450 10 30 EGEELO CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357119147 457333516 /nfs/dbraw/zinc/33/35/16/457333516.db2.gz RADRENJLWJFSFZ-UHFFFAOYSA-N 1 2 345.406 3.191 10 30 EGEELO N#Cc1ccc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cn1 ZINC000360958284 457465283 /nfs/dbraw/zinc/46/52/83/457465283.db2.gz CLLPBHCVNTXGKL-UHFFFAOYSA-N 1 2 331.379 3.282 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1CCC(C#N)CC1)C2 ZINC000374208331 457522612 /nfs/dbraw/zinc/52/26/12/457522612.db2.gz CZXGGDRTBXJLPC-NRXISQOPSA-N 1 2 328.460 3.084 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1CCC(C#N)CC1)CC2 ZINC000374208331 457522618 /nfs/dbraw/zinc/52/26/18/457522618.db2.gz CZXGGDRTBXJLPC-NRXISQOPSA-N 1 2 328.460 3.084 10 30 EGEELO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000361410487 457722143 /nfs/dbraw/zinc/72/21/43/457722143.db2.gz OIVHEGFHOPRAQG-KRWDZBQOSA-N 1 2 336.439 3.157 10 30 EGEELO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000361410487 457722145 /nfs/dbraw/zinc/72/21/45/457722145.db2.gz OIVHEGFHOPRAQG-KRWDZBQOSA-N 1 2 336.439 3.157 10 30 EGEELO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000357942018 457733966 /nfs/dbraw/zinc/73/39/66/457733966.db2.gz JMFYRBIJSYBHJQ-QGZVFWFLSA-N 1 2 339.483 3.439 10 30 EGEELO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000357942018 457733971 /nfs/dbraw/zinc/73/39/71/457733971.db2.gz JMFYRBIJSYBHJQ-QGZVFWFLSA-N 1 2 339.483 3.439 10 30 EGEELO Cc1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)ncc1C#N ZINC000457696845 457797484 /nfs/dbraw/zinc/79/74/84/457797484.db2.gz XCCZFQIAJSOXLO-UHFFFAOYSA-N 1 2 331.379 3.278 10 30 EGEELO Cc1ccc(CNc2ccn(-c3ccc(C#N)cc3Cl)n2)c(C)[nH+]1 ZINC000358202487 457857384 /nfs/dbraw/zinc/85/73/84/457857384.db2.gz BHQWFYPBCGBFOH-UHFFFAOYSA-N 1 2 337.814 3.443 10 30 EGEELO C=CC[C@@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000427076192 457941495 /nfs/dbraw/zinc/94/14/95/457941495.db2.gz BWTLTUQGWIWQND-CQSZACIVSA-N 1 2 337.345 3.422 10 30 EGEELO C=C[C@@H](C)NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000362378139 458134807 /nfs/dbraw/zinc/13/48/07/458134807.db2.gz BVRAFALECFYDCW-IUODEOHRSA-N 1 2 339.842 3.490 10 30 EGEELO Cc1oc(C#N)cc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000436151685 458259867 /nfs/dbraw/zinc/25/98/67/458259867.db2.gz HLXMPKNTHPPHQU-IBGZPJMESA-N 1 2 348.406 3.444 10 30 EGEELO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1Cc1ccc(C#N)c(F)c1 ZINC000429386203 458326289 /nfs/dbraw/zinc/32/62/89/458326289.db2.gz WRIYZFZZHYIGAI-ZIAGYGMSSA-N 1 2 331.435 3.165 10 30 EGEELO C=CCC[C@@H]([NH2+]Cc1ccccc1-c1ccnn1C)C(=O)OCC ZINC000449659549 458428491 /nfs/dbraw/zinc/42/84/91/458428491.db2.gz VZGRGJKKONWENP-QGZVFWFLSA-N 1 2 327.428 3.075 10 30 EGEELO C=CC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000454757385 458573928 /nfs/dbraw/zinc/57/39/28/458573928.db2.gz WLJIWUDIGJSXNF-HZPDHXFCSA-N 1 2 337.414 3.221 10 30 EGEELO C=CC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000454757385 458573932 /nfs/dbraw/zinc/57/39/32/458573932.db2.gz WLJIWUDIGJSXNF-HZPDHXFCSA-N 1 2 337.414 3.221 10 30 EGEELO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C#N)o3)n2)C1 ZINC000432417648 458735490 /nfs/dbraw/zinc/73/54/90/458735490.db2.gz WVUVDZSNWYWOOR-LLVKDONJSA-N 1 2 330.413 3.092 10 30 EGEELO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C#N)o3)n2)C1 ZINC000432417648 458735494 /nfs/dbraw/zinc/73/54/94/458735494.db2.gz WVUVDZSNWYWOOR-LLVKDONJSA-N 1 2 330.413 3.092 10 30 EGEELO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ncc(Br)cn1 ZINC000432981627 458822025 /nfs/dbraw/zinc/82/20/25/458822025.db2.gz DKHGDXZCZISEMT-VIFPVBQESA-N 1 2 335.180 3.101 10 30 EGEELO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nnc2n1CCCCC2 ZINC000595434029 459301035 /nfs/dbraw/zinc/30/10/35/459301035.db2.gz RWKIMLDYQVBLNA-GFCCVEGCSA-N 1 2 329.835 3.380 10 30 EGEELO CSc1cccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000595493183 459324067 /nfs/dbraw/zinc/32/40/67/459324067.db2.gz DNMZQXANYPNWDY-UHFFFAOYSA-N 1 2 344.509 3.367 10 30 EGEELO CC(C)Oc1cc[nH+]c(CN2CCN(c3ccsc3C#N)CC2)c1 ZINC000595637703 459379457 /nfs/dbraw/zinc/37/94/57/459379457.db2.gz KUDCZKQFKSQKQS-UHFFFAOYSA-N 1 2 342.468 3.124 10 30 EGEELO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674731 459392115 /nfs/dbraw/zinc/39/21/15/459392115.db2.gz KRYUQZZENLDMJB-MAUKXSAKSA-N 1 2 329.444 3.205 10 30 EGEELO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595674731 459392116 /nfs/dbraw/zinc/39/21/16/459392116.db2.gz 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EGEELO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccn(C(C)C)n2)CCC1 ZINC001481056555 1393108504 /nfs/dbraw/zinc/10/85/04/1393108504.db2.gz KSEBORNYEZVLLJ-GOSISDBHSA-N 1 2 344.503 3.291 10 30 EGEELO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccn(C(C)C)n2)CCC1 ZINC001481056555 1393108505 /nfs/dbraw/zinc/10/85/05/1393108505.db2.gz KSEBORNYEZVLLJ-GOSISDBHSA-N 1 2 344.503 3.291 10 30 EGEELO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(F)c1 ZINC001481380748 1394220262 /nfs/dbraw/zinc/22/02/62/1394220262.db2.gz PVGMDHPDPMNTBN-HDICACEKSA-N 1 2 334.410 3.496 10 30 EGEELO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001481380748 1394220266 /nfs/dbraw/zinc/22/02/66/1394220266.db2.gz PVGMDHPDPMNTBN-HDICACEKSA-N 1 2 334.410 3.496 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001490544490 1394248413 /nfs/dbraw/zinc/24/84/13/1394248413.db2.gz XWUAGXVVPGVBBH-INIZCTEOSA-N 1 2 333.863 3.194 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001490544490 1394248416 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C=CCCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001505408173 1396292427 /nfs/dbraw/zinc/29/24/27/1396292427.db2.gz GVNOYZYFUREDMV-HNNXBMFYSA-N 1 2 348.491 3.194 10 30 EGEELO C=CC(C)(C)C(=O)NCC1C[NH+](Cc2cccc(OC)c2Cl)C1 ZINC001494578785 1396474861 /nfs/dbraw/zinc/47/48/61/1396474861.db2.gz AULYXDAMBAQZPH-UHFFFAOYSA-N 1 2 336.863 3.109 10 30 EGEELO CC#CCCCC(=O)NCC1C[NH+](Cc2cccc(OC)c2Cl)C1 ZINC001494585586 1396477437 /nfs/dbraw/zinc/47/74/37/1396477437.db2.gz SYNRWWVFVQQXIV-UHFFFAOYSA-N 1 2 348.874 3.090 10 30 EGEELO CC[C@@H](C)CCC(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1C#N ZINC001496805596 1396730231 /nfs/dbraw/zinc/73/02/31/1396730231.db2.gz DNTBGSHXSXFZHH-OAHLLOKOSA-N 1 2 333.451 3.414 10 30 EGEELO CC[C@@H](C)CCC(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001496805596 1396730234 /nfs/dbraw/zinc/73/02/34/1396730234.db2.gz DNTBGSHXSXFZHH-OAHLLOKOSA-N 1 2 333.451 3.414 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CSC(C)C)[C@H]1CC ZINC001689163300 1396955023 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C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001690046227 1404280025 /nfs/dbraw/zinc/28/00/25/1404280025.db2.gz CJLKRDSVJKOPFD-BBRMVZONSA-N 1 2 338.854 3.337 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001690046227 1404280031 /nfs/dbraw/zinc/28/00/31/1404280031.db2.gz CJLKRDSVJKOPFD-BBRMVZONSA-N 1 2 338.854 3.337 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)[C@@H](C)C1 ZINC001725002597 1425411564 /nfs/dbraw/zinc/41/15/64/1425411564.db2.gz KRXVPTVXOQQMNS-PGLBUVMCSA-N 1 2 331.287 3.468 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)[C@@H](C)C1 ZINC001725002597 1425411567 /nfs/dbraw/zinc/41/15/67/1425411567.db2.gz KRXVPTVXOQQMNS-PGLBUVMCSA-N 1 2 331.287 3.468 10 30 EGEELO C=CCC(CC=C)C(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC001690811584 1404748471 /nfs/dbraw/zinc/74/84/71/1404748471.db2.gz VMDVOLZBIBUGNG-SFHVURJKSA-N 1 2 331.460 3.174 10 30 EGEELO C=CCC(CC=C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC001690811584 1404748473 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C=CC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccc(OC)cc1 ZINC000097504254 219030340 /nfs/dbraw/zinc/03/03/40/219030340.db2.gz DXLAJPJVXWVAJN-UHFFFAOYSA-N 1 2 328.387 3.461 10 30 EGEELO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2cc(C#N)cc(C)n2)cc1 ZINC000341356856 155252243 /nfs/dbraw/zinc/25/22/43/155252243.db2.gz YTIKKHZUDVYIOP-IBGZPJMESA-N 1 2 336.439 3.056 10 30 EGEELO CC(=O)Nc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1Cl ZINC000355307782 166159212 /nfs/dbraw/zinc/15/92/12/166159212.db2.gz BLHJODBCKQEHCS-UHFFFAOYSA-N 1 2 339.786 3.430 10 30 EGEELO Cc1cccc(OCC[N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000459293795 270054700 /nfs/dbraw/zinc/05/47/00/270054700.db2.gz OVVYWEKDJSYHLX-UHFFFAOYSA-N 1 2 325.368 3.286 10 30 EGEELO Cc1cccc(OCC[N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000459293795 270054701 /nfs/dbraw/zinc/05/47/01/270054701.db2.gz OVVYWEKDJSYHLX-UHFFFAOYSA-N 1 2 325.368 3.286 10 30 EGEELO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000456392140 267258216 /nfs/dbraw/zinc/25/82/16/267258216.db2.gz PNVHARIIEQXHFO-PBHICJAKSA-N 1 2 340.427 3.055 10 30 EGEELO Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)c(C#N)c(C)[nH+]1 ZINC000301797872 267348880 /nfs/dbraw/zinc/34/88/80/267348880.db2.gz UOHRNACPCMMHPA-UHFFFAOYSA-N 1 2 340.402 3.158 10 30 EGEELO Cc1[nH+]c2cc(/N=C/c3nc4cc([N+](=O)[O-])ccc4n3C)ccc2n1C ZINC000009090752 282048510 /nfs/dbraw/zinc/04/85/10/282048510.db2.gz HAVAHJMJZODQIJ-VXLYETTFSA-N 1 2 348.366 3.427 10 30 EGEELO C=C(Br)C[N@H+](Cc1cccc(O)c1)C1CCC(O)CC1 ZINC000071915029 454255638 /nfs/dbraw/zinc/25/56/38/454255638.db2.gz PCNZTQGEQUVCDE-UHFFFAOYSA-N 1 2 340.261 3.406 10 30 EGEELO C=C(Br)C[N@@H+](Cc1cccc(O)c1)C1CCC(O)CC1 ZINC000071915029 454255643 /nfs/dbraw/zinc/25/56/43/454255643.db2.gz PCNZTQGEQUVCDE-UHFFFAOYSA-N 1 2 340.261 3.406 10 30 EGEELO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2[C@H](C)C[C@H]2C)c1C#N ZINC000548752609 315043442 /nfs/dbraw/zinc/04/34/42/315043442.db2.gz LFHZVQAHGMHHII-CHWSQXEVSA-N 1 2 340.427 3.039 10 30 EGEELO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](c3cccnc3)C3CC3)o2)c1 ZINC000570895470 317122599 /nfs/dbraw/zinc/12/25/99/317122599.db2.gz CLFNWPNNELHKOV-GOSISDBHSA-N 1 2 331.379 3.244 10 30 EGEELO Cc1[nH+]c2cc(CNC(=O)c3cc(C)c(C#N)cn3)ccc2n1C1CC1 ZINC000576720583 324671817 /nfs/dbraw/zinc/67/18/17/324671817.db2.gz VWGIXLMPSLUWPX-UHFFFAOYSA-N 1 2 345.406 3.185 10 30 EGEELO Cc1ccccc1N1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000581254648 325346580 /nfs/dbraw/zinc/34/65/80/325346580.db2.gz OUKIJYNIOMNNEO-UHFFFAOYSA-N 1 2 336.395 3.097 10 30 EGEELO COC(=O)c1cnc([C@@H](C)[NH2+]CC#Cc2ccccc2Cl)s1 ZINC000425479168 457570607 /nfs/dbraw/zinc/57/06/07/457570607.db2.gz DFGZBHXRNBQEHG-LLVKDONJSA-N 1 2 334.828 3.285 10 30 EGEELO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164622 460558064 /nfs/dbraw/zinc/55/80/64/460558064.db2.gz DYEURMMGZCRJKC-FXAWDEMLSA-N 1 2 327.472 3.438 10 30 EGEELO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164622 460558070 /nfs/dbraw/zinc/55/80/70/460558070.db2.gz DYEURMMGZCRJKC-FXAWDEMLSA-N 1 2 327.472 3.438 10 30 EGEELO Cc1csc([C@@H]2C[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)CCO2)n1 ZINC000245574816 455334395 /nfs/dbraw/zinc/33/43/95/455334395.db2.gz ZMVLWDBFUIPLEZ-PBHICJAKSA-N 1 2 343.452 3.316 10 30 EGEELO Cc1csc([C@@H]2C[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)CCO2)n1 ZINC000245574816 455334401 /nfs/dbraw/zinc/33/44/01/455334401.db2.gz ZMVLWDBFUIPLEZ-PBHICJAKSA-N 1 2 343.452 3.316 10 30 EGEELO Cc1[nH+]c2ccc(C(=O)N3CCc4c(CC#N)cccc4C3)cc2n1C ZINC000600789447 460605564 /nfs/dbraw/zinc/60/55/64/460605564.db2.gz QRFYQBHJFMQJRZ-UHFFFAOYSA-N 1 2 344.418 3.146 10 30 EGEELO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000057703848 454141774 /nfs/dbraw/zinc/14/17/74/454141774.db2.gz SSKOVJXYWKMJCO-KRWDZBQOSA-N 1 2 348.450 3.016 10 30 EGEELO C=CCCC[N@@H+](C)Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000090549917 454320172 /nfs/dbraw/zinc/32/01/72/454320172.db2.gz RHVVMKPEOVUZIY-UHFFFAOYSA-N 1 2 334.441 3.143 10 30 EGEELO C=CCCC[N@H+](C)Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000090549917 454320176 /nfs/dbraw/zinc/32/01/76/454320176.db2.gz RHVVMKPEOVUZIY-UHFFFAOYSA-N 1 2 334.441 3.143 10 30 EGEELO N#C[C@H](C(=O)c1ccn2c[nH+]cc2c1)c1nc(-c2ccncc2)cs1 ZINC000097034286 454391728 /nfs/dbraw/zinc/39/17/28/454391728.db2.gz UQXQQCLLIDIHCD-OAHLLOKOSA-N 1 2 345.387 3.343 10 30 EGEELO N#Cc1cccc(NC(=O)NCc2ccc[nH+]c2N2CCCCC2)c1 ZINC000065565009 454593383 /nfs/dbraw/zinc/59/33/83/454593383.db2.gz LRNMAOIKQCWKPT-UHFFFAOYSA-N 1 2 335.411 3.265 10 30 EGEELO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](c3nc(C)cs3)C2)cc1 ZINC000092790108 454633867 /nfs/dbraw/zinc/63/38/67/454633867.db2.gz HWJNBPXIACPRPA-SFHVURJKSA-N 1 2 342.464 3.427 10 30 EGEELO C#CCCOc1ccc(C[N@H+]2CCO[C@H](c3nc(C)cs3)C2)cc1 ZINC000092790108 454633871 /nfs/dbraw/zinc/63/38/71/454633871.db2.gz HWJNBPXIACPRPA-SFHVURJKSA-N 1 2 342.464 3.427 10 30 EGEELO Cc1ccccc1[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)[C@H](C)CO1 ZINC000093594739 454721962 /nfs/dbraw/zinc/72/19/62/454721962.db2.gz XIVNBJUTFBMKDY-UZLBHIALSA-N 1 2 346.434 3.476 10 30 EGEELO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H](C)CO1 ZINC000093594739 454721966 /nfs/dbraw/zinc/72/19/66/454721966.db2.gz XIVNBJUTFBMKDY-UZLBHIALSA-N 1 2 346.434 3.476 10 30 EGEELO C=CCOc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000125159932 454801597 /nfs/dbraw/zinc/80/15/97/454801597.db2.gz BPDBEJAIEXDEFN-MAUKXSAKSA-N 1 2 325.412 3.171 10 30 EGEELO CC(C)(C)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000154800652 454930808 /nfs/dbraw/zinc/93/08/08/454930808.db2.gz QVKBMQROIUOYHP-UHFFFAOYSA-N 1 2 335.517 3.093 10 30 EGEELO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H]2CCCc3c2cnn3C)CC1 ZINC000170602823 454939345 /nfs/dbraw/zinc/93/93/45/454939345.db2.gz QUSPEJMTMOXGFE-HRAATJIYSA-N 1 2 349.482 3.048 10 30 EGEELO CCc1nnc(-c2cccc(NCc3c[nH+]c4ccc(C#N)cn34)c2)o1 ZINC000151482438 454991029 /nfs/dbraw/zinc/99/10/29/454991029.db2.gz SHNBZJOSUPNRFC-UHFFFAOYSA-N 1 2 344.378 3.430 10 30 EGEELO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1Cc2ccccc2C1 ZINC000155475329 455006439 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CCc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000246663749 455515347 /nfs/dbraw/zinc/51/53/47/455515347.db2.gz JBTQMBOIYQFRKO-QFBILLFUSA-N 1 2 331.460 3.423 10 30 EGEELO CCc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000246663749 455515350 /nfs/dbraw/zinc/51/53/50/455515350.db2.gz JBTQMBOIYQFRKO-QFBILLFUSA-N 1 2 331.460 3.423 10 30 EGEELO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@](C)(F)C2)c1C ZINC000295044864 455837041 /nfs/dbraw/zinc/83/70/41/455837041.db2.gz AFQXTBGQLOXOER-IBGZPJMESA-N 1 2 331.435 3.374 10 30 EGEELO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@](C)(F)C2)c1C ZINC000295044864 455837043 /nfs/dbraw/zinc/83/70/43/455837043.db2.gz AFQXTBGQLOXOER-IBGZPJMESA-N 1 2 331.435 3.374 10 30 EGEELO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000278809811 455849447 /nfs/dbraw/zinc/84/94/47/455849447.db2.gz OLHYOKFGHAABTL-IEBWSBKVSA-N 1 2 343.471 3.059 10 30 EGEELO N#CC[C@@H]1CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000296465163 455946265 /nfs/dbraw/zinc/94/62/65/455946265.db2.gz VPQOTAXMZIPEPI-KBPBESRZSA-N 1 2 347.488 3.333 10 30 EGEELO CCCC[C@H](ON=C(C)C)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000272731181 456054445 /nfs/dbraw/zinc/05/44/45/456054445.db2.gz KBMNNLBPDOSDRW-ZDUSSCGKSA-N 1 2 338.477 3.041 10 30 EGEELO CCCC[C@H](ON=C(C)C)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000272731181 456054448 /nfs/dbraw/zinc/05/44/48/456054448.db2.gz KBMNNLBPDOSDRW-ZDUSSCGKSA-N 1 2 338.477 3.041 10 30 EGEELO N#Cc1ccc(F)c(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000340237602 456331322 /nfs/dbraw/zinc/33/13/22/456331322.db2.gz OSIDDQSXQZSXKS-RDTXWAMCSA-N 1 2 332.325 3.283 10 30 EGEELO N#Cc1ccc(F)c(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000340237602 456331335 /nfs/dbraw/zinc/33/13/35/456331335.db2.gz OSIDDQSXQZSXKS-RDTXWAMCSA-N 1 2 332.325 3.283 10 30 EGEELO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1nc(C#N)cs1 ZINC000352838862 456354177 /nfs/dbraw/zinc/35/41/77/456354177.db2.gz GTYWCHYNDDQUET-UHFFFAOYSA-N 1 2 337.452 3.166 10 30 EGEELO CCOc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1OC(F)F ZINC000352845194 456357719 /nfs/dbraw/zinc/35/77/19/456357719.db2.gz ZYHXQBGVWIPBBH-UHFFFAOYSA-N 1 2 339.367 3.305 10 30 EGEELO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000298347856 456432127 /nfs/dbraw/zinc/43/21/27/456432127.db2.gz HAPOQXWPMVZDMC-ZOBUZTSGSA-N 1 2 346.500 3.219 10 30 EGEELO C[C@@H]1c2ccsc2CCN1C([O-])=[NH+]C[C@H]1CCCn2cc[nH+]c21 ZINC000328611788 456718832 /nfs/dbraw/zinc/71/88/32/456718832.db2.gz OUNOVEBZBGVBOB-CHWSQXEVSA-N 1 2 330.457 3.355 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@H](C)c1cccnc1)CCC2 ZINC000328653095 456729819 /nfs/dbraw/zinc/72/98/19/456729819.db2.gz KVFMZXYVMNBVJN-ZBFHGGJFSA-N 1 2 327.432 3.071 10 30 EGEELO N#CCC1(O)C[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000338933497 456868976 /nfs/dbraw/zinc/86/89/76/456868976.db2.gz KOQUVNOQWPOJFC-UHFFFAOYSA-N 1 2 328.362 3.057 10 30 EGEELO CC1(C)CCc2ccccc2[C@@H]1[NH+]=C([O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329594047 456913108 /nfs/dbraw/zinc/91/31/08/456913108.db2.gz HTIOEILRIGDMHC-KSSFIOAISA-N 1 2 338.455 3.484 10 30 EGEELO CC1(C)CCc2ccccc2[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329594045 456913379 /nfs/dbraw/zinc/91/33/79/456913379.db2.gz HTIOEILRIGDMHC-KDOFPFPSSA-N 1 2 338.455 3.484 10 30 EGEELO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@]2(CC=CCC2)C1 ZINC000329716601 456930486 /nfs/dbraw/zinc/93/04/86/456930486.db2.gz WQJYWFSNENDQKN-LJQANCHMSA-N 1 2 328.460 3.456 10 30 EGEELO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330211222 457004156 /nfs/dbraw/zinc/00/41/56/457004156.db2.gz CXGHQNFQHQZXMG-INMHGKMJSA-N 1 2 348.447 3.132 10 30 EGEELO Cc1oc(C#N)cc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000331227556 457150067 /nfs/dbraw/zinc/15/00/67/457150067.db2.gz OAZXRPNZUMAPPK-ZDUSSCGKSA-N 1 2 341.386 3.118 10 30 EGEELO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)c1C#N ZINC000339573724 457150394 /nfs/dbraw/zinc/15/03/94/457150394.db2.gz OLSSNFPWRBXZMS-HIFRSBDPSA-N 1 2 336.439 3.245 10 30 EGEELO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)c1C#N ZINC000339573724 457150400 /nfs/dbraw/zinc/15/04/00/457150400.db2.gz OLSSNFPWRBXZMS-HIFRSBDPSA-N 1 2 336.439 3.245 10 30 EGEELO N#CCCCNC(=O)[C@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000346775509 457163631 /nfs/dbraw/zinc/16/36/31/457163631.db2.gz XJCDPVHSTHEJIF-INIZCTEOSA-N 1 2 337.826 3.426 10 30 EGEELO CO[C@H](C)c1noc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)n1 ZINC000354319211 457184942 /nfs/dbraw/zinc/18/49/42/457184942.db2.gz NEANYZXIBMTMQF-CQSZACIVSA-N 1 2 344.415 3.092 10 30 EGEELO CO[C@H](C)c1noc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)n1 ZINC000354319211 457184945 /nfs/dbraw/zinc/18/49/45/457184945.db2.gz NEANYZXIBMTMQF-CQSZACIVSA-N 1 2 344.415 3.092 10 30 EGEELO Cc1cc(OCC(=O)NCc2cccc(C#N)c2)c2cccc(C)c2[nH+]1 ZINC000354537981 457277193 /nfs/dbraw/zinc/27/71/93/457277193.db2.gz PSGPZIAULMDBLW-UHFFFAOYSA-N 1 2 345.402 3.419 10 30 EGEELO CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H](C)c1ccc(C#N)cc1 ZINC000357113484 457329445 /nfs/dbraw/zinc/32/94/45/457329445.db2.gz ATJLIIWYXKSAPN-OAHLLOKOSA-N 1 2 345.406 3.362 10 30 EGEELO C=CCCOCCCCC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000342611539 457401636 /nfs/dbraw/zinc/40/16/36/457401636.db2.gz AZJAFIPZBYHQFM-UHFFFAOYSA-N 1 2 335.835 3.367 10 30 EGEELO C=CCN(CCOC)C(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000355982783 457436465 /nfs/dbraw/zinc/43/64/65/457436465.db2.gz JEOSHWOTNNPMQV-UHFFFAOYSA-N 1 2 329.444 3.040 10 30 EGEELO C=C[C@@H]1OCC[C@H]1CNc1[nH+]ccc2cc(Br)ccc21 ZINC000425260835 457473562 /nfs/dbraw/zinc/47/35/62/457473562.db2.gz BABVRHVPIXMKAO-WFASDCNBSA-N 1 2 333.229 3.422 10 30 EGEELO C=CCOc1ccccc1CN1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000352754506 457583909 /nfs/dbraw/zinc/58/39/09/457583909.db2.gz JIBRJOXUKAXLBQ-CMKODMSKSA-N 1 2 344.499 3.325 10 30 EGEELO C[C@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000374531756 457651246 /nfs/dbraw/zinc/65/12/46/457651246.db2.gz VROWBUVGDUMWMP-SFHVURJKSA-N 1 2 325.437 3.222 10 30 EGEELO C[C@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000374531756 457651252 /nfs/dbraw/zinc/65/12/52/457651252.db2.gz VROWBUVGDUMWMP-SFHVURJKSA-N 1 2 325.437 3.222 10 30 EGEELO N#CC1(CC[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)CCCCC1 ZINC000411378375 457869478 /nfs/dbraw/zinc/86/94/78/457869478.db2.gz NQQGOXOXDAWPCL-AWEZNQCLSA-N 1 2 332.473 3.410 10 30 EGEELO N#CC1(CC[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)CCCCC1 ZINC000411378375 457869485 /nfs/dbraw/zinc/86/94/85/457869485.db2.gz NQQGOXOXDAWPCL-AWEZNQCLSA-N 1 2 332.473 3.410 10 30 EGEELO CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458801799 458177583 /nfs/dbraw/zinc/17/75/83/458177583.db2.gz NXDQBKSLDRGTCN-SFHVURJKSA-N 1 2 339.443 3.350 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)C2 ZINC000369572594 458271747 /nfs/dbraw/zinc/27/17/47/458271747.db2.gz ZTEDNIDUDZDNDA-LPMFXHHGSA-N 1 2 328.460 3.227 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)CC2 ZINC000369572594 458271751 /nfs/dbraw/zinc/27/17/51/458271751.db2.gz ZTEDNIDUDZDNDA-LPMFXHHGSA-N 1 2 328.460 3.227 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)C2 ZINC000369572593 458272295 /nfs/dbraw/zinc/27/22/95/458272295.db2.gz ZTEDNIDUDZDNDA-BIENJYKASA-N 1 2 328.460 3.227 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)CC2 ZINC000369572593 458272302 /nfs/dbraw/zinc/27/23/02/458272302.db2.gz ZTEDNIDUDZDNDA-BIENJYKASA-N 1 2 328.460 3.227 10 30 EGEELO COc1ccccc1[C@@H](Nc1ccc(C)c(C#N)n1)c1[nH+]ccn1C ZINC000376414801 458294445 /nfs/dbraw/zinc/29/44/45/458294445.db2.gz MDADVBXZLIFRIU-GOSISDBHSA-N 1 2 333.395 3.205 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CCC#N)Cc1ccco1)C2 ZINC000372389902 458297190 /nfs/dbraw/zinc/29/71/90/458297190.db2.gz OQKQHBKRJFUAQR-CQSZACIVSA-N 1 2 340.427 3.173 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(CCC#N)Cc1ccco1)CC2 ZINC000372389902 458297196 /nfs/dbraw/zinc/29/71/96/458297196.db2.gz OQKQHBKRJFUAQR-CQSZACIVSA-N 1 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/nfs/dbraw/zinc/67/78/07/458677807.db2.gz LLAHUQATFIFTAU-FQEVSTJZSA-N 1 2 343.446 3.208 10 30 EGEELO Cc1ccccc1[C@]1(F)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000502894529 458677817 /nfs/dbraw/zinc/67/78/17/458677817.db2.gz LLAHUQATFIFTAU-FQEVSTJZSA-N 1 2 343.446 3.208 10 30 EGEELO Cc1ccccc1[C@@]1(F)CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000502894530 458678862 /nfs/dbraw/zinc/67/88/62/458678862.db2.gz LLAHUQATFIFTAU-HXUWFJFHSA-N 1 2 343.446 3.208 10 30 EGEELO Cc1ccccc1[C@@]1(F)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000502894530 458678869 /nfs/dbraw/zinc/67/88/69/458678869.db2.gz LLAHUQATFIFTAU-HXUWFJFHSA-N 1 2 343.446 3.208 10 30 EGEELO C=CCC1(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CCOCC1 ZINC000424772461 458727012 /nfs/dbraw/zinc/72/70/12/458727012.db2.gz FBVJKJLSKLTOHZ-INIZCTEOSA-N 1 2 348.512 3.326 10 30 EGEELO C=CCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000472775282 458809102 /nfs/dbraw/zinc/80/91/02/458809102.db2.gz UVEINLRKPZJVOA-IAGOWNOFSA-N 1 2 337.414 3.366 10 30 EGEELO C=CCCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000472775282 458809107 /nfs/dbraw/zinc/80/91/07/458809107.db2.gz UVEINLRKPZJVOA-IAGOWNOFSA-N 1 2 337.414 3.366 10 30 EGEELO C=CCOc1ccc(C[NH2+][C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)cc1 ZINC000517036075 458825267 /nfs/dbraw/zinc/82/52/67/458825267.db2.gz VULIHNRBMXXTKQ-QRQLOZEOSA-N 1 2 347.455 3.088 10 30 EGEELO COC(=O)c1cccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1C#N ZINC000548165151 458848153 /nfs/dbraw/zinc/84/81/53/458848153.db2.gz PIFQRRZKVKTCFB-UHFFFAOYSA-N 1 2 332.403 3.392 10 30 EGEELO COC(=O)c1cccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)c1C#N ZINC000548165151 458848159 /nfs/dbraw/zinc/84/81/59/458848159.db2.gz PIFQRRZKVKTCFB-UHFFFAOYSA-N 1 2 332.403 3.392 10 30 EGEELO Clc1ccccc1C#CC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000441161142 458893861 /nfs/dbraw/zinc/89/38/61/458893861.db2.gz BKGIGWFBUYUMME-UHFFFAOYSA-N 1 2 331.872 3.360 10 30 EGEELO Clc1ccccc1C#CC[N@H+]1CCCN(c2nccs2)CC1 ZINC000441161142 458893866 /nfs/dbraw/zinc/89/38/66/458893866.db2.gz BKGIGWFBUYUMME-UHFFFAOYSA-N 1 2 331.872 3.360 10 30 EGEELO C[N@H+](CC#Cc1ccccc1Cl)[C@H]1CCN(c2ccccc2)C1=O ZINC000441241340 458905123 /nfs/dbraw/zinc/90/51/23/458905123.db2.gz SLDSVUKJBPESGJ-IBGZPJMESA-N 1 2 338.838 3.429 10 30 EGEELO C[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCN(c2ccccc2)C1=O ZINC000441241340 458905129 /nfs/dbraw/zinc/90/51/29/458905129.db2.gz SLDSVUKJBPESGJ-IBGZPJMESA-N 1 2 338.838 3.429 10 30 EGEELO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)s1 ZINC000594949971 459188667 /nfs/dbraw/zinc/18/86/67/459188667.db2.gz JTDBRFXKSOFHKE-GFCCVEGCSA-N 1 2 341.436 3.336 10 30 EGEELO C=CC[NH+](CC=C)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000533239697 459205832 /nfs/dbraw/zinc/20/58/32/459205832.db2.gz BDOXWFQTDROZOK-UHFFFAOYSA-N 1 2 343.452 3.431 10 30 EGEELO C=CC[N@@H+](CCc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000578565671 459222733 /nfs/dbraw/zinc/22/27/33/459222733.db2.gz GKAXNRBFNBFBEP-GOSISDBHSA-N 1 2 335.513 3.202 10 30 EGEELO C=CC[N@H+](CCc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 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336.520 3.375 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@@H]1COC2(C[NH+](Cc3cccc(C)c3)C2)C1 ZINC001327396064 1388510318 /nfs/dbraw/zinc/51/03/18/1388510318.db2.gz DKTUJXACOFDRBM-SFHVURJKSA-N 1 2 342.483 3.057 10 30 EGEELO C=CC1(CC(=O)N2C[C@H]([NH2+]Cc3csnn3)[C@@H](C)C2)CCCCC1 ZINC001274259523 1378119380 /nfs/dbraw/zinc/11/93/80/1378119380.db2.gz FNQDXTLBPMISSL-HOCLYGCPSA-N 1 2 348.516 3.001 10 30 EGEELO C=CC1(CC(=O)N(C)C[C@H](C)[NH2+]Cc2csnn2)CCCCC1 ZINC001277962748 1378253623 /nfs/dbraw/zinc/25/36/23/1378253623.db2.gz MVADODYELMGTSP-AWEZNQCLSA-N 1 2 336.505 3.001 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nc(C2CCCC2)no1 ZINC001282135242 1378479716 /nfs/dbraw/zinc/47/97/16/1378479716.db2.gz XURNLUKWPGERJU-KBPBESRZSA-N 1 2 348.491 3.312 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@H]1C[N@@H+](Cc2csc(C)n2)CC1(C)C ZINC001282812149 1378622615 /nfs/dbraw/zinc/62/26/15/1378622615.db2.gz TUNOWFXJVOXTJR-HNNXBMFYSA-N 1 2 335.517 3.380 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+](Cc2csc(C)n2)CC1(C)C 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MLISIRKASRQFTQ-RHSMWYFYSA-N 1 2 346.475 3.130 10 30 EGEELO C#C[C@@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)c1ccc(F)cc1 ZINC001298350479 1383395595 /nfs/dbraw/zinc/39/55/95/1383395595.db2.gz VAKCRBQEUMGJFC-LJQANCHMSA-N 1 2 345.377 3.491 10 30 EGEELO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC001170095268 1384235513 /nfs/dbraw/zinc/23/55/13/1384235513.db2.gz QCLKUKDQRIBJOP-AWEZNQCLSA-N 1 2 328.362 3.427 10 30 EGEELO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC001170095268 1384235517 /nfs/dbraw/zinc/23/55/17/1384235517.db2.gz QCLKUKDQRIBJOP-AWEZNQCLSA-N 1 2 328.362 3.427 10 30 EGEELO C#CC[N@H+](Cc1ccccc1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC001170096336 1384235525 /nfs/dbraw/zinc/23/55/25/1384235525.db2.gz WADNSBYKNIXQBN-SFHVURJKSA-N 1 2 340.373 3.206 10 30 EGEELO C#CC[N@@H+](Cc1ccccc1)[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC001170096336 1384235527 /nfs/dbraw/zinc/23/55/27/1384235527.db2.gz WADNSBYKNIXQBN-SFHVURJKSA-N 1 2 340.373 3.206 10 30 EGEELO C=CCC(CC=C)C(=O)N1CCCCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001316771910 1384570715 /nfs/dbraw/zinc/57/07/15/1384570715.db2.gz OTIUGISCSVVFGU-MRXNPFEDSA-N 1 2 348.516 3.167 10 30 EGEELO C#CCCCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001316804973 1384595958 /nfs/dbraw/zinc/59/59/58/1384595958.db2.gz HKLYFRRBZUQNKQ-SFHVURJKSA-N 1 2 345.487 3.380 10 30 EGEELO C#CCCCCCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001316804973 1384595959 /nfs/dbraw/zinc/59/59/59/1384595959.db2.gz HKLYFRRBZUQNKQ-SFHVURJKSA-N 1 2 345.487 3.380 10 30 EGEELO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](Cc2csnn2)CC(C)(C)C1 ZINC001316811044 1384608273 /nfs/dbraw/zinc/60/82/73/1384608273.db2.gz NPFPYDTVRAYVBV-CQSZACIVSA-N 1 2 336.505 3.001 10 30 EGEELO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2csnn2)CC(C)(C)C1 ZINC001316811044 1384608274 /nfs/dbraw/zinc/60/82/74/1384608274.db2.gz NPFPYDTVRAYVBV-CQSZACIVSA-N 1 2 336.505 3.001 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)C1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC001316932760 1384703956 /nfs/dbraw/zinc/70/39/56/1384703956.db2.gz GGAKCOSACYRZMT-UHFFFAOYSA-N 1 2 333.476 3.317 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001316943229 1384715029 /nfs/dbraw/zinc/71/50/29/1384715029.db2.gz DYTHIJHOXXKPHF-OAHLLOKOSA-N 1 2 345.487 3.236 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001316943229 1384715033 /nfs/dbraw/zinc/71/50/33/1384715033.db2.gz DYTHIJHOXXKPHF-OAHLLOKOSA-N 1 2 345.487 3.236 10 30 EGEELO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001316948181 1384720247 /nfs/dbraw/zinc/72/02/47/1384720247.db2.gz DNHYLWVRKCFRKI-JKSUJKDBSA-N 1 2 335.879 3.298 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001316948181 1384720249 /nfs/dbraw/zinc/72/02/49/1384720249.db2.gz DNHYLWVRKCFRKI-JKSUJKDBSA-N 1 2 335.879 3.298 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001316949590 1384722410 /nfs/dbraw/zinc/72/24/10/1384722410.db2.gz VSEABIYOVBJKSF-GOEBONIOSA-N 1 2 331.460 3.235 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001316949590 1384722413 /nfs/dbraw/zinc/72/24/13/1384722413.db2.gz VSEABIYOVBJKSF-GOEBONIOSA-N 1 2 331.460 3.235 10 30 EGEELO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)c1ccncc1 ZINC001317173745 1384942642 /nfs/dbraw/zinc/94/26/42/1384942642.db2.gz QHEJIKVAVNTZLU-PBHICJAKSA-N 1 2 335.879 3.298 10 30 EGEELO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)c1ccncc1 ZINC001317173745 1384942648 /nfs/dbraw/zinc/94/26/48/1384942648.db2.gz QHEJIKVAVNTZLU-PBHICJAKSA-N 1 2 335.879 3.298 10 30 EGEELO C#CCCCCC(=O)N[C@H]1C[N@H+](CC=C(Cl)Cl)CC1(C)C ZINC001330194482 1389335866 /nfs/dbraw/zinc/33/58/66/1389335866.db2.gz VSSIHBCWEPDNDE-ZDUSSCGKSA-N 1 2 331.287 3.326 10 30 EGEELO C=CCC1(C(=O)NCC[N@@H+](CC)[C@@H](C)c2ncccn2)CCCC1 ZINC001317491742 1385192460 /nfs/dbraw/zinc/19/24/60/1385192460.db2.gz MLQNSAPEAVBLTN-INIZCTEOSA-N 1 2 330.476 3.112 10 30 EGEELO C=CCC1(C(=O)NCC[N@H+](CC)[C@@H](C)c2ncccn2)CCCC1 ZINC001317491742 1385192462 /nfs/dbraw/zinc/19/24/62/1385192462.db2.gz MLQNSAPEAVBLTN-INIZCTEOSA-N 1 2 330.476 3.112 10 30 EGEELO CCC[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001317961286 1385588280 /nfs/dbraw/zinc/58/82/80/1385588280.db2.gz MLUAKRUNUGKFKS-YOEHRIQHSA-N 1 2 331.435 3.214 10 30 EGEELO CCC[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001317961286 1385588281 /nfs/dbraw/zinc/58/82/81/1385588281.db2.gz MLUAKRUNUGKFKS-YOEHRIQHSA-N 1 2 331.435 3.214 10 30 EGEELO C=CCC(C)(C)C(=O)NC1C[NH+](CCOc2cc(C)ccc2C)C1 ZINC001318066993 1385623120 /nfs/dbraw/zinc/62/31/20/1385623120.db2.gz KCEHFELLZJRSNB-UHFFFAOYSA-N 1 2 330.472 3.085 10 30 EGEELO C=CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\Cl)c1ccccc1 ZINC001318228776 1385633773 /nfs/dbraw/zinc/63/37/73/1385633773.db2.gz QZEKHBLZWZBIKR-ZAOYXZNDSA-N 1 2 330.859 3.384 10 30 EGEELO C=CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl)c1ccccc1 ZINC001318228776 1385633776 /nfs/dbraw/zinc/63/37/76/1385633776.db2.gz QZEKHBLZWZBIKR-ZAOYXZNDSA-N 1 2 330.859 3.384 10 30 EGEELO C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC001318428269 1385684221 /nfs/dbraw/zinc/68/42/21/1385684221.db2.gz IQHLFKRZJZVZTK-MRXNPFEDSA-N 1 2 330.476 3.180 10 30 EGEELO C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC001318428269 1385684228 /nfs/dbraw/zinc/68/42/28/1385684228.db2.gz IQHLFKRZJZVZTK-MRXNPFEDSA-N 1 2 330.476 3.180 10 30 EGEELO Cc1csc(C(=O)N(C)CC[N@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC001319994791 1386442295 /nfs/dbraw/zinc/44/22/95/1386442295.db2.gz MAKGXIDCHQAXPG-UHFFFAOYSA-N 1 2 345.443 3.271 10 30 EGEELO Cc1csc(C(=O)N(C)CC[N@@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC001319994791 1386442296 /nfs/dbraw/zinc/44/22/96/1386442296.db2.gz MAKGXIDCHQAXPG-UHFFFAOYSA-N 1 2 345.443 3.271 10 30 EGEELO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC001320899182 1386751462 /nfs/dbraw/zinc/75/14/62/1386751462.db2.gz QGRSTPWUMKTTKP-WCQYABFASA-N 1 2 326.799 3.083 10 30 EGEELO C=CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC001320899182 1386751466 /nfs/dbraw/zinc/75/14/66/1386751466.db2.gz QGRSTPWUMKTTKP-WCQYABFASA-N 1 2 326.799 3.083 10 30 EGEELO C#CC[C@H]([NH2+]CCCCc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC001182272053 1387135673 /nfs/dbraw/zinc/13/56/73/1387135673.db2.gz NEDQXSJJWFIORO-HNNXBMFYSA-N 1 2 328.239 3.471 10 30 EGEELO C=C(C)CCC(=O)NCCC1CC[NH+]([C@@H](C)c2csnn2)CC1 ZINC001698721421 1406367857 /nfs/dbraw/zinc/36/78/57/1406367857.db2.gz OAKTUAWRVRJYAW-AWEZNQCLSA-N 1 2 336.505 3.174 10 30 EGEELO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC=C(Cl)Cl)CC1(C)C ZINC001330173631 1389326117 /nfs/dbraw/zinc/32/61/17/1389326117.db2.gz AAXKCDOTXMUSQR-QWHCGFSZSA-N 1 2 349.302 3.113 10 30 EGEELO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC=C(Cl)Cl)CC1(C)C ZINC001330173631 1389326122 /nfs/dbraw/zinc/32/61/22/1389326122.db2.gz AAXKCDOTXMUSQR-QWHCGFSZSA-N 1 2 349.302 3.113 10 30 EGEELO C#CCCCCC(=O)N[C@H]1C[N@@H+](CC=C(Cl)Cl)CC1(C)C ZINC001330194482 1389335861 /nfs/dbraw/zinc/33/58/61/1389335861.db2.gz VSSIHBCWEPDNDE-ZDUSSCGKSA-N 1 2 331.287 3.326 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CC(=C)Br)CC1(C)C ZINC001330220127 1389346064 /nfs/dbraw/zinc/34/60/64/1389346064.db2.gz FKKZKSJEQSNTCQ-ZIAGYGMSSA-N 1 2 343.309 3.324 10 30 EGEELO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=C)Br)CC1(C)C ZINC001330220127 1389346069 /nfs/dbraw/zinc/34/60/69/1389346069.db2.gz FKKZKSJEQSNTCQ-ZIAGYGMSSA-N 1 2 343.309 3.324 10 30 EGEELO C=CC(C)(C)CCCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001330559834 1389454541 /nfs/dbraw/zinc/45/45/41/1389454541.db2.gz DFDLESDWWYNVLC-INIZCTEOSA-N 1 2 332.492 3.377 10 30 EGEELO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H](CF)C1 ZINC001339137632 1389916436 /nfs/dbraw/zinc/91/64/36/1389916436.db2.gz WHPDGUZJHIWXPS-JKSUJKDBSA-N 1 2 346.454 3.092 10 30 EGEELO CC[C@H](C)C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cc(F)ccc1C#N)CC2 ZINC001332072033 1389970363 /nfs/dbraw/zinc/97/03/63/1389970363.db2.gz UXKZBKVJTTVVSN-QMIHWGKISA-N 1 2 343.446 3.357 10 30 EGEELO CC[C@H](C)C(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cc(F)ccc1C#N)CC2 ZINC001332072033 1389970367 /nfs/dbraw/zinc/97/03/67/1389970367.db2.gz UXKZBKVJTTVVSN-QMIHWGKISA-N 1 2 343.446 3.357 10 30 EGEELO C#CCCCCC(=O)N[C@H]1CCC[N@H+](Cc2nc(C)sc2C)[C@H]1C ZINC001332177543 1390023027 /nfs/dbraw/zinc/02/30/27/1390023027.db2.gz PWJVLGVKKFFTBF-YOEHRIQHSA-N 1 2 347.528 3.423 10 30 EGEELO C#CCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)sc2C)[C@H]1C ZINC001332177543 1390023031 /nfs/dbraw/zinc/02/30/31/1390023031.db2.gz PWJVLGVKKFFTBF-YOEHRIQHSA-N 1 2 347.528 3.423 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001332209661 1390045201 /nfs/dbraw/zinc/04/52/01/1390045201.db2.gz YYZOZVHSFDOWGL-GDBMZVCRSA-N 1 2 333.476 3.363 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001332209661 1390045206 /nfs/dbraw/zinc/04/52/06/1390045206.db2.gz YYZOZVHSFDOWGL-GDBMZVCRSA-N 1 2 333.476 3.363 10 30 EGEELO C=CCCC(=O)NCC1=CC[N@H+](CC#Cc2ccccc2Cl)CC1 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CN(CCC#N)c1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000245556938 455329316 /nfs/dbraw/zinc/32/93/16/455329316.db2.gz JLNYWHLSIUWSRM-QGZVFWFLSA-N 1 2 342.468 3.066 10 30 EGEELO CN(CCC#N)c1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000245556938 455329320 /nfs/dbraw/zinc/32/93/20/455329320.db2.gz JLNYWHLSIUWSRM-QGZVFWFLSA-N 1 2 342.468 3.066 10 30 EGEELO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccco2)C1=O ZINC000246280446 455463901 /nfs/dbraw/zinc/46/39/01/455463901.db2.gz AHYYGCWUOWZEJB-KGLIPLIRSA-N 1 2 327.409 3.155 10 30 EGEELO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H]2c2ccco2)C1=O ZINC000246280446 455463904 /nfs/dbraw/zinc/46/39/04/455463904.db2.gz AHYYGCWUOWZEJB-KGLIPLIRSA-N 1 2 327.409 3.155 10 30 EGEELO C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000185232818 455526628 /nfs/dbraw/zinc/52/66/28/455526628.db2.gz LZIZDXADHCPUDO-IEBWSBKVSA-N 1 2 330.472 3.087 10 30 EGEELO C[C@@]([NH2+]CC#Cc1ccccc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000192114389 455558637 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C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1cccc(C#N)c1O ZINC000872129158 1296752789 /nfs/dbraw/zinc/75/27/89/1296752789.db2.gz VHJGALQIEGARNL-WBMJQRKESA-N 1 2 330.815 3.171 10 30 EGEELO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872280651 1296887246 /nfs/dbraw/zinc/88/72/46/1296887246.db2.gz NZVGPPIUAXUGCU-MOPGFXCFSA-N 1 2 342.439 3.196 10 30 EGEELO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872280651 1296887267 /nfs/dbraw/zinc/88/72/67/1296887267.db2.gz NZVGPPIUAXUGCU-MOPGFXCFSA-N 1 2 342.439 3.196 10 30 EGEELO C#C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000877638293 1299446430 /nfs/dbraw/zinc/44/64/30/1299446430.db2.gz VWSSNZKJUDFZGI-BVSLBCMMSA-N 1 2 338.495 3.373 10 30 EGEELO C#C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000877638293 1299446434 /nfs/dbraw/zinc/44/64/34/1299446434.db2.gz VWSSNZKJUDFZGI-BVSLBCMMSA-N 1 2 338.495 3.373 10 30 EGEELO C=CCN1CC[C@H]([NH2+]C(C)(C)c2nc3cc(Cl)ccc3o2)C1=O 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3.447 10 30 EGEELO C#CC[N@H+](Cc1cncc(-c2cc(F)ccc2OC)c1)C1CSC1 ZINC000930959665 1329016109 /nfs/dbraw/zinc/01/61/09/1329016109.db2.gz BVAXJGFYFGSCEA-UHFFFAOYSA-N 1 2 342.439 3.447 10 30 EGEELO N#Cc1cc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)cs1 ZINC000922317426 1322499514 /nfs/dbraw/zinc/49/95/14/1322499514.db2.gz OAJUDANNOWNABB-UHFFFAOYSA-N 1 2 340.374 3.461 10 30 EGEELO COc1cc2c(cc1O)CC[N@H+](Cc1cc(Cl)cc(C#N)c1)C2 ZINC000931762654 1329179027 /nfs/dbraw/zinc/17/90/27/1329179027.db2.gz QLTGUEVIYVBWBZ-UHFFFAOYSA-N 1 2 328.799 3.484 10 30 EGEELO COc1cc2c(cc1O)CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C2 ZINC000931762654 1329179028 /nfs/dbraw/zinc/17/90/28/1329179028.db2.gz QLTGUEVIYVBWBZ-UHFFFAOYSA-N 1 2 328.799 3.484 10 30 EGEELO CC[C@H]([NH2+]CCCc1c(C)nn(C)c1C)c1cccc(C#N)c1O ZINC000925688535 1325261774 /nfs/dbraw/zinc/26/17/74/1325261774.db2.gz GBQNKQILJQBJJK-SFHVURJKSA-N 1 2 326.444 3.288 10 30 EGEELO CC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cccc(C#N)c1O ZINC000926497552 1325576399 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C[C@H]1CCN(c2cc(C(F)(F)F)cc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000865612051 1329719857 /nfs/dbraw/zinc/71/98/57/1329719857.db2.gz MKMOACFTORXRCY-FZMZJTMJSA-N 1 2 335.333 3.256 10 30 EGEELO C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cccc(C#N)c1O ZINC000866238218 1330083145 /nfs/dbraw/zinc/08/31/45/1330083145.db2.gz NPMOOKQAIDWBGL-DNVCBOLYSA-N 1 2 349.434 3.278 10 30 EGEELO C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(C#N)c1O ZINC000866352665 1330101008 /nfs/dbraw/zinc/10/10/08/1330101008.db2.gz KABSXUGAMJBUPU-LBPRGKRZSA-N 1 2 328.441 3.040 10 30 EGEELO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)CC2(C)C)C1 ZINC000941016873 1331294456 /nfs/dbraw/zinc/29/44/56/1331294456.db2.gz KOYKFJCFFDLGQK-INIZCTEOSA-N 1 2 331.460 3.056 10 30 EGEELO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)CC2(C)C)C1 ZINC000941016873 1331294457 /nfs/dbraw/zinc/29/44/57/1331294457.db2.gz KOYKFJCFFDLGQK-INIZCTEOSA-N 1 2 331.460 3.056 10 30 EGEELO C=CC[N@@H+](CCOC)Cc1cc(OC)c(Br)cc1F ZINC001205659262 1370831762 /nfs/dbraw/zinc/83/17/62/1370831762.db2.gz GKODGDGRQWEGGC-UHFFFAOYSA-N 1 2 332.213 3.231 10 30 EGEELO C=CC[N@H+](CCOC)Cc1cc(OC)c(Br)cc1F ZINC001205659262 1370831773 /nfs/dbraw/zinc/83/17/73/1370831773.db2.gz GKODGDGRQWEGGC-UHFFFAOYSA-N 1 2 332.213 3.231 10 30 EGEELO CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C1CCCC1 ZINC001323247001 1387317213 /nfs/dbraw/zinc/31/72/13/1387317213.db2.gz RBJBKLKSEAPVEH-FQEVSTJZSA-N 1 2 338.495 3.445 10 30 EGEELO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C1CCCC1 ZINC001323247001 1387317215 /nfs/dbraw/zinc/31/72/15/1387317215.db2.gz RBJBKLKSEAPVEH-FQEVSTJZSA-N 1 2 338.495 3.445 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)c1nc2ccccc2o1 ZINC001323280427 1387322728 /nfs/dbraw/zinc/32/27/28/1387322728.db2.gz YLSJQYKLABLTTA-KBPBESRZSA-N 1 2 327.428 3.292 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)c1nc2ccccc2o1 ZINC001323280427 1387322730 /nfs/dbraw/zinc/32/27/30/1387322730.db2.gz YLSJQYKLABLTTA-KBPBESRZSA-N 1 2 327.428 3.292 10 30 EGEELO C#CCN(C(=O)[C@@H](C)C(C)C)C1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC001324426626 1387621505 /nfs/dbraw/zinc/62/15/05/1387621505.db2.gz MIMHGTNHPSBZHJ-HNNXBMFYSA-N 1 2 345.487 3.010 10 30 EGEELO C=C(C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC001324620997 1387703626 /nfs/dbraw/zinc/70/36/26/1387703626.db2.gz WFXPYJWPZQWBME-LJQANCHMSA-N 1 2 333.476 3.409 10 30 EGEELO C=C(C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC001324620997 1387703629 /nfs/dbraw/zinc/70/36/29/1387703629.db2.gz WFXPYJWPZQWBME-LJQANCHMSA-N 1 2 333.476 3.409 10 30 EGEELO Cc1cc(C#N)cc(C)c1CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001197116536 1368748141 /nfs/dbraw/zinc/74/81/41/1368748141.db2.gz RMHOESHYMGTNCI-UHFFFAOYSA-N 1 2 335.451 3.199 10 30 EGEELO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc([N+](=O)[O-])cc1 ZINC001197646392 1368861821 /nfs/dbraw/zinc/86/18/21/1368861821.db2.gz GQIYUDIKBPLWBK-GFCCVEGCSA-N 1 2 349.350 3.367 10 30 EGEELO C=C(Br)C[NH2+]Cc1ncc(Br)cc1Cl ZINC001200244735 1369334589 /nfs/dbraw/zinc/33/45/89/1369334589.db2.gz YAXCRCWUWXLRDL-UHFFFAOYSA-N 1 2 340.446 3.496 10 30 EGEELO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC001187362472 1388099371 /nfs/dbraw/zinc/09/93/71/1388099371.db2.gz ZCJTXIPNVQFJST-KRWDZBQOSA-N 1 2 326.331 3.204 10 30 EGEELO C[N@H+]1Cc2ccccc2[C@@H]1CNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC001187362472 1388099373 /nfs/dbraw/zinc/09/93/73/1388099373.db2.gz ZCJTXIPNVQFJST-KRWDZBQOSA-N 1 2 326.331 3.204 10 30 EGEELO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2nc(CC)no2)C1 ZINC001266103805 1377187945 /nfs/dbraw/zinc/18/79/45/1377187945.db2.gz XYRHFQDIAIASSF-LSDHHAIUSA-N 1 2 348.491 3.218 10 30 EGEELO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2nc(CC)no2)C1 ZINC001266103805 1377187946 /nfs/dbraw/zinc/18/79/46/1377187946.db2.gz XYRHFQDIAIASSF-LSDHHAIUSA-N 1 2 348.491 3.218 10 30 EGEELO C=C(C)[C@@H](CC(=O)N[C@H]1CCC[N@H+](CC=C(Cl)Cl)C1)OCC ZINC001266221789 1377233356 /nfs/dbraw/zinc/23/33/56/1377233356.db2.gz IURHVZXSMUAWCC-UONOGXRCSA-N 1 2 349.302 3.257 10 30 EGEELO C=C(C)[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CC=C(Cl)Cl)C1)OCC ZINC001266221789 1377233363 /nfs/dbraw/zinc/23/33/63/1377233363.db2.gz IURHVZXSMUAWCC-UONOGXRCSA-N 1 2 349.302 3.257 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)cs2)C1 ZINC001266222124 1377233455 /nfs/dbraw/zinc/23/34/55/1377233455.db2.gz OEFOCMBDSBUHQI-MRXNPFEDSA-N 1 2 333.501 3.301 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)cs2)C1 ZINC001266222124 1377233474 /nfs/dbraw/zinc/23/34/74/1377233474.db2.gz OEFOCMBDSBUHQI-MRXNPFEDSA-N 1 2 333.501 3.301 10 30 EGEELO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC001266307428 1377267258 /nfs/dbraw/zinc/26/72/58/1377267258.db2.gz DKXUOWKZZWWMOY-OAHLLOKOSA-N 1 2 345.468 3.368 10 30 EGEELO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(-c3ccsc3)oc2C)C1 ZINC001266307428 1377267259 /nfs/dbraw/zinc/26/72/59/1377267259.db2.gz DKXUOWKZZWWMOY-OAHLLOKOSA-N 1 2 345.468 3.368 10 30 EGEELO 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C#CCC1(C(=O)N(C)CCC[N@@H+](C)Cc2nccs2)CCCCC1 ZINC001733781924 1430048073 /nfs/dbraw/zinc/04/80/73/1430048073.db2.gz WGJZZKQCMTUPNU-UHFFFAOYSA-N 1 2 347.528 3.397 10 30 EGEELO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC2(C[NH+](Cc3ccccc3)C2)O1 ZINC001733791751 1430059844 /nfs/dbraw/zinc/05/98/44/1430059844.db2.gz UYOABEIHLKNODD-PKOBYXMFSA-N 1 2 342.483 3.139 10 30 EGEELO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2csc(CCC)n2)[C@H](C)C1 ZINC001733894410 1437711836 /nfs/dbraw/zinc/71/18/36/1437711836.db2.gz NTTBQUNDHHMCAO-CVEARBPZSA-N 1 2 347.528 3.368 10 30 EGEELO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2csc(CCC)n2)[C@H](C)C1 ZINC001733894410 1437711837 /nfs/dbraw/zinc/71/18/37/1437711837.db2.gz NTTBQUNDHHMCAO-CVEARBPZSA-N 1 2 347.528 3.368 10 30 EGEELO CC(C)c1cnc(C[N@@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)C[C@H]2C)o1 ZINC001733894994 1437712567 /nfs/dbraw/zinc/71/25/67/1437712567.db2.gz QTQGGRVIWNRPDU-CVEARBPZSA-N 1 2 345.487 3.317 10 30 EGEELO CC(C)c1cnc(C[N@H+]2CC[C@H](NC(=O)C#CC(C)(C)C)C[C@H]2C)o1 ZINC001733894994 1437712570 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331.435 3.070 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(CC)o2)CC1(C)C ZINC001734146001 1437914153 /nfs/dbraw/zinc/91/41/53/1437914153.db2.gz NEYDHRUJKFQEMQ-OAHLLOKOSA-N 1 2 333.476 3.166 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ncc(CC)o2)CC1(C)C ZINC001734146001 1437914154 /nfs/dbraw/zinc/91/41/54/1437914154.db2.gz NEYDHRUJKFQEMQ-OAHLLOKOSA-N 1 2 333.476 3.166 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)[C@@H]1C ZINC001734465180 1438121429 /nfs/dbraw/zinc/12/14/29/1438121429.db2.gz ZQBDNWYDIMILFY-PBHICJAKSA-N 1 2 333.451 3.292 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@@H]1C ZINC001734465180 1438121432 /nfs/dbraw/zinc/12/14/32/1438121432.db2.gz ZQBDNWYDIMILFY-PBHICJAKSA-N 1 2 333.451 3.292 10 30 EGEELO C=C[C@H](CC)CC(=O)NCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001734630151 1438192888 /nfs/dbraw/zinc/19/28/88/1438192888.db2.gz NFKRNHLVVCQXMM-OAHLLOKOSA-N 1 2 333.501 3.302 10 30 EGEELO C=C[C@H](CC)CC(=O)NCC1=CC[N@@H+](Cc2csc(C)n2)CC1 ZINC001734630151 1438192889 /nfs/dbraw/zinc/19/28/89/1438192889.db2.gz NFKRNHLVVCQXMM-OAHLLOKOSA-N 1 2 333.501 3.302 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001738149343 1439009671 /nfs/dbraw/zinc/00/96/71/1439009671.db2.gz SDTUYFIAWZIUMK-MRXNPFEDSA-N 1 2 345.487 3.234 10 30 EGEELO C=C(C)C(C)(C)C(=O)NC/C=C\CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001738553302 1439137295 /nfs/dbraw/zinc/13/72/95/1439137295.db2.gz POOLNIIEUGBSGQ-HJWRWDBZSA-N 1 2 343.471 3.011 10 30 EGEELO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC2(CCC)CC2)CC1 ZINC001740690061 1439496769 /nfs/dbraw/zinc/49/67/69/1439496769.db2.gz MZIZWDGYCSCJOE-KRWDZBQOSA-N 1 2 343.519 3.127 10 30 EGEELO C=C[C@H](CC)CC(=O)NC/C=C/CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001747314290 1439986152 /nfs/dbraw/zinc/98/61/52/1439986152.db2.gz XTWADQCJNJIAPM-KBOKABMXSA-N 1 2 343.471 3.011 10 30 EGEELO C=C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2nccs2)[C@@H]1C)c1ccccc1 ZINC001750930554 1440112659 /nfs/dbraw/zinc/11/26/59/1440112659.db2.gz JEDAZUMGOYZKDN-OIISXLGYSA-N 1 2 341.480 3.192 10 30 EGEELO C=C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2nccs2)[C@@H]1C)c1ccccc1 ZINC001750930554 1440112660 /nfs/dbraw/zinc/11/26/60/1440112660.db2.gz JEDAZUMGOYZKDN-OIISXLGYSA-N 1 2 341.480 3.192 10 30 EGEELO Cn1cc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000191782724 239295429 /nfs/dbraw/zinc/29/54/29/239295429.db2.gz IBLYERSUNIHOOO-MRXNPFEDSA-N 1 2 345.244 3.391 10 30 EGEELO Cn1cc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000191782724 239295436 /nfs/dbraw/zinc/29/54/36/239295436.db2.gz IBLYERSUNIHOOO-MRXNPFEDSA-N 1 2 345.244 3.391 10 30 EGEELO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264090555 246055405 /nfs/dbraw/zinc/05/54/05/246055405.db2.gz GLRLBJDAPDDQMQ-ZDUSSCGKSA-N 1 2 338.411 3.423 10 30 EGEELO N#Cc1ccc(OCC[NH2+]C2(c3noc(C4CC4)n3)CCCC2)cc1 ZINC000173706785 144046876 /nfs/dbraw/zinc/04/68/76/144046876.db2.gz GIGZAAJGYKLCOO-UHFFFAOYSA-N 1 2 338.411 3.257 10 30 EGEELO N#Cc1cccnc1-n1cc(N[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cn1 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334.410 3.093 10 30 EGEELO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)OC1CCCCCC1 ZINC001731832744 1428044388 /nfs/dbraw/zinc/04/43/88/1428044388.db2.gz CXYDVBXNHGSZGS-JKSUJKDBSA-N 1 2 342.911 3.447 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)OC1CCCCCC1 ZINC001731832744 1428044394 /nfs/dbraw/zinc/04/43/94/1428044394.db2.gz CXYDVBXNHGSZGS-JKSUJKDBSA-N 1 2 342.911 3.447 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001731836397 1428052661 /nfs/dbraw/zinc/05/26/61/1428052661.db2.gz SFWVZCFLEUAAND-CRAIPNDOSA-N 1 2 335.879 3.418 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001731836397 1428052663 /nfs/dbraw/zinc/05/26/63/1428052663.db2.gz SFWVZCFLEUAAND-CRAIPNDOSA-N 1 2 335.879 3.418 10 30 EGEELO C=C(Cl)C[N@H+]1CCC[C@](CO)(NC(=O)CCCC2CCCC2)C1 ZINC001733591086 1429789755 /nfs/dbraw/zinc/78/97/55/1429789755.db2.gz DSTPSMHJVUEMOR-SFHVURJKSA-N 1 2 342.911 3.043 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC[C@](CO)(NC(=O)CCCC2CCCC2)C1 ZINC001733591086 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WBAVRBAMLDGSFR-BLCJYSFRSA-N 1 2 343.446 3.380 10 30 EGEELO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(CCC)no2)CC1(C)C ZINC001733874526 1437700463 /nfs/dbraw/zinc/70/04/63/1437700463.db2.gz BWQMPMJXYLTWTE-OAHLLOKOSA-N 1 2 348.491 3.095 10 30 EGEELO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(CCC)no2)CC1(C)C ZINC001733874526 1437700464 /nfs/dbraw/zinc/70/04/64/1437700464.db2.gz BWQMPMJXYLTWTE-OAHLLOKOSA-N 1 2 348.491 3.095 10 30 EGEELO C#CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@H](C)C1 ZINC001733904054 1437722833 /nfs/dbraw/zinc/72/28/33/1437722833.db2.gz ZZONVRJRKYFPFM-WBVHZDCISA-N 1 2 331.460 3.036 10 30 EGEELO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@H](C)C1 ZINC001733904054 1437722835 /nfs/dbraw/zinc/72/28/35/1437722835.db2.gz ZZONVRJRKYFPFM-WBVHZDCISA-N 1 2 331.460 3.036 10 30 EGEELO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)CCCCCCCC)C2)C1 ZINC001734139759 1437909586 /nfs/dbraw/zinc/90/95/86/1437909586.db2.gz IBQOJVZIKLQZIN-FPOVZHCZSA-N 1 2 348.531 3.310 10 30 EGEELO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)CCCCCCCC)C2)C1 ZINC001734139759 1437909587 /nfs/dbraw/zinc/90/95/87/1437909587.db2.gz IBQOJVZIKLQZIN-FPOVZHCZSA-N 1 2 348.531 3.310 10 30 EGEELO C=C(C)CCC(=O)N1CCC([N@H+](C)Cc2nnc(C3CC3)s2)CC1 ZINC001734269314 1437992100 /nfs/dbraw/zinc/99/21/00/1437992100.db2.gz QHKSHDYKQVGQLS-UHFFFAOYSA-N 1 2 348.516 3.195 10 30 EGEELO C=C(C)CCC(=O)N1CCC([N@@H+](C)Cc2nnc(C3CC3)s2)CC1 ZINC001734269314 1437992102 /nfs/dbraw/zinc/99/21/02/1437992102.db2.gz QHKSHDYKQVGQLS-UHFFFAOYSA-N 1 2 348.516 3.195 10 30 EGEELO C=CCC1(C(=O)N(C)C[C@H](C)[NH2+][C@H](C)c2nnc(CC)o2)CCCC1 ZINC001734356226 1438073790 /nfs/dbraw/zinc/07/37/90/1438073790.db2.gz AEZXXMCPDVCVAA-LSDHHAIUSA-N 1 2 348.491 3.266 10 30 EGEELO C=C(Cl)C[N@H+]1CC=C(CNC(=O)Cc2cc(C)ccc2OC)CC1 ZINC001734625914 1438190871 /nfs/dbraw/zinc/19/08/71/1438190871.db2.gz UUIPASPOYSHPHV-UHFFFAOYSA-N 1 2 348.874 3.047 10 30 EGEELO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)Cc2cc(C)ccc2OC)CC1 ZINC001734625914 1438190873 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Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)nc2)c(C#N)c1C ZINC000080910636 217340187 /nfs/dbraw/zinc/34/01/87/217340187.db2.gz OASZSJRGFIAEHS-NSHDSACASA-N 1 2 346.818 3.276 10 30 EGEELO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093078381 218191812 /nfs/dbraw/zinc/19/18/12/218191812.db2.gz BHVJMVDMQGPKEV-CYBMUJFWSA-N 1 2 331.366 3.308 10 30 EGEELO Cc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000267579460 251166893 /nfs/dbraw/zinc/16/68/93/251166893.db2.gz FYKXXUGFYCTLRC-HUUCEWRRSA-N 1 2 341.436 3.464 10 30 EGEELO Cc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000267579460 251166897 /nfs/dbraw/zinc/16/68/97/251166897.db2.gz FYKXXUGFYCTLRC-HUUCEWRRSA-N 1 2 341.436 3.464 10 30 EGEELO COc1cc(OC)c2ncc(C#N)c(Nc3ccc(N(C)C)[nH+]c3)c2c1 ZINC000341428070 155286120 /nfs/dbraw/zinc/28/61/20/155286120.db2.gz ILSBCICLNXQZNZ-UHFFFAOYSA-N 1 2 349.394 3.328 10 30 EGEELO N#Cc1ccc(C[S@@](=O)Cc2cn3cc(Cl)ccc3[nH+]2)cc1F ZINC000190816899 153161875 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Cn1nccc1C1=CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000552006100 315187297 /nfs/dbraw/zinc/18/72/97/315187297.db2.gz PRIHEQVZCIVFEJ-UHFFFAOYSA-N 1 2 344.365 3.182 10 30 EGEELO CC[N@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(C#N)cc1F ZINC000012683012 453390423 /nfs/dbraw/zinc/39/04/23/453390423.db2.gz DILVXQHPZZNLLI-UHFFFAOYSA-N 1 2 341.386 3.167 10 30 EGEELO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(C#N)cc1F ZINC000012683012 453390433 /nfs/dbraw/zinc/39/04/33/453390433.db2.gz DILVXQHPZZNLLI-UHFFFAOYSA-N 1 2 341.386 3.167 10 30 EGEELO C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000058440954 454204607 /nfs/dbraw/zinc/20/46/07/454204607.db2.gz ZTELLUAEIGPDHR-AWEZNQCLSA-N 1 2 332.363 3.150 10 30 EGEELO C/N=C1\S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C(=O)N1C ZINC000095801800 454231875 /nfs/dbraw/zinc/23/18/75/454231875.db2.gz YWPMJNTXXLSVGH-CEVXTBJXSA-N 1 2 340.452 3.075 10 30 EGEELO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)n1 ZINC000071905313 454251525 /nfs/dbraw/zinc/25/15/25/454251525.db2.gz WDDKWRUPAUZWJX-KRWDZBQOSA-N 1 2 338.386 3.004 10 30 EGEELO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)n1 ZINC000071905313 454251530 /nfs/dbraw/zinc/25/15/30/454251530.db2.gz WDDKWRUPAUZWJX-KRWDZBQOSA-N 1 2 338.386 3.004 10 30 EGEELO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125348971 454816018 /nfs/dbraw/zinc/81/60/18/454816018.db2.gz BZERYRXXCXPUCY-QGZVFWFLSA-N 1 2 341.436 3.022 10 30 EGEELO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125348971 454816022 /nfs/dbraw/zinc/81/60/22/454816022.db2.gz BZERYRXXCXPUCY-QGZVFWFLSA-N 1 2 341.436 3.022 10 30 EGEELO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000177730942 454896977 /nfs/dbraw/zinc/89/69/77/454896977.db2.gz GKVMNSHOCZXCNE-HXUWFJFHSA-N 1 2 335.382 3.270 10 30 EGEELO N#Cc1ccc([C@H](O)C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000177730942 454896979 /nfs/dbraw/zinc/89/69/79/454896979.db2.gz GKVMNSHOCZXCNE-HXUWFJFHSA-N 1 2 335.382 3.270 10 30 EGEELO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000170886358 454994562 /nfs/dbraw/zinc/99/45/62/454994562.db2.gz TWFUTTOLDRLHNX-OAHLLOKOSA-N 1 2 348.878 3.422 10 30 EGEELO C=C(C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000156379131 455111575 /nfs/dbraw/zinc/11/15/75/455111575.db2.gz NBNXXWNTKXITBH-HUUCEWRRSA-N 1 2 325.815 3.100 10 30 EGEELO C=C(C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000156379131 455111578 /nfs/dbraw/zinc/11/15/78/455111578.db2.gz NBNXXWNTKXITBH-HUUCEWRRSA-N 1 2 325.815 3.100 10 30 EGEELO N#Cc1ccc2[nH+]cc(CNc3cccc(Oc4cnccn4)c3)n2c1 ZINC000156432996 455117646 /nfs/dbraw/zinc/11/76/46/455117646.db2.gz RYKMVZOBUXLWIR-UHFFFAOYSA-N 1 2 342.362 3.400 10 30 EGEELO C=C[C@@H](CC(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000129878414 455131054 /nfs/dbraw/zinc/13/10/54/455131054.db2.gz KDKJHIWEQNKCQJ-INIZCTEOSA-N 1 2 332.407 3.243 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000189285136 455169567 /nfs/dbraw/zinc/16/95/67/455169567.db2.gz STYXIEWSBBTLLR-HOCLYGCPSA-N 1 2 334.485 3.260 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000189285136 455169570 /nfs/dbraw/zinc/16/95/70/455169570.db2.gz STYXIEWSBBTLLR-HOCLYGCPSA-N 1 2 334.485 3.260 10 30 EGEELO Cc1ccc(C#N)cc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184096269 455353091 /nfs/dbraw/zinc/35/30/91/455353091.db2.gz XVGSDOJDEOEREF-UHFFFAOYSA-N 1 2 335.411 3.006 10 30 EGEELO C=CCC(CC=C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246135143 455434095 /nfs/dbraw/zinc/43/40/95/455434095.db2.gz VVTFYYUWHZMALK-DOTOQJQBSA-N 1 2 348.512 3.395 10 30 EGEELO C=CCC(CC=C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246135143 455434099 /nfs/dbraw/zinc/43/40/99/455434099.db2.gz VVTFYYUWHZMALK-DOTOQJQBSA-N 1 2 348.512 3.395 10 30 EGEELO C=C(C)C[C@H](C)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000185325880 455540695 /nfs/dbraw/zinc/54/06/95/455540695.db2.gz BLRXHISNTYABAQ-PKOBYXMFSA-N 1 2 330.472 3.087 10 30 EGEELO CCC1(CC)C[N@H+](Cc2cccc(OCCCC#N)c2)CC[S@]1=O ZINC000187554506 455925203 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CCCCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1OC ZINC000352830979 456345728 /nfs/dbraw/zinc/34/57/28/456345728.db2.gz BMJATQOVVMKDCH-UHFFFAOYSA-N 1 2 331.441 3.492 10 30 EGEELO N#CCCCOc1ccc[nH+]c1NCc1cnnn1Cc1ccccc1 ZINC000291882994 456786115 /nfs/dbraw/zinc/78/61/15/456786115.db2.gz ISOGRXBKPJQJQQ-UHFFFAOYSA-N 1 2 348.410 3.016 10 30 EGEELO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1c1cccc(F)c1 ZINC000329722887 456931576 /nfs/dbraw/zinc/93/15/76/456931576.db2.gz NNQHKRAEIQIDAN-DWQUBVKVSA-N 1 2 342.418 3.403 10 30 EGEELO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1c1cccc(F)c1 ZINC000329722887 456931581 /nfs/dbraw/zinc/93/15/81/456931581.db2.gz NNQHKRAEIQIDAN-DWQUBVKVSA-N 1 2 342.418 3.403 10 30 EGEELO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000345767305 456992713 /nfs/dbraw/zinc/99/27/13/456992713.db2.gz DPFURAYHVRIVEG-YJBOKZPZSA-N 1 2 325.412 3.221 10 30 EGEELO C=C(C)C[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000351059324 457216236 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EGEELO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001731833770 1428046983 /nfs/dbraw/zinc/04/69/83/1428046983.db2.gz QQLQFCJTUVIJJW-KRWDZBQOSA-N 1 2 344.886 3.484 10 30 EGEELO CCC[C@@H](C)C(=O)NCC[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001731875151 1428137819 /nfs/dbraw/zinc/13/78/19/1428137819.db2.gz SWJDWZLLDMOGSP-CQSZACIVSA-N 1 2 331.435 3.214 10 30 EGEELO CCC[C@@H](C)C(=O)NCC[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC001731875151 1428137822 /nfs/dbraw/zinc/13/78/22/1428137822.db2.gz SWJDWZLLDMOGSP-CQSZACIVSA-N 1 2 331.435 3.214 10 30 EGEELO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc(C(C)C)o1 ZINC001733601242 1429805193 /nfs/dbraw/zinc/80/51/93/1429805193.db2.gz ZRXQDNWZZVMFJF-HZPDHXFCSA-N 1 2 331.460 3.330 10 30 EGEELO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc(C(C)C)o1 ZINC001733601242 1429805196 /nfs/dbraw/zinc/80/51/96/1429805196.db2.gz ZRXQDNWZZVMFJF-HZPDHXFCSA-N 1 2 331.460 3.330 10 30 EGEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1csc2c1CCCC2 ZINC001733707982 1429921871 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ZINC001734465189 1438121294 /nfs/dbraw/zinc/12/12/94/1438121294.db2.gz ZQBDNWYDIMILFY-YOEHRIQHSA-N 1 2 333.451 3.292 10 30 EGEELO CC(C)N(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C(C)(F)F ZINC001734546868 1438142873 /nfs/dbraw/zinc/14/28/73/1438142873.db2.gz OJFYTJJAIAGJIY-UHFFFAOYSA-N 1 2 341.377 3.021 10 30 EGEELO CC(C)N(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C(C)(F)F ZINC001734546868 1438142876 /nfs/dbraw/zinc/14/28/76/1438142876.db2.gz OJFYTJJAIAGJIY-UHFFFAOYSA-N 1 2 341.377 3.021 10 30 EGEELO C=C[C@@H](CC)CC(=O)NC/C=C/CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001747314288 1439986125 /nfs/dbraw/zinc/98/61/25/1439986125.db2.gz XTWADQCJNJIAPM-IJDCCNJMSA-N 1 2 343.471 3.011 10 30 EGEELO C=C1CCN(c2nnc(CC)n2Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001760391059 1441368232 /nfs/dbraw/zinc/36/82/32/1441368232.db2.gz RNQVAXBUVJXMJR-UHFFFAOYSA-N 1 2 348.454 3.231 10 30 EGEELO CC[NH+](CC)CC/C(=N\O)C(O)(c1ccccc1)c1ccccc1 ZINC000103151668 219263095 /nfs/dbraw/zinc/26/30/95/219263095.db2.gz OVVRYTXYUBRVRW-XUTLUUPISA-N 1 2 326.440 3.485 10 30 EGEELO C=C(C)Cn1c(CCCCCNC(=O)COC)[nH+]c2ccccc21 ZINC000040211392 213281336 /nfs/dbraw/zinc/28/13/36/213281336.db2.gz CMYAZVQKLRDLHD-UHFFFAOYSA-N 1 2 329.444 3.088 10 30 EGEELO N#Cc1ccccc1Cn1c2ccccc2[nH+]c1N1CCCC[C@@H]1CO ZINC000095078505 218274020 /nfs/dbraw/zinc/27/40/20/218274020.db2.gz FAZUMYQPHNWOIB-GOSISDBHSA-N 1 2 346.434 3.307 10 30 EGEELO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000267579463 251167311 /nfs/dbraw/zinc/16/73/11/251167311.db2.gz FYKXXUGFYCTLRC-LSDHHAIUSA-N 1 2 341.436 3.464 10 30 EGEELO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCN(c3sccc3C#N)C2=O)o1 ZINC000267579463 251167315 /nfs/dbraw/zinc/16/73/15/251167315.db2.gz FYKXXUGFYCTLRC-LSDHHAIUSA-N 1 2 341.436 3.464 10 30 EGEELO CC[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1c(C)noc1C ZINC000328586467 258046662 /nfs/dbraw/zinc/04/66/62/258046662.db2.gz NNDNUNKFSQNTPH-CQSZACIVSA-N 1 2 331.420 3.259 10 30 EGEELO CC[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1c(C)noc1C ZINC000328586467 258046664 /nfs/dbraw/zinc/04/66/64/258046664.db2.gz NNDNUNKFSQNTPH-CQSZACIVSA-N 1 2 331.420 3.259 10 30 EGEELO COc1ccc(CC2CC[NH+](Cc3nc(C#N)cs3)CC2)cc1 ZINC000356232777 141324749 /nfs/dbraw/zinc/32/47/49/141324749.db2.gz ARXXUGPTMMVCPB-UHFFFAOYSA-N 1 2 327.453 3.478 10 30 EGEELO N#Cc1ccccc1OCC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000173712156 144046958 /nfs/dbraw/zinc/04/69/58/144046958.db2.gz XYFXVAVWGCHOQC-UHFFFAOYSA-N 1 2 338.411 3.257 10 30 EGEELO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000187409486 144158409 /nfs/dbraw/zinc/15/84/09/144158409.db2.gz CCVUCQIGIRNGMH-LBPRGKRZSA-N 1 2 348.855 3.466 10 30 EGEELO N#Cc1cc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)ccn1 ZINC000341525584 155335468 /nfs/dbraw/zinc/33/54/68/155335468.db2.gz NDDNEPSXLPHWTF-UHFFFAOYSA-N 1 2 330.794 3.068 10 30 EGEELO Cc1ccccc1CC(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118395862 152139701 /nfs/dbraw/zinc/13/97/01/152139701.db2.gz DDHVBFBWJRJOKF-SFHVURJKSA-N 1 2 347.462 3.315 10 30 EGEELO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2ccc(C#N)o2)cc1 ZINC000119978380 152241336 /nfs/dbraw/zinc/24/13/36/152241336.db2.gz OBOOIJOFTNDJCC-CQSZACIVSA-N 1 2 325.412 3.152 10 30 EGEELO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2ccc(C#N)o2)cc1 ZINC000119978380 152241338 /nfs/dbraw/zinc/24/13/38/152241338.db2.gz OBOOIJOFTNDJCC-CQSZACIVSA-N 1 2 325.412 3.152 10 30 EGEELO COc1cccc2c1[nH+]c(NCc1c(F)cc(C#N)cc1F)n2C ZINC000192757836 153258273 /nfs/dbraw/zinc/25/82/73/153258273.db2.gz KPFYYAARCMJIDV-UHFFFAOYSA-N 1 2 328.322 3.344 10 30 EGEELO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cscc2C#N)CC1 ZINC000339904359 155025728 /nfs/dbraw/zinc/02/57/28/155025728.db2.gz PGXPDUXNFOJHSN-CYBMUJFWSA-N 1 2 343.427 3.278 10 30 EGEELO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093480461 162013625 /nfs/dbraw/zinc/01/36/25/162013625.db2.gz OHIUIEAVOMVLPU-QGZVFWFLSA-N 1 2 339.395 3.071 10 30 EGEELO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000093480461 162013626 /nfs/dbraw/zinc/01/36/26/162013626.db2.gz OHIUIEAVOMVLPU-QGZVFWFLSA-N 1 2 339.395 3.071 10 30 EGEELO N#Cc1ccccc1C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000343954562 164072768 /nfs/dbraw/zinc/07/27/68/164072768.db2.gz BPIMSUGZNIDGSQ-UHFFFAOYSA-N 1 2 334.448 3.490 10 30 EGEELO N#Cc1ccc2[nH+]cc(CN3CCCC[C@H]3c3noc(C4CC4)n3)n2c1 ZINC000367423815 168223718 /nfs/dbraw/zinc/22/37/18/168223718.db2.gz XCZDYKUABUHBAV-INIZCTEOSA-N 1 2 348.410 3.194 10 30 EGEELO CN(C)c1ccc(Nc2nc3c(c(C#N)c2C#N)CCCCCC3)c[nH+]1 ZINC000479944267 267293089 /nfs/dbraw/zinc/29/30/89/267293089.db2.gz XRTYJXATCDDYAH-UHFFFAOYSA-N 1 2 346.438 3.110 10 30 EGEELO Cc1cc(NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(C#N)c(C)[nH+]1 ZINC000302517780 267348510 /nfs/dbraw/zinc/34/85/10/267348510.db2.gz HSRAXAITCNZGRE-SWLSCSKDSA-N 1 2 327.350 3.466 10 30 EGEELO Cc1ccc([C@@H](CNc2ccc(C)c(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000302602290 267439435 /nfs/dbraw/zinc/43/94/35/267439435.db2.gz CKDUPIOWMNXNAV-LJQANCHMSA-N 1 2 336.439 3.056 10 30 EGEELO C[C@@H](c1cccc(NC(=O)Cc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000531151686 267731191 /nfs/dbraw/zinc/73/11/91/267731191.db2.gz CFMRGVADWKRKQL-INIZCTEOSA-N 1 2 349.434 3.133 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000439456601 268220758 /nfs/dbraw/zinc/22/07/58/268220758.db2.gz YZWAVRUJVJZQSX-SFHVURJKSA-N 1 2 339.826 3.275 10 30 EGEELO N#Cc1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000439456601 268220759 /nfs/dbraw/zinc/22/07/59/268220759.db2.gz YZWAVRUJVJZQSX-SFHVURJKSA-N 1 2 339.826 3.275 10 30 EGEELO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(F)(c3ccccc3)CC2)cc1 ZINC000434495651 268263619 /nfs/dbraw/zinc/26/36/19/268263619.db2.gz XWNKVWUAXAGWSR-GOSISDBHSA-N 1 2 337.398 3.045 10 30 EGEELO N#Cc1ccc(CC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000570810714 317111884 /nfs/dbraw/zinc/11/18/84/317111884.db2.gz XNVCGGAVEWOGSR-IYARVYRRSA-N 1 2 334.423 3.035 10 30 EGEELO N#Cc1cscc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000573228921 317455911 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COc1ccccc1CNC(=O)C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000329447902 456891972 /nfs/dbraw/zinc/89/19/72/456891972.db2.gz OEYCCZQFUCJPJY-IBGZPJMESA-N 1 2 346.471 3.433 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CCCN1c1nccs1)CCC2 ZINC000330060765 456979903 /nfs/dbraw/zinc/97/99/03/456979903.db2.gz NEWHVGZVLWTOLA-KBPBESRZSA-N 1 2 345.472 3.151 10 30 EGEELO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc(C(F)F)c1Cl ZINC000330864377 457096839 /nfs/dbraw/zinc/09/68/39/457096839.db2.gz UHOOWTFFAGSWQO-JTQLQIEISA-N 1 2 347.793 3.324 10 30 EGEELO N#Cc1csc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000356306995 457564415 /nfs/dbraw/zinc/56/44/15/457564415.db2.gz SEJPNFMDTILVKY-UHFFFAOYSA-N 1 2 342.399 3.069 10 30 EGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NCCC(C)C ZINC000411198505 457827735 /nfs/dbraw/zinc/82/77/35/457827735.db2.gz XYLYTURMTTZNDD-HNNXBMFYSA-N 1 2 333.432 3.134 10 30 EGEELO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NCCC(C)C ZINC000411198505 457827743 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C=CCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000661014269 462063276 /nfs/dbraw/zinc/06/32/76/462063276.db2.gz ZCXFVJJBUYTOOS-GOEBONIOSA-N 1 2 341.377 3.115 10 30 EGEELO C=CCCNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000661014269 462063278 /nfs/dbraw/zinc/06/32/78/462063278.db2.gz ZCXFVJJBUYTOOS-GOEBONIOSA-N 1 2 341.377 3.115 10 30 EGEELO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000640176003 462295203 /nfs/dbraw/zinc/29/52/03/462295203.db2.gz JRLPDDJJLGVHKN-SJORKVTESA-N 1 2 340.427 3.156 10 30 EGEELO CC1(C)C[N@H+](CC(=O)Nc2sccc2C#N)CC[C@H]1C(F)(F)F ZINC000190212001 529114177 /nfs/dbraw/zinc/11/41/77/529114177.db2.gz KGEUKNBOADWXEM-LLVKDONJSA-N 1 2 345.390 3.469 10 30 EGEELO CC1(C)C[N@@H+](CC(=O)Nc2sccc2C#N)CC[C@H]1C(F)(F)F ZINC000190212001 529114181 /nfs/dbraw/zinc/11/41/81/529114181.db2.gz KGEUKNBOADWXEM-LLVKDONJSA-N 1 2 345.390 3.469 10 30 EGEELO C/C(=C/C(=O)C(F)(F)F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000006904135 1291055139 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YONZYTGYPXOKAY-PXNSSMCTSA-N 1 2 348.462 3.053 10 30 EGEELO CC[C@@H]1CCC[C@]1(C)C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001716716119 1420872993 /nfs/dbraw/zinc/87/29/93/1420872993.db2.gz XURKIZWTYVKXET-XLIONFOSSA-N 1 2 331.504 3.429 10 30 EGEELO CC[C@@H]1CCC[C@]1(C)C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001716716119 1420872997 /nfs/dbraw/zinc/87/29/97/1420872997.db2.gz XURKIZWTYVKXET-XLIONFOSSA-N 1 2 331.504 3.429 10 30 EGEELO C#CCN(C(=O)C[C@H](C)CCC)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001716803852 1420934107 /nfs/dbraw/zinc/93/41/07/1420934107.db2.gz OLYJYOMKWXCXIM-MRXNPFEDSA-N 1 2 345.487 3.236 10 30 EGEELO CC[C@H](C)CC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001716839252 1420966158 /nfs/dbraw/zinc/96/61/58/1420966158.db2.gz XWBBUJHFBKCNJT-LIRRHRJNSA-N 1 2 331.435 3.214 10 30 EGEELO CC[C@H](C)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001716839252 1420966160 /nfs/dbraw/zinc/96/61/60/1420966160.db2.gz XWBBUJHFBKCNJT-LIRRHRJNSA-N 1 2 331.435 3.214 10 30 EGEELO C=C(C)CCC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)c2nc(CCCC)no2)C1 ZINC001716842007 1420967841 /nfs/dbraw/zinc/96/78/41/1420967841.db2.gz CSEOCCRUTMHIEQ-HNAYVOBHSA-N 1 2 348.491 3.410 10 30 EGEELO C=C(C)CCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)c2nc(CCCC)no2)C1 ZINC001716842007 1420967843 /nfs/dbraw/zinc/96/78/43/1420967843.db2.gz CSEOCCRUTMHIEQ-HNAYVOBHSA-N 1 2 348.491 3.410 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001716912055 1421040098 /nfs/dbraw/zinc/04/00/98/1421040098.db2.gz FVXDBLGWSFKEDR-BXUZGUMPSA-N 1 2 334.838 3.249 10 30 EGEELO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001716912055 1421040100 /nfs/dbraw/zinc/04/01/00/1421040100.db2.gz FVXDBLGWSFKEDR-BXUZGUMPSA-N 1 2 334.838 3.249 10 30 EGEELO C=CCC1(C(=O)NC[C@H]2COCC[N@@H+]2CC2=CCCCC2)CCC1 ZINC001717138769 1421133791 /nfs/dbraw/zinc/13/37/91/1421133791.db2.gz KOJFMLJPHGBVAQ-SFHVURJKSA-N 1 2 332.488 3.050 10 30 EGEELO C=CCC1(C(=O)NC[C@H]2COCC[N@H+]2CC2=CCCCC2)CCC1 ZINC001717138769 1421133792 /nfs/dbraw/zinc/13/37/92/1421133792.db2.gz KOJFMLJPHGBVAQ-SFHVURJKSA-N 1 2 332.488 3.050 10 30 EGEELO C=CCC(C)(C)C(=O)NC[C@H]1COCC[N@@H+]1CCCc1ccccc1 ZINC001717141652 1421134777 /nfs/dbraw/zinc/13/47/77/1421134777.db2.gz SWXKXPUSGLZQCN-IBGZPJMESA-N 1 2 344.499 3.039 10 30 EGEELO C=CCC(C)(C)C(=O)NC[C@H]1COCC[N@H+]1CCCc1ccccc1 ZINC001717141652 1421134778 /nfs/dbraw/zinc/13/47/78/1421134778.db2.gz SWXKXPUSGLZQCN-IBGZPJMESA-N 1 2 344.499 3.039 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1nnc(C)s1 ZINC001717209516 1421181952 /nfs/dbraw/zinc/18/19/52/1421181952.db2.gz ALLGWFLHTCGZDZ-CYBMUJFWSA-N 1 2 338.521 3.290 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)CCC[N@H+](C)[C@H](C)c1nnc(C)s1 ZINC001717209516 1421181953 /nfs/dbraw/zinc/18/19/53/1421181953.db2.gz ALLGWFLHTCGZDZ-CYBMUJFWSA-N 1 2 338.521 3.290 10 30 EGEELO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@H](C)c1ccccc1C)O2 ZINC001717226279 1421199806 /nfs/dbraw/zinc/19/98/06/1421199806.db2.gz YIYBCBCHBOVINV-ZWKOTPCHSA-N 1 2 342.483 3.024 10 30 EGEELO C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001717244069 1421213129 /nfs/dbraw/zinc/21/31/29/1421213129.db2.gz PUAMRWMOFJDXHK-CABCVRRESA-N 1 2 344.352 3.006 10 30 EGEELO C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001717244069 1421213136 /nfs/dbraw/zinc/21/31/36/1421213136.db2.gz PUAMRWMOFJDXHK-CABCVRRESA-N 1 2 344.352 3.006 10 30 EGEELO CC(C)C#CC(=O)N1CCC[C@]2(CC[N@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001717246357 1421216785 /nfs/dbraw/zinc/21/67/85/1421216785.db2.gz KXFJSKHXTBLCBB-IUYQLWOBSA-N 1 2 343.298 3.279 10 30 EGEELO CC(C)C#CC(=O)N1CCC[C@]2(CC[N@@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001717246357 1421216787 /nfs/dbraw/zinc/21/67/87/1421216787.db2.gz KXFJSKHXTBLCBB-IUYQLWOBSA-N 1 2 343.298 3.279 10 30 EGEELO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C3CCCC3)no2)[C@H](C)C1 ZINC001717328826 1421263586 /nfs/dbraw/zinc/26/35/86/1421263586.db2.gz CLLMTMRFJQBFBF-ZBFHGGJFSA-N 1 2 346.475 3.163 10 30 EGEELO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C3CCCC3)no2)[C@H](C)C1 ZINC001717328826 1421263589 /nfs/dbraw/zinc/26/35/89/1421263589.db2.gz CLLMTMRFJQBFBF-ZBFHGGJFSA-N 1 2 346.475 3.163 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2(CCF)CC2)C[C@@H]1C ZINC001717333433 1421269438 /nfs/dbraw/zinc/26/94/38/1421269438.db2.gz HKXKFDBGPBWORF-QWHCGFSZSA-N 1 2 347.272 3.004 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2(CCF)CC2)C[C@@H]1C ZINC001717333433 1421269440 /nfs/dbraw/zinc/26/94/40/1421269440.db2.gz HKXKFDBGPBWORF-QWHCGFSZSA-N 1 2 347.272 3.004 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3nccc(C)n3)[C@H](C)C2)CCC1 ZINC001717338326 1421275831 /nfs/dbraw/zinc/27/58/31/1421275831.db2.gz SUNDTGLDPMDTDW-SJORKVTESA-N 1 2 342.487 3.001 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3nccc(C)n3)[C@H](C)C2)CCC1 ZINC001717338326 1421275835 /nfs/dbraw/zinc/27/58/35/1421275835.db2.gz SUNDTGLDPMDTDW-SJORKVTESA-N 1 2 342.487 3.001 10 30 EGEELO C=CCCCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC001717371915 1421310772 /nfs/dbraw/zinc/31/07/72/1421310772.db2.gz YHPRJRKEWHODKB-SFHVURJKSA-N 1 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ZINC001717830674 1421643046 /nfs/dbraw/zinc/64/30/46/1421643046.db2.gz APEFIPKNYVDWSU-KDOFPFPSSA-N 1 2 348.516 3.241 10 30 EGEELO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccncc2Cl)[C@H]1C ZINC001717853301 1421665233 /nfs/dbraw/zinc/66/52/33/1421665233.db2.gz WNXHUHYFUFVIHD-MAUKXSAKSA-N 1 2 347.890 3.398 10 30 EGEELO C#CCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)[C@H]1C ZINC001717853301 1421665235 /nfs/dbraw/zinc/66/52/35/1421665235.db2.gz WNXHUHYFUFVIHD-MAUKXSAKSA-N 1 2 347.890 3.398 10 30 EGEELO C=CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(-c3ccco3)on2)[C@H]1C ZINC001717864332 1421677228 /nfs/dbraw/zinc/67/72/28/1421677228.db2.gz WJNPUFRVIQMWJE-GOEBONIOSA-N 1 2 343.427 3.370 10 30 EGEELO C=CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)[C@H]1C ZINC001717864332 1421677230 /nfs/dbraw/zinc/67/72/30/1421677230.db2.gz WJNPUFRVIQMWJE-GOEBONIOSA-N 1 2 343.427 3.370 10 30 EGEELO C=CCC(CC=C)C(=O)N1C[C@@H]([NH2+][C@H](C)c2nnc(C)o2)C(C)(C)C1 ZINC001717895167 1421693245 /nfs/dbraw/zinc/69/32/45/1421693245.db2.gz FVQZJNQPIYWSMZ-CZUORRHYSA-N 1 2 346.475 3.034 10 30 EGEELO CC(C)N(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C1CC=CC1 ZINC001717947978 1421714617 /nfs/dbraw/zinc/71/46/17/1421714617.db2.gz RNBCGCDNJGPMEG-UHFFFAOYSA-N 1 2 343.446 3.332 10 30 EGEELO CC(C)N(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C1CC=CC1 ZINC001717947978 1421714620 /nfs/dbraw/zinc/71/46/20/1421714620.db2.gz RNBCGCDNJGPMEG-UHFFFAOYSA-N 1 2 343.446 3.332 10 30 EGEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)C[C@H](C)n1ccc(C)n1)C(C)C ZINC001717949039 1421716523 /nfs/dbraw/zinc/71/65/23/1421716523.db2.gz JZPFBRZXIQVJSR-INIZCTEOSA-N 1 2 340.899 3.064 10 30 EGEELO C=C(Cl)C[N@H+](C)CCN(C(=O)C[C@H](C)n1ccc(C)n1)C(C)C ZINC001717949039 1421716524 /nfs/dbraw/zinc/71/65/24/1421716524.db2.gz JZPFBRZXIQVJSR-INIZCTEOSA-N 1 2 340.899 3.064 10 30 EGEELO C[C@]1(NC(=O)CC2CCCC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001733400274 1429594728 /nfs/dbraw/zinc/59/47/28/1429594728.db2.gz SJVPEELGJANDAH-FQEVSTJZSA-N 1 2 343.446 3.358 10 30 EGEELO C[C@]1(NC(=O)CC2CCCC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001733400274 1429594731 /nfs/dbraw/zinc/59/47/31/1429594731.db2.gz SJVPEELGJANDAH-FQEVSTJZSA-N 1 2 343.446 3.358 10 30 EGEELO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001722916103 1424251886 /nfs/dbraw/zinc/25/18/86/1424251886.db2.gz KMCFCQFHMYZQEM-RYUDHWBXSA-N 1 2 330.806 3.257 10 30 EGEELO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001722916103 1424251889 /nfs/dbraw/zinc/25/18/89/1424251889.db2.gz KMCFCQFHMYZQEM-RYUDHWBXSA-N 1 2 330.806 3.257 10 30 EGEELO C#CCCCC(=O)N(C)C1C[NH+](Cc2cccc(OCC(C)C)c2)C1 ZINC001723756633 1424559053 /nfs/dbraw/zinc/55/90/53/1424559053.db2.gz ILCQFTCLKPFZFX-UHFFFAOYSA-N 1 2 342.483 3.168 10 30 EGEELO C#CCCCCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2cscn2)C1 ZINC001724318254 1424802018 /nfs/dbraw/zinc/80/20/18/1424802018.db2.gz INEHOBBDAZLDCK-GOSISDBHSA-N 1 2 333.501 3.055 10 30 EGEELO C#CCCCCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2cscn2)C1 ZINC001724318254 1424802027 /nfs/dbraw/zinc/80/20/27/1424802027.db2.gz INEHOBBDAZLDCK-GOSISDBHSA-N 1 2 333.501 3.055 10 30 EGEELO C#CCCCC(=O)NC[C@@]1(C)CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC001724319404 1424803191 /nfs/dbraw/zinc/80/31/91/1424803191.db2.gz OUSNVKTWFURZQZ-HFQYIWAZSA-N 1 2 331.287 3.327 10 30 EGEELO C#CCCCC(=O)NC[C@@]1(C)CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC001724319404 1424803195 /nfs/dbraw/zinc/80/31/95/1424803195.db2.gz OUSNVKTWFURZQZ-HFQYIWAZSA-N 1 2 331.287 3.327 10 30 EGEELO C=C(Br)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](F)C(C)C)C1 ZINC001724329053 1424818108 /nfs/dbraw/zinc/81/81/08/1424818108.db2.gz CSDHWGCARIRKOC-DZGCQCFKSA-N 1 2 349.288 3.107 10 30 EGEELO C=C(Br)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](F)C(C)C)C1 ZINC001724329053 1424818114 /nfs/dbraw/zinc/81/81/14/1424818114.db2.gz CSDHWGCARIRKOC-DZGCQCFKSA-N 1 2 349.288 3.107 10 30 EGEELO C=CCC1(C(=O)N(C)CCC[N@H+](C)Cc2ncccn2)CCCCC1 ZINC001724861427 1425243492 /nfs/dbraw/zinc/24/34/92/1425243492.db2.gz VRTVBXJNRQXNDE-UHFFFAOYSA-N 1 2 344.503 3.284 10 30 EGEELO C=CCC1(C(=O)N(C)CCC[N@@H+](C)Cc2ncccn2)CCCCC1 ZINC001724861427 1425243495 /nfs/dbraw/zinc/24/34/95/1425243495.db2.gz VRTVBXJNRQXNDE-UHFFFAOYSA-N 1 2 344.503 3.284 10 30 EGEELO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C)c1ccccc1C ZINC001724896665 1425289176 /nfs/dbraw/zinc/28/91/76/1425289176.db2.gz OEFWOFMAZSBCEZ-GHTZIAJQSA-N 1 2 346.474 3.275 10 30 EGEELO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C)c1ccccc1C ZINC001724896665 1425289179 /nfs/dbraw/zinc/28/91/79/1425289179.db2.gz OEFWOFMAZSBCEZ-GHTZIAJQSA-N 1 2 346.474 3.275 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ncc(CC)o2)[C@H](C)C1 ZINC001724991201 1425392535 /nfs/dbraw/zinc/39/25/35/1425392535.db2.gz BULNVXBJDLAPKV-HUUCEWRRSA-N 1 2 333.476 3.308 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ncc(CC)o2)[C@H](C)C1 ZINC001724991201 1425392539 /nfs/dbraw/zinc/39/25/39/1425392539.db2.gz BULNVXBJDLAPKV-HUUCEWRRSA-N 1 2 333.476 3.308 10 30 EGEELO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CC1(C)C ZINC001725280474 1425914858 /nfs/dbraw/zinc/91/48/58/1425914858.db2.gz CXWTWGRRCQAMOT-MRXNPFEDSA-N 1 2 336.863 3.338 10 30 EGEELO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(O)ccc2Cl)CC1(C)C ZINC001725280474 1425914862 /nfs/dbraw/zinc/91/48/62/1425914862.db2.gz CXWTWGRRCQAMOT-MRXNPFEDSA-N 1 2 336.863 3.338 10 30 EGEELO C=C[C@H](CC)CC(=O)NCC1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC001725306594 1425954843 /nfs/dbraw/zinc/95/48/43/1425954843.db2.gz CNOGMCRZNXYIIQ-NEDHGLDYSA-N 1 2 331.287 3.202 10 30 EGEELO C=C[C@H](CC)CC(=O)NCC1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC001725306594 1425954845 /nfs/dbraw/zinc/95/48/45/1425954845.db2.gz CNOGMCRZNXYIIQ-NEDHGLDYSA-N 1 2 331.287 3.202 10 30 EGEELO C=CC(C)(C)CC(=O)N1CC2(C1)CCC[N@@H+](Cc1nocc1C)C2 ZINC001725338304 1425985434 /nfs/dbraw/zinc/98/54/34/1425985434.db2.gz OVXHPBRZDQCCBI-UHFFFAOYSA-N 1 2 331.460 3.010 10 30 EGEELO C=CC(C)(C)CC(=O)N1CC2(C1)CCC[N@H+](Cc1nocc1C)C2 ZINC001725338304 1425985435 /nfs/dbraw/zinc/98/54/35/1425985435.db2.gz OVXHPBRZDQCCBI-UHFFFAOYSA-N 1 2 331.460 3.010 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccn(CC)n2)[C@H]1C ZINC001725629879 1426297885 /nfs/dbraw/zinc/29/78/85/1426297885.db2.gz OGUMHKMVQPOIQL-LPHOPBHVSA-N 1 2 344.503 3.141 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](Cc2ccn(CC)n2)[C@H]1C ZINC001725629879 1426297886 /nfs/dbraw/zinc/29/78/86/1426297886.db2.gz OGUMHKMVQPOIQL-LPHOPBHVSA-N 1 2 344.503 3.141 10 30 EGEELO C=CCCCC(=O)N[C@H]1CCC[N@H+](CC(=C)Br)[C@H]1C ZINC001725643587 1426323658 /nfs/dbraw/zinc/32/36/58/1426323658.db2.gz WLCATEPWHVXORI-KBPBESRZSA-N 1 2 329.282 3.220 10 30 EGEELO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=C)Br)[C@H]1C ZINC001725643587 1426323664 /nfs/dbraw/zinc/32/36/64/1426323664.db2.gz WLCATEPWHVXORI-KBPBESRZSA-N 1 2 329.282 3.220 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001726003144 1426705491 /nfs/dbraw/zinc/70/54/91/1426705491.db2.gz LUOIWNPLBYLTFK-OAHLLOKOSA-N 1 2 345.487 3.186 10 30 EGEELO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC001731496246 1427471507 /nfs/dbraw/zinc/47/15/07/1427471507.db2.gz AABXEOOLIFHBAP-CABCVRRESA-N 1 2 334.464 3.048 10 30 EGEELO C=CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC001731496246 1427471509 /nfs/dbraw/zinc/47/15/09/1427471509.db2.gz AABXEOOLIFHBAP-CABCVRRESA-N 1 2 334.464 3.048 10 30 EGEELO C=C[C@H](CC)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=C)Br ZINC001731538280 1427540164 /nfs/dbraw/zinc/54/01/64/1427540164.db2.gz LGUFMPINRZRGRD-HUUCEWRRSA-N 1 2 343.309 3.468 10 30 EGEELO C=C[C@H](CC)CC(=O)NC[C@H]1CCCC[N@H+]1CC(=C)Br ZINC001731538280 1427540166 /nfs/dbraw/zinc/54/01/66/1427540166.db2.gz LGUFMPINRZRGRD-HUUCEWRRSA-N 1 2 343.309 3.468 10 30 EGEELO C=C[C@H](CC)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001731548591 1427566399 /nfs/dbraw/zinc/56/63/99/1427566399.db2.gz VEBUCUWNIIRAKS-ZBFHGGJFSA-N 1 2 346.475 3.020 10 30 EGEELO C=CCCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC001731553761 1427577523 /nfs/dbraw/zinc/57/75/23/1427577523.db2.gz AZIWSCXFUMMIDO-GJZGRUSLSA-N 1 2 348.491 3.050 10 30 EGEELO C=CCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC001731553761 1427577528 /nfs/dbraw/zinc/57/75/28/1427577528.db2.gz AZIWSCXFUMMIDO-GJZGRUSLSA-N 1 2 348.491 3.050 10 30 EGEELO C=C[C@H](C(=O)NCC[N@@H+](C)Cc1cnc(Cl)s1)c1ccccc1 ZINC001731795754 1427948800 /nfs/dbraw/zinc/94/88/00/1427948800.db2.gz KAOHDIMWWHOYDE-HNNXBMFYSA-N 1 2 349.887 3.314 10 30 EGEELO C=C[C@H](C(=O)NCC[N@H+](C)Cc1cnc(Cl)s1)c1ccccc1 ZINC001731795754 1427948802 /nfs/dbraw/zinc/94/88/02/1427948802.db2.gz KAOHDIMWWHOYDE-HNNXBMFYSA-N 1 2 349.887 3.314 10 30 EGEELO C=C[C@@H](C(=O)NCC[N@@H+](CC)Cc1ncc(C)s1)c1ccccc1 ZINC001731819806 1428020234 /nfs/dbraw/zinc/02/02/34/1428020234.db2.gz SVPHSEITSJUIEV-QGZVFWFLSA-N 1 2 343.496 3.359 10 30 EGEELO C=C[C@@H](C(=O)NCC[N@H+](CC)Cc1ncc(C)s1)c1ccccc1 ZINC001731819806 1428020236 /nfs/dbraw/zinc/02/02/36/1428020236.db2.gz SVPHSEITSJUIEV-QGZVFWFLSA-N 1 2 343.496 3.359 10 30 EGEELO C=C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1coc(C)n1)c1ccccc1 ZINC001731838209 1428057260 /nfs/dbraw/zinc/05/72/60/1428057260.db2.gz LMVIDYHSDLUXGK-OALUTQOASA-N 1 2 339.439 3.033 10 30 EGEELO C=C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1coc(C)n1)c1ccccc1 ZINC001731838209 1428057264 /nfs/dbraw/zinc/05/72/64/1428057264.db2.gz LMVIDYHSDLUXGK-OALUTQOASA-N 1 2 339.439 3.033 10 30 EGEELO C=CCC(C)(C)C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001731881422 1428152466 /nfs/dbraw/zinc/15/24/66/1428152466.db2.gz GAQZMMWZRAOYLA-UHFFFAOYSA-N 1 2 343.446 3.380 10 30 EGEELO C=CCC(C)(C)C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001731881422 1428152467 /nfs/dbraw/zinc/15/24/67/1428152467.db2.gz GAQZMMWZRAOYLA-UHFFFAOYSA-N 1 2 343.446 3.380 10 30 EGEELO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cscn1 ZINC001733600330 1429801577 /nfs/dbraw/zinc/80/15/77/1429801577.db2.gz QVVMASIERVGNSZ-HOTGVXAUSA-N 1 2 333.501 3.311 10 30 EGEELO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cscn1 ZINC001733600330 1429801580 /nfs/dbraw/zinc/80/15/80/1429801580.db2.gz QVVMASIERVGNSZ-HOTGVXAUSA-N 1 2 333.501 3.311 10 30 EGEELO C=C(C)CCC(=O)N(C)CCC[N@H+](C)Cc1csc(Cl)n1 ZINC001733771093 1430003294 /nfs/dbraw/zinc/00/32/94/1430003294.db2.gz QWWXZBMSSRPXCA-UHFFFAOYSA-N 1 2 329.897 3.433 10 30 EGEELO C=C(C)CCC(=O)N(C)CCC[N@@H+](C)Cc1csc(Cl)n1 ZINC001733771093 1430003297 /nfs/dbraw/zinc/00/32/97/1430003297.db2.gz QWWXZBMSSRPXCA-UHFFFAOYSA-N 1 2 329.897 3.433 10 30 EGEELO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@H](C)C1CCCCC1)O2 ZINC001733790260 1430058705 /nfs/dbraw/zinc/05/87/05/1430058705.db2.gz KGGRDKLEEMFWIG-WMZOPIPTSA-N 1 2 334.504 3.129 10 30 EGEELO C=CCC1(C(=O)N2C[C@H]([NH2+]Cc3csnn3)[C@@H](C)C2)CCCCC1 ZINC001733861732 1437691405 /nfs/dbraw/zinc/69/14/05/1437691405.db2.gz QNOMTRHIAPBZHE-HOCLYGCPSA-N 1 2 348.516 3.001 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001733900471 1437718350 /nfs/dbraw/zinc/71/83/50/1437718350.db2.gz OVGKWFREGSMDRB-KSSFIOAISA-N 1 2 343.446 3.379 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001733900471 1437718351 /nfs/dbraw/zinc/71/83/51/1437718351.db2.gz OVGKWFREGSMDRB-KSSFIOAISA-N 1 2 343.446 3.379 10 30 EGEELO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](F)c1ccccc1 ZINC001733907619 1437725923 /nfs/dbraw/zinc/72/59/23/1437725923.db2.gz SLLVXWVBZFUDRK-VQTJNVASSA-N 1 2 336.410 3.046 10 30 EGEELO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](F)c1ccccc1 ZINC001733907619 1437725928 /nfs/dbraw/zinc/72/59/28/1437725928.db2.gz SLLVXWVBZFUDRK-VQTJNVASSA-N 1 2 336.410 3.046 10 30 EGEELO C#CCCCCCC(=O)NC[C@H]1c2ccccc2CC[N@H+]1CCF ZINC001733907449 1437725969 /nfs/dbraw/zinc/72/59/69/1437725969.db2.gz QJKTUONZPHAQIY-IBGZPJMESA-N 1 2 330.447 3.255 10 30 EGEELO C#CCCCCCC(=O)NC[C@H]1c2ccccc2CC[N@@H+]1CCF ZINC001733907449 1437725970 /nfs/dbraw/zinc/72/59/70/1437725970.db2.gz QJKTUONZPHAQIY-IBGZPJMESA-N 1 2 330.447 3.255 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnc(C(F)F)s1 ZINC001733974230 1437774180 /nfs/dbraw/zinc/77/41/80/1437774180.db2.gz HHEBPKAIRUCSOO-VHSXEESVSA-N 1 2 346.447 3.061 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](C)Cc1nc(-c2ccco2)oc1C ZINC001734044527 1437833399 /nfs/dbraw/zinc/83/33/99/1437833399.db2.gz OKONLRWMLDMEFF-CYBMUJFWSA-N 1 2 345.443 3.392 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1nc(-c2ccco2)oc1C ZINC001734044527 1437833402 /nfs/dbraw/zinc/83/34/02/1437833402.db2.gz OKONLRWMLDMEFF-CYBMUJFWSA-N 1 2 345.443 3.392 10 30 EGEELO CC#CCCCC(=O)NC[C@H](C)[N@H+](C)Cc1nsc2ccccc21 ZINC001734049322 1437838517 /nfs/dbraw/zinc/83/85/17/1437838517.db2.gz ATDIHHVHYQYIQI-HNNXBMFYSA-N 1 2 343.496 3.426 10 30 EGEELO CC#CCCCC(=O)NC[C@H](C)[N@@H+](C)Cc1nsc2ccccc21 ZINC001734049322 1437838519 /nfs/dbraw/zinc/83/85/19/1437838519.db2.gz ATDIHHVHYQYIQI-HNNXBMFYSA-N 1 2 343.496 3.426 10 30 EGEELO CC/C(C)=C/C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001734141343 1437910639 /nfs/dbraw/zinc/91/06/39/1437910639.db2.gz FWRXOKYJGQXIQB-ODHXBGJQSA-N 1 2 343.446 3.380 10 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/nfs/dbraw/zinc/04/40/37/246044037.db2.gz CSLYPKUMOSLBFF-UHFFFAOYSA-N 1 2 349.434 3.349 10 30 EGEELO N#Cc1cc(F)ccc1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000097472772 219027657 /nfs/dbraw/zinc/02/76/57/219027657.db2.gz SHUTYBUAWZUTKO-UHFFFAOYSA-N 1 2 343.749 3.320 10 30 EGEELO N#Cc1csc(C[NH2+]Cc2cc(F)c(F)cc2Br)n1 ZINC000352936774 141272135 /nfs/dbraw/zinc/27/21/35/141272135.db2.gz JTTGATOVIJBFBV-UHFFFAOYSA-N 1 2 344.184 3.345 10 30 EGEELO COc1ccccc1CC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356235644 141325179 /nfs/dbraw/zinc/32/51/79/141325179.db2.gz WLWCEBYPVIJSMX-UHFFFAOYSA-N 1 2 327.453 3.478 10 30 EGEELO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000359648526 141397578 /nfs/dbraw/zinc/39/75/78/141397578.db2.gz KHFYPUZGQHKWOT-UHFFFAOYSA-N 1 2 331.423 3.376 10 30 EGEELO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000359648526 141397579 /nfs/dbraw/zinc/39/75/79/141397579.db2.gz KHFYPUZGQHKWOT-UHFFFAOYSA-N 1 2 331.423 3.376 10 30 EGEELO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 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COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cc1OC ZINC000592995972 459733414 /nfs/dbraw/zinc/73/34/14/459733414.db2.gz KXCBKVSRIZXLSN-UHFFFAOYSA-N 1 2 341.367 3.116 10 30 EGEELO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cc1OC ZINC000592995972 459733417 /nfs/dbraw/zinc/73/34/17/459733417.db2.gz KXCBKVSRIZXLSN-UHFFFAOYSA-N 1 2 341.367 3.116 10 30 EGEELO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000593122906 459780564 /nfs/dbraw/zinc/78/05/64/459780564.db2.gz BCLWYMGVTQHCRL-XOBRGWDASA-N 1 2 349.409 3.375 10 30 EGEELO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000593122906 459780568 /nfs/dbraw/zinc/78/05/68/459780568.db2.gz BCLWYMGVTQHCRL-XOBRGWDASA-N 1 2 349.409 3.375 10 30 EGEELO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000593122904 459780722 /nfs/dbraw/zinc/78/07/22/459780722.db2.gz BCLWYMGVTQHCRL-VLIAUNLRSA-N 1 2 349.409 3.375 10 30 EGEELO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000593122904 459780725 /nfs/dbraw/zinc/78/07/25/459780725.db2.gz BCLWYMGVTQHCRL-VLIAUNLRSA-N 1 2 349.409 3.375 10 30 EGEELO CCOc1ccccc1NC(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593126431 459781750 /nfs/dbraw/zinc/78/17/50/459781750.db2.gz JUSDFBZNXXVLGS-UHFFFAOYSA-N 1 2 335.407 3.301 10 30 EGEELO CCOc1ccccc1NC(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593126431 459781755 /nfs/dbraw/zinc/78/17/55/459781755.db2.gz JUSDFBZNXXVLGS-UHFFFAOYSA-N 1 2 335.407 3.301 10 30 EGEELO C[C@@H](CC#N)C(=O)Nc1nc2c(s1)CC[N@H+](Cc1ccccc1)C2 ZINC000596874489 459783659 /nfs/dbraw/zinc/78/36/59/459783659.db2.gz MZAJEHXFXVSYOG-ZDUSSCGKSA-N 1 2 340.452 3.190 10 30 EGEELO C[C@@H](CC#N)C(=O)Nc1nc2c(s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000596874489 459783662 /nfs/dbraw/zinc/78/36/62/459783662.db2.gz MZAJEHXFXVSYOG-ZDUSSCGKSA-N 1 2 340.452 3.190 10 30 EGEELO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596981241 459809905 /nfs/dbraw/zinc/80/99/05/459809905.db2.gz LRDRJVBFFGFINT-KRWDZBQOSA-N 1 2 336.439 3.071 10 30 EGEELO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596981241 459809909 /nfs/dbraw/zinc/80/99/09/459809909.db2.gz LRDRJVBFFGFINT-KRWDZBQOSA-N 1 2 336.439 3.071 10 30 EGEELO Cc1ccc2cc(C[NH+]3CCN(c4ncccc4C#N)CC3)[nH]c2c1 ZINC000596983414 459811109 /nfs/dbraw/zinc/81/11/09/459811109.db2.gz YIDGGTLYGZEEPK-UHFFFAOYSA-N 1 2 331.423 3.065 10 30 EGEELO COC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000597111713 459839427 /nfs/dbraw/zinc/83/94/27/459839427.db2.gz SXSBYCCLEDKQLI-IBGZPJMESA-N 1 2 334.419 3.116 10 30 EGEELO C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[C@@](C)(C#N)C1 ZINC000585816005 459855450 /nfs/dbraw/zinc/85/54/50/459855450.db2.gz JMIJKUSOWWWIMY-LIRRHRJNSA-N 1 2 337.427 3.029 10 30 EGEELO Cn1cc[nH+]c1[C@@H](CC(=O)NCC1(C#N)CCCCC1)C(F)(F)F ZINC000598315238 459862092 /nfs/dbraw/zinc/86/20/92/459862092.db2.gz LNYOLUPLLDAQGX-GFCCVEGCSA-N 1 2 342.365 3.046 10 30 EGEELO CC(C)(C#N)c1ccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000614160328 460033482 /nfs/dbraw/zinc/03/34/82/460033482.db2.gz ODBNMKWOGGEYEW-UHFFFAOYSA-N 1 2 337.423 3.039 10 30 EGEELO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cc(O)cc(C#N)c2)cc1 ZINC000589188061 460048590 /nfs/dbraw/zinc/04/85/90/460048590.db2.gz LFKCEBRUXCQEJM-CYBMUJFWSA-N 1 2 346.390 3.249 10 30 EGEELO CCOC(=O)c1csc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594036115 460066826 /nfs/dbraw/zinc/06/68/26/460066826.db2.gz WFRIADALFYFNHS-UHFFFAOYSA-N 1 2 341.436 3.360 10 30 EGEELO CCn1cc[nH+]c1[C@H](C)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594245592 460170697 /nfs/dbraw/zinc/17/06/97/460170697.db2.gz HCPVELBKMZUKIR-AWEZNQCLSA-N 1 2 337.427 3.214 10 30 EGEELO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)c(C)o1 ZINC000599273794 460213845 /nfs/dbraw/zinc/21/38/45/460213845.db2.gz UFCKFSXSHGIACG-UHFFFAOYSA-N 1 2 337.423 3.035 10 30 EGEELO C[C@H]1CCN(c2c(C#N)cnn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000603310602 460281884 /nfs/dbraw/zinc/28/18/84/460281884.db2.gz IFWBYTATZGMYPM-YJBOKZPZSA-N 1 2 332.411 3.028 10 30 EGEELO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502147 460378718 /nfs/dbraw/zinc/37/87/18/460378718.db2.gz OACUHCFFUHBEQR-OWCLPIDISA-N 1 2 347.434 3.010 10 30 EGEELO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502147 460378724 /nfs/dbraw/zinc/37/87/24/460378724.db2.gz OACUHCFFUHBEQR-OWCLPIDISA-N 1 2 347.434 3.010 10 30 EGEELO N#Cc1cc(Br)ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611925817 460490834 /nfs/dbraw/zinc/49/08/34/460490834.db2.gz CEHPLMTZMGVRLG-CQSZACIVSA-N 1 2 331.217 3.359 10 30 EGEELO N#Cc1cc(Br)ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611925807 460491037 /nfs/dbraw/zinc/49/10/37/460491037.db2.gz CEHPLMTZMGVRLG-AWEZNQCLSA-N 1 2 331.217 3.359 10 30 EGEELO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000600613009 460544501 /nfs/dbraw/zinc/54/45/01/460544501.db2.gz FASRIMJBPZZUMB-VIFPVBQESA-N 1 2 328.160 3.260 10 30 EGEELO C[C@@H](c1nccs1)[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000613333157 460913422 /nfs/dbraw/zinc/91/34/22/460913422.db2.gz PSHUFJJDTWXZLB-AWEZNQCLSA-N 1 2 349.463 3.446 10 30 EGEELO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000660305512 461698147 /nfs/dbraw/zinc/69/81/47/461698147.db2.gz MHHHCRCGFQUMSL-CALCHBBNSA-N 1 2 326.444 3.074 10 30 EGEELO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000660357845 461728963 /nfs/dbraw/zinc/72/89/63/461728963.db2.gz OEQNNHPBDALUHN-HDICACEKSA-N 1 2 340.471 3.465 10 30 EGEELO C=C(C)[C@@H](CC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C)OCC ZINC000650683847 461887333 /nfs/dbraw/zinc/88/73/33/461887333.db2.gz JEAOZYISAINXEL-QZTJIDSGSA-N 1 2 341.455 3.191 10 30 EGEELO C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000661412863 462236349 /nfs/dbraw/zinc/23/63/49/462236349.db2.gz VWPBTPHHSUUTAF-OALUTQOASA-N 1 2 342.487 3.044 10 30 EGEELO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000662091447 462523035 /nfs/dbraw/zinc/52/30/35/462523035.db2.gz YIAKAGSQGPDZCJ-GASCZTMLSA-N 1 2 340.452 3.473 10 30 EGEELO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000662091447 462523037 /nfs/dbraw/zinc/52/30/37/462523037.db2.gz YIAKAGSQGPDZCJ-GASCZTMLSA-N 1 2 340.452 3.473 10 30 EGEELO C=CCC(CC=C)C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000151231906 527021575 /nfs/dbraw/zinc/02/15/75/527021575.db2.gz RNHQWMIRLWSQNL-QGZVFWFLSA-N 1 2 348.512 3.348 10 30 EGEELO C[C@@H]1CN(c2ccc(CNC(=O)C3CCSCC3)c[nH+]2)C[C@@H](C)O1 ZINC000329462293 547498468 /nfs/dbraw/zinc/49/84/68/547498468.db2.gz TXTYBPJWLSNBJK-ZIAGYGMSSA-N 1 2 349.500 3.295 10 30 EGEELO C=C(C)[C@H](CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)OCC ZINC000677309884 549246996 /nfs/dbraw/zinc/24/69/96/549246996.db2.gz GODDYXOCJRLUHE-ROUUACIJSA-N 1 2 341.455 3.191 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000677732550 549321812 /nfs/dbraw/zinc/32/18/12/549321812.db2.gz QDTJFWVWUKMCED-GFCCVEGCSA-N 1 2 326.412 3.490 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677732550 549321816 /nfs/dbraw/zinc/32/18/16/549321816.db2.gz QDTJFWVWUKMCED-GFCCVEGCSA-N 1 2 326.412 3.490 10 30 EGEELO C[C@H](O[NH+]=C(N)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000727487482 574670679 /nfs/dbraw/zinc/67/06/79/574670679.db2.gz XVDUCAFILKTPMR-SLEUVZQESA-N 1 2 337.851 3.060 10 30 EGEELO C=C(Cl)CNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000736397909 575950182 /nfs/dbraw/zinc/95/01/82/575950182.db2.gz KSEIRMIXDUCIMI-ZDUSSCGKSA-N 1 2 342.270 3.481 10 30 EGEELO COC(=O)[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(C#N)cc1 ZINC000739990699 576528802 /nfs/dbraw/zinc/52/88/02/576528802.db2.gz NDLRRVFOSUPTEC-IBGZPJMESA-N 1 2 333.391 3.086 10 30 EGEELO C=CC(C)(C)CCCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000873113245 1297275901 /nfs/dbraw/zinc/27/59/01/1297275901.db2.gz VTUADNPUCHRTDY-QGZVFWFLSA-N 1 2 344.503 3.462 10 30 EGEELO C=CCNC(=O)c1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000877607604 1299428480 /nfs/dbraw/zinc/42/84/80/1299428480.db2.gz FASNHHDHJZBTHU-UHFFFAOYSA-N 1 2 325.412 3.235 10 30 EGEELO C=C(Cl)C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)C(=O)OCC ZINC000877671855 1299468479 /nfs/dbraw/zinc/46/84/79/1299468479.db2.gz QFCREBYJBDTKTI-RDJZCZTQSA-N 1 2 336.863 3.177 10 30 EGEELO C#CCC(CC#C)C(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC000881455204 1301569548 /nfs/dbraw/zinc/56/95/48/1301569548.db2.gz MZQPFVBTIUTURJ-HXUWFJFHSA-N 1 2 340.442 3.084 10 30 EGEELO C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000886361391 1303448341 /nfs/dbraw/zinc/44/83/41/1303448341.db2.gz FPCQXPVNUGYEMF-BDAKNGLRSA-N 1 2 346.299 3.054 10 30 EGEELO C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000886361391 1303448342 /nfs/dbraw/zinc/44/83/42/1303448342.db2.gz FPCQXPVNUGYEMF-BDAKNGLRSA-N 1 2 346.299 3.054 10 30 EGEELO C#CC[C@@H]1CCCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000890243322 1304722378 /nfs/dbraw/zinc/72/23/78/1304722378.db2.gz IMLYJIZKWWFZQH-MJGOQNOKSA-N 1 2 336.439 3.069 10 30 EGEELO C#C[C@H]([NH2+][C@H]1CCC2(C[C@H]1F)OCCO2)c1ccc(Cl)cc1F ZINC000894405606 1308859266 /nfs/dbraw/zinc/85/92/66/1308859266.db2.gz GQLNEGZNLHYJGZ-PMPSAXMXSA-N 1 2 341.785 3.377 10 30 EGEELO COc1c(C)c[nH+]c(CN(C)C(=O)c2[nH]c3ccccc3c2C#N)c1C ZINC000895980733 1309626958 /nfs/dbraw/zinc/62/69/58/1309626958.db2.gz MLLCFUKNWYZSEM-UHFFFAOYSA-N 1 2 348.406 3.332 10 30 EGEELO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCC2(CCOCC2)O1 ZINC000896177260 1309732037 /nfs/dbraw/zinc/73/20/37/1309732037.db2.gz GBNGDHFSVBPBFY-MRXNPFEDSA-N 1 2 330.428 3.014 10 30 EGEELO C#CCCCOc1ccc[nH+]c1NCc1ccc(CC(=O)OC)cc1 ZINC000858677898 1328827584 /nfs/dbraw/zinc/82/75/84/1328827584.db2.gz OKRZKABETVSLRG-UHFFFAOYSA-N 1 2 338.407 3.201 10 30 EGEELO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000852332274 1323178756 /nfs/dbraw/zinc/17/87/56/1323178756.db2.gz PYCOWNSHBBYIRI-HKUYNNGSSA-N 1 2 325.456 3.431 10 30 EGEELO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000852332274 1323178761 /nfs/dbraw/zinc/17/87/61/1323178761.db2.gz PYCOWNSHBBYIRI-HKUYNNGSSA-N 1 2 325.456 3.431 10 30 EGEELO CCn1nc(C)c([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000925491862 1325175026 /nfs/dbraw/zinc/17/50/26/1325175026.db2.gz WFKDCQWYLYZLGN-GFCCVEGCSA-N 1 2 336.361 3.328 10 30 EGEELO CC[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cccc(C#N)c1O ZINC000926497551 1325576467 /nfs/dbraw/zinc/57/64/67/1325576467.db2.gz LLYPMXCMTSNJRC-AEFFLSMTSA-N 1 2 328.387 3.047 10 30 EGEELO CC[C@H]([NH2+]Cc1cn(C)nc1Br)c1cccc(C#N)c1O ZINC000926882820 1327755534 /nfs/dbraw/zinc/75/55/34/1327755534.db2.gz DUNSHSOHEGOVRH-ZDUSSCGKSA-N 1 2 349.232 3.001 10 30 EGEELO N#C[C@@]1(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)CC2CCC1CC2 ZINC000927104247 1327863796 /nfs/dbraw/zinc/86/37/96/1327863796.db2.gz KXHPPBNYABOOKG-PMTKGXAQSA-N 1 2 338.455 3.205 10 30 EGEELO N#Cc1c2ccccc2[nH]c1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927105835 1327866606 /nfs/dbraw/zinc/86/66/06/1327866606.db2.gz VDLAOJJGCSFXRV-UHFFFAOYSA-N 1 2 345.406 3.151 10 30 EGEELO CC(C)[C@@H](C(=O)Nc1ccc(CCC#N)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000928406373 1328310726 /nfs/dbraw/zinc/31/07/26/1328310726.db2.gz KIDWEQARGKDCGP-MDZRGWNJSA-N 1 2 343.471 3.215 10 30 EGEELO C=CCCn1cc(C[NH2+][C@@H](CC)c2cccc(OC)c2OC)nn1 ZINC000865756934 1329735134 /nfs/dbraw/zinc/73/51/34/1329735134.db2.gz BYQOPUBDQGZYPX-INIZCTEOSA-N 1 2 330.432 3.112 10 30 EGEELO C#Cc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000933361081 1329882760 /nfs/dbraw/zinc/88/27/60/1329882760.db2.gz BMMNKAUPBZNHOO-CQSZACIVSA-N 1 2 342.830 3.466 10 30 EGEELO C=CC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934417549 1329976728 /nfs/dbraw/zinc/97/67/28/1329976728.db2.gz LTPPJVCTBMTGBX-INIZCTEOSA-N 1 2 335.831 3.352 10 30 EGEELO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cccc(C#N)c1O ZINC000866238215 1330082949 /nfs/dbraw/zinc/08/29/49/1330082949.db2.gz NPMOOKQAIDWBGL-BEFAXECRSA-N 1 2 349.434 3.278 10 30 EGEELO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1cccc(C#N)c1O ZINC000866308932 1330094114 /nfs/dbraw/zinc/09/41/14/1330094114.db2.gz JPMVFNPZCGXDBF-CHWSQXEVSA-N 1 2 333.432 3.075 10 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WGRUDDBWSIUGFC-SJLPKXTDSA-N 1 2 337.471 3.000 10 30 EGEELO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1Cc2cccc(C#N)c2C1 ZINC001338896444 1389811148 /nfs/dbraw/zinc/81/11/48/1389811148.db2.gz TZKLANRZUCBZOW-SFHVURJKSA-N 1 2 348.454 3.013 10 30 EGEELO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1Cc2cccc(C#N)c2C1 ZINC001338896444 1389811150 /nfs/dbraw/zinc/81/11/50/1389811150.db2.gz TZKLANRZUCBZOW-SFHVURJKSA-N 1 2 348.454 3.013 10 30 EGEELO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)sc2C)[C@@H]1C ZINC001332177540 1390023116 /nfs/dbraw/zinc/02/31/16/1390023116.db2.gz PWJVLGVKKFFTBF-RHSMWYFYSA-N 1 2 347.528 3.423 10 30 EGEELO C#CCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)sc2C)[C@@H]1C ZINC001332177540 1390023121 /nfs/dbraw/zinc/02/31/21/1390023121.db2.gz PWJVLGVKKFFTBF-RHSMWYFYSA-N 1 2 347.528 3.423 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccn(C)n3)[C@H]2C)CCCC1 ZINC001332215849 1390046778 /nfs/dbraw/zinc/04/67/78/1390046778.db2.gz BLRLBNBVYVHFTF-FUHWJXTLSA-N 1 2 344.503 3.026 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccn(C)n3)[C@H]2C)CCCC1 ZINC001332215849 1390046780 /nfs/dbraw/zinc/04/67/80/1390046780.db2.gz BLRLBNBVYVHFTF-FUHWJXTLSA-N 1 2 344.503 3.026 10 30 EGEELO N#Cc1cncc(CSCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001332436406 1390117240 /nfs/dbraw/zinc/11/72/40/1390117240.db2.gz DKNZSHGDUVPSBV-UHFFFAOYSA-N 1 2 339.464 3.219 10 30 EGEELO C#Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC001333325469 1390284192 /nfs/dbraw/zinc/28/41/92/1390284192.db2.gz ARVGXCNNAMZLFU-CYBMUJFWSA-N 1 2 340.427 3.028 10 30 EGEELO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)[C@H](C)CCSC ZINC001345984423 1390899007 /nfs/dbraw/zinc/89/90/07/1390899007.db2.gz XDMHTJYMQJOSNA-OAHLLOKOSA-N 1 2 337.537 3.028 10 30 EGEELO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCC[N@H+]2C)n1CC(=C)C ZINC001346627520 1390962631 /nfs/dbraw/zinc/96/26/31/1390962631.db2.gz OQAQLHXBCPLKKD-SJORKVTESA-N 1 2 327.476 3.003 10 30 EGEELO C#C[C@@H]1CCCCN1c1nnc([C@@H]2CCCC[N@@H+]2C)n1CC(=C)C ZINC001346627520 1390962632 /nfs/dbraw/zinc/96/26/32/1390962632.db2.gz OQAQLHXBCPLKKD-SJORKVTESA-N 1 2 327.476 3.003 10 30 EGEELO CNc1cc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc[nH+]1 ZINC001348264559 1391194997 /nfs/dbraw/zinc/19/49/97/1391194997.db2.gz QAKVXFPMTOUMIM-QZTJIDSGSA-N 1 2 349.438 3.105 10 30 EGEELO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C(F)(F)F)c(OC)cc1C ZINC001354003436 1392113953 /nfs/dbraw/zinc/11/39/53/1392113953.db2.gz RSSCBZKJZYFLPS-AWEZNQCLSA-N 1 2 340.345 3.059 10 30 EGEELO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(F)(F)F)c(OC)cc1C ZINC001354003436 1392113954 /nfs/dbraw/zinc/11/39/54/1392113954.db2.gz RSSCBZKJZYFLPS-AWEZNQCLSA-N 1 2 340.345 3.059 10 30 EGEELO C=CCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001479557458 1392274949 /nfs/dbraw/zinc/27/49/49/1392274949.db2.gz ZSEVQMTZMQYYRL-CABCVRRESA-N 1 2 348.491 3.050 10 30 EGEELO C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(CCC)no1 ZINC001479564402 1392276617 /nfs/dbraw/zinc/27/66/17/1392276617.db2.gz MQHYUAXTFQBLEO-CVEARBPZSA-N 1 2 348.491 3.095 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001479905273 1392473069 /nfs/dbraw/zinc/47/30/69/1392473069.db2.gz ZBABJSMEKADLCW-KRWDZBQOSA-N 1 2 332.875 3.441 10 30 EGEELO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001479905273 1392473072 /nfs/dbraw/zinc/47/30/72/1392473072.db2.gz ZBABJSMEKADLCW-KRWDZBQOSA-N 1 2 332.875 3.441 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001479908573 1392476405 /nfs/dbraw/zinc/47/64/05/1392476405.db2.gz PBBSAONPIJESGE-INIZCTEOSA-N 1 2 331.460 3.072 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001479908573 1392476409 /nfs/dbraw/zinc/47/64/09/1392476409.db2.gz PBBSAONPIJESGE-INIZCTEOSA-N 1 2 331.460 3.072 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001479961313 1392496369 /nfs/dbraw/zinc/49/63/69/1392496369.db2.gz BYWKWGALGJJGDI-OAHLLOKOSA-N 1 2 336.838 3.363 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001479961313 1392496370 /nfs/dbraw/zinc/49/63/70/1392496370.db2.gz BYWKWGALGJJGDI-OAHLLOKOSA-N 1 2 336.838 3.363 10 30 EGEELO O=C(C#CC1CC1)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1F ZINC001480315604 1392676465 /nfs/dbraw/zinc/67/64/65/1392676465.db2.gz AZMMPJZIUYEZSD-MRXNPFEDSA-N 1 2 348.849 3.363 10 30 EGEELO O=C(C#CC1CC1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1F ZINC001480315604 1392676469 /nfs/dbraw/zinc/67/64/69/1392676469.db2.gz AZMMPJZIUYEZSD-MRXNPFEDSA-N 1 2 348.849 3.363 10 30 EGEELO C#CCCCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nocc1C ZINC001480323197 1392683257 /nfs/dbraw/zinc/68/32/57/1392683257.db2.gz LDFIAAVDUFRZBK-KRWDZBQOSA-N 1 2 331.460 3.037 10 30 EGEELO C#CCCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nocc1C ZINC001480323197 1392683259 /nfs/dbraw/zinc/68/32/59/1392683259.db2.gz LDFIAAVDUFRZBK-KRWDZBQOSA-N 1 2 331.460 3.037 10 30 EGEELO CC(C)[C@@H](F)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001480322925 1392683568 /nfs/dbraw/zinc/68/35/68/1392683568.db2.gz HKHKEBCLRBJDBW-ZWKOTPCHSA-N 1 2 331.435 3.023 10 30 EGEELO CC(C)[C@@H](F)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001480322925 1392683569 /nfs/dbraw/zinc/68/35/69/1392683569.db2.gz HKHKEBCLRBJDBW-ZWKOTPCHSA-N 1 2 331.435 3.023 10 30 EGEELO C=C1CC(C)(C(=O)N[C@@H](C[NH2+]Cc2nc(C(C)C)no2)CC(C)C)C1 ZINC001698872913 1406593490 /nfs/dbraw/zinc/59/34/90/1406593490.db2.gz GBQFJULGSBWMPN-OAHLLOKOSA-N 1 2 348.491 3.170 10 30 EGEELO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001480735462 1392900692 /nfs/dbraw/zinc/90/06/92/1392900692.db2.gz HHATTWFKDGHZMU-INIZCTEOSA-N 1 2 333.476 3.317 10 30 EGEELO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001480735462 1392900695 /nfs/dbraw/zinc/90/06/95/1392900695.db2.gz HHATTWFKDGHZMU-INIZCTEOSA-N 1 2 333.476 3.317 10 30 EGEELO C=C(Cl)C[N@H+](CC)CCNC(=O)c1nc(C(C)(C)C)cs1 ZINC001480980732 1393065446 /nfs/dbraw/zinc/06/54/46/1393065446.db2.gz UKRHVZOUAJTURM-UHFFFAOYSA-N 1 2 329.897 3.245 10 30 EGEELO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1nc(C(C)(C)C)cs1 ZINC001480980732 1393065449 /nfs/dbraw/zinc/06/54/49/1393065449.db2.gz UKRHVZOUAJTURM-UHFFFAOYSA-N 1 2 329.897 3.245 10 30 EGEELO C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1 ZINC001481390209 1394231456 /nfs/dbraw/zinc/23/14/56/1394231456.db2.gz HPQMGJAWTGZKIU-HDICACEKSA-N 1 2 348.874 3.108 10 30 EGEELO C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1 ZINC001481390209 1394231459 /nfs/dbraw/zinc/23/14/59/1394231459.db2.gz HPQMGJAWTGZKIU-HDICACEKSA-N 1 2 348.874 3.108 10 30 EGEELO C#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001481396512 1394241865 /nfs/dbraw/zinc/24/18/65/1394241865.db2.gz LCRYTRQWLJKRPR-DLBZAZTESA-N 1 2 331.460 3.160 10 30 EGEELO C#CCCCC(=O)N(CCC)[C@@H]1CC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001481396512 1394241872 /nfs/dbraw/zinc/24/18/72/1394241872.db2.gz LCRYTRQWLJKRPR-DLBZAZTESA-N 1 2 331.460 3.160 10 30 EGEELO Cc1ccc(F)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC(C)(C)C)c1 ZINC001490792462 1394346661 /nfs/dbraw/zinc/34/66/61/1394346661.db2.gz HYIIUZFQWAINMA-HDICACEKSA-N 1 2 342.458 3.359 10 30 EGEELO Cc1ccc(F)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC(C)(C)C)c1 ZINC001490792462 1394346668 /nfs/dbraw/zinc/34/66/68/1394346668.db2.gz HYIIUZFQWAINMA-HDICACEKSA-N 1 2 342.458 3.359 10 30 EGEELO C=CCC(CC=C)C(=O)NCC1C[NH+](Cc2ccncc2Cl)C1 ZINC001481626939 1394424749 /nfs/dbraw/zinc/42/47/49/1394424749.db2.gz DSQQXSRNIJQKHE-UHFFFAOYSA-N 1 2 333.863 3.051 10 30 EGEELO CC(C)C#CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC001481725492 1394476254 /nfs/dbraw/zinc/47/62/54/1394476254.db2.gz ANBVERTULOHKDL-LSDHHAIUSA-N 1 2 334.410 3.218 10 30 EGEELO CC(C)C#CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC001481725492 1394476255 /nfs/dbraw/zinc/47/62/55/1394476255.db2.gz ANBVERTULOHKDL-LSDHHAIUSA-N 1 2 334.410 3.218 10 30 EGEELO C=CCC1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2snnc2C)CCC1 ZINC001491223191 1394481013 /nfs/dbraw/zinc/48/10/13/1394481013.db2.gz DFJNZLLOOCGJGG-OAHLLOKOSA-N 1 2 348.516 3.064 10 30 EGEELO C=CCC1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2snnc2C)CCC1 ZINC001491223191 1394481015 /nfs/dbraw/zinc/48/10/15/1394481015.db2.gz DFJNZLLOOCGJGG-OAHLLOKOSA-N 1 2 348.516 3.064 10 30 EGEELO C=CCC(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001491263801 1394496097 /nfs/dbraw/zinc/49/60/97/1394496097.db2.gz CUKBMJBIKBHTFS-HNNXBMFYSA-N 1 2 346.475 3.020 10 30 EGEELO C#CCCCCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001481771981 1394516273 /nfs/dbraw/zinc/51/62/73/1394516273.db2.gz SBBNTVDXJQPTKN-INIZCTEOSA-N 1 2 333.501 3.150 10 30 EGEELO C#CCCCCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001481771981 1394516280 /nfs/dbraw/zinc/51/62/80/1394516280.db2.gz SBBNTVDXJQPTKN-INIZCTEOSA-N 1 2 333.501 3.150 10 30 EGEELO C=C[C@@H](CC)CC(=O)N1CCC2(C[NH+](Cc3nccs3)C2)CC1 ZINC001482243937 1394841084 /nfs/dbraw/zinc/84/10/84/1394841084.db2.gz USJFKPUYNOXPGG-HNNXBMFYSA-N 1 2 333.501 3.170 10 30 EGEELO C=CCC(C)(C)C(=O)N1CCC2(C[NH+](Cc3cncc(F)c3)C2)CC1 ZINC001482244701 1394841980 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COc1ccc(Cl)cc1C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000121216449 152334412 /nfs/dbraw/zinc/33/44/12/152334412.db2.gz VGKSXAOHYYJDEF-UHFFFAOYSA-N 1 2 340.814 3.500 10 30 EGEELO N#Cc1ccc(Br)c(C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000191780444 153222398 /nfs/dbraw/zinc/22/23/98/153222398.db2.gz MGNFJCUCBBXLMG-UHFFFAOYSA-N 1 2 345.244 3.423 10 30 EGEELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cscc2C#N)CC1 ZINC000339904360 155024840 /nfs/dbraw/zinc/02/48/40/155024840.db2.gz PGXPDUXNFOJHSN-ZDUSSCGKSA-N 1 2 343.427 3.278 10 30 EGEELO CCN(CC)c1ccc(CNc2cc(C#N)c3ccccc3n2)c[nH+]1 ZINC000346394574 164379652 /nfs/dbraw/zinc/37/96/52/164379652.db2.gz FUTHPQYAKIHLKS-UHFFFAOYSA-N 1 2 331.423 3.382 10 30 EGEELO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352840948 165527253 /nfs/dbraw/zinc/52/72/53/165527253.db2.gz PYLQFMGCBCQQNK-UHFFFAOYSA-N 1 2 328.441 3.289 10 30 EGEELO Cc1ccc2ncc(C#N)c(NCc3cccnc3-n3cc[nH+]c3)c2c1 ZINC000366080621 168079718 /nfs/dbraw/zinc/07/97/18/168079718.db2.gz 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Cc1ccc(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)nc1C#N ZINC000302616993 267432592 /nfs/dbraw/zinc/43/25/92/267432592.db2.gz GBOWOQHJOCABEE-HOCLYGCPSA-N 1 2 342.468 3.197 10 30 EGEELO Cc1ccc(CNc2cc(C)[nH+]cc2C#N)c(OC[C@@H]2CCOC2)c1 ZINC000425227802 268036572 /nfs/dbraw/zinc/03/65/72/268036572.db2.gz BBVQBYUJTXHPCT-MRXNPFEDSA-N 1 2 337.423 3.019 10 30 EGEELO N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000301783973 268050624 /nfs/dbraw/zinc/05/06/24/268050624.db2.gz UUDHPBYCCVVHAG-LBPRGKRZSA-N 1 2 333.317 3.058 10 30 EGEELO Cn1cc(Cl)c(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000449481623 268129615 /nfs/dbraw/zinc/12/96/15/268129615.db2.gz UUFWOZNKGXXPEP-UHFFFAOYSA-N 1 2 328.725 3.254 10 30 EGEELO N#Cc1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c(Cl)c1 ZINC000439433153 268221247 /nfs/dbraw/zinc/22/12/47/268221247.db2.gz YQGKZIRZIVIDSI-UHFFFAOYSA-N 1 2 341.846 3.134 10 30 EGEELO O=C(Nc1n[nH]c(C(F)(F)F)n1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000069739356 279717158 /nfs/dbraw/zinc/71/71/58/279717158.db2.gz GCMSQXQALURAPE-LLVKDONJSA-N 1 2 339.321 3.249 10 30 EGEELO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835044 459458092 /nfs/dbraw/zinc/45/80/92/459458092.db2.gz NEJNBRPJDLGXSE-INIZCTEOSA-N 1 2 340.254 3.187 10 30 EGEELO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835044 459458097 /nfs/dbraw/zinc/45/80/97/459458097.db2.gz NEJNBRPJDLGXSE-INIZCTEOSA-N 1 2 340.254 3.187 10 30 EGEELO C[C@]1(C#N)CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000612159644 460556585 /nfs/dbraw/zinc/55/65/85/460556585.db2.gz XIDZGXLFFAWCQA-BLLLJJGKSA-N 1 2 343.254 3.359 10 30 EGEELO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000612159644 460556589 /nfs/dbraw/zinc/55/65/89/460556589.db2.gz XIDZGXLFFAWCQA-BLLLJJGKSA-N 1 2 343.254 3.359 10 30 EGEELO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccsc1 ZINC000007926962 453133720 /nfs/dbraw/zinc/13/37/20/453133720.db2.gz YRBPVPIHCHYAOD-UHFFFAOYSA-N 1 2 331.466 3.240 10 30 EGEELO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccsc1 ZINC000007926962 453133731 /nfs/dbraw/zinc/13/37/31/453133731.db2.gz YRBPVPIHCHYAOD-UHFFFAOYSA-N 1 2 331.466 3.240 10 30 EGEELO Cc1csc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)n1 ZINC000184212153 455362289 /nfs/dbraw/zinc/36/22/89/455362289.db2.gz RJOHMAGUMQCBMK-AWEZNQCLSA-N 1 2 328.441 3.049 10 30 EGEELO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000057753054 454145054 /nfs/dbraw/zinc/14/50/54/454145054.db2.gz JXSBFLSKLAQZAK-AWEZNQCLSA-N 1 2 326.831 3.490 10 30 EGEELO CN(C(=O)Nc1cccc(C#N)c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000057879394 454154166 /nfs/dbraw/zinc/15/41/66/454154166.db2.gz XPWOXKOMKNHTDP-UHFFFAOYSA-N 1 2 335.411 3.086 10 30 EGEELO C=C[C@H](CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000119515667 454200874 /nfs/dbraw/zinc/20/08/74/454200874.db2.gz YHHOCGKZWFSTHS-QGZVFWFLSA-N 1 2 332.407 3.243 10 30 EGEELO CC(C)[C@@H]1C[C@H](C[N@@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCO1 ZINC000095466183 454217670 /nfs/dbraw/zinc/21/76/70/454217670.db2.gz PWLQEBLEJOEYFZ-NJYVYQBISA-N 1 2 341.499 3.148 10 30 EGEELO CC(C)[C@@H]1C[C@H](C[N@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCO1 ZINC000095466183 454217672 /nfs/dbraw/zinc/21/76/72/454217672.db2.gz PWLQEBLEJOEYFZ-NJYVYQBISA-N 1 2 341.499 3.148 10 30 EGEELO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCSCC1 ZINC000089986079 454254970 /nfs/dbraw/zinc/25/49/70/454254970.db2.gz LGMCMCGRXJOJKV-CQSZACIVSA-N 1 2 349.525 3.458 10 30 EGEELO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCSCC1 ZINC000089986079 454254973 /nfs/dbraw/zinc/25/49/73/454254973.db2.gz LGMCMCGRXJOJKV-CQSZACIVSA-N 1 2 349.525 3.458 10 30 EGEELO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000089996960 454257021 /nfs/dbraw/zinc/25/70/21/454257021.db2.gz VEORSTNFGZHBQH-ZBFHGGJFSA-N 1 2 345.855 3.448 10 30 EGEELO C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000089996960 454257028 /nfs/dbraw/zinc/25/70/28/454257028.db2.gz VEORSTNFGZHBQH-ZBFHGGJFSA-N 1 2 345.855 3.448 10 30 EGEELO N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000097197436 454421714 /nfs/dbraw/zinc/42/17/14/454421714.db2.gz FQVHMWSWRDMMFO-MRXNPFEDSA-N 1 2 342.402 3.167 10 30 EGEELO N#CCCn1ncc2c1nc[nH+]c2N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000097200316 454423663 /nfs/dbraw/zinc/42/36/63/454423663.db2.gz CRLACMKULZAREU-MNOVXSKESA-N 1 2 338.337 3.273 10 30 EGEELO C=CCOc1ccc(C[NH+]2CCN(Cc3c(C)noc3C)CC2)cc1 ZINC000091890171 454483952 /nfs/dbraw/zinc/48/39/52/454483952.db2.gz SAWARRUNDNWKCK-UHFFFAOYSA-N 1 2 341.455 3.174 10 30 EGEELO C=CCOc1ccc(CN2CC[NH+](Cc3c(C)noc3C)CC2)cc1 ZINC000091890171 454483955 /nfs/dbraw/zinc/48/39/55/454483955.db2.gz SAWARRUNDNWKCK-UHFFFAOYSA-N 1 2 341.455 3.174 10 30 EGEELO N#Cc1cccnc1N1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000122953206 454585821 /nfs/dbraw/zinc/58/58/21/454585821.db2.gz BEZNWPNPEIXODZ-UHFFFAOYSA-N 1 2 348.450 3.064 10 30 EGEELO N#CC1(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC2(CC2)C1 ZINC000600945018 460655510 /nfs/dbraw/zinc/65/55/10/460655510.db2.gz 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C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000662087714 462522463 /nfs/dbraw/zinc/52/24/63/462522463.db2.gz IRGMFEIPGXSEDH-ZNMIVQPWSA-N 1 2 335.245 3.159 10 30 EGEELO CCOC(=O)CCc1cc(NCC2CCC(C#N)CC2)nc(C)[nH+]1 ZINC000601160548 468765160 /nfs/dbraw/zinc/76/51/60/468765160.db2.gz XSIVGHABCGQYPU-UHFFFAOYSA-N 1 2 330.432 3.023 10 30 EGEELO CCN1C(=O)CCc2cc(NCc3c[nH+]c4ccc(C#N)cn34)ccc21 ZINC000185275707 535430469 /nfs/dbraw/zinc/43/04/69/535430469.db2.gz AIIZGVJTSBVTNS-UHFFFAOYSA-N 1 2 345.406 3.117 10 30 EGEELO CCOC(=O)[C@H](CCC(C)(C)C)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000342798257 535651718 /nfs/dbraw/zinc/65/17/18/535651718.db2.gz TWOAAAJAAQQCHX-INIZCTEOSA-N 1 2 342.443 3.054 10 30 EGEELO [O-]C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329625499 547503054 /nfs/dbraw/zinc/50/30/54/547503054.db2.gz STZVVUFKHVCMBA-SRVKXCTJSA-N 1 2 344.381 3.139 10 30 EGEELO [O-]C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329625499 547503059 /nfs/dbraw/zinc/50/30/59/547503059.db2.gz STZVVUFKHVCMBA-SRVKXCTJSA-N 1 2 344.381 3.139 10 30 EGEELO C=C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000678634188 549535348 /nfs/dbraw/zinc/53/53/48/549535348.db2.gz HHDOARQYYBCUKW-IUIKQTSFSA-N 1 2 339.842 3.488 10 30 EGEELO C=C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000678634188 549535350 /nfs/dbraw/zinc/53/53/50/549535350.db2.gz HHDOARQYYBCUKW-IUIKQTSFSA-N 1 2 339.842 3.488 10 30 EGEELO Cc1nc2sc3c(c2c(N=NCc2[nH+]ccn2C)n1)CCCC3 ZINC000727254422 574655993 /nfs/dbraw/zinc/65/59/93/574655993.db2.gz SHMCDYYPMLWPNF-UHFFFAOYSA-N 1 2 326.429 3.058 10 30 EGEELO COC(=O)[C@@H]([NH2+]CCc1c[nH]c2cccc(C)c12)c1ccc(C#N)cc1 ZINC000739993579 576529544 /nfs/dbraw/zinc/52/95/44/576529544.db2.gz DMUIDCWDVNZEOQ-FQEVSTJZSA-N 1 2 347.418 3.394 10 30 EGEELO Fc1cccc(N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)c1F ZINC000743443038 576809289 /nfs/dbraw/zinc/80/92/89/576809289.db2.gz NTYLFJSOVQLGQP-UHFFFAOYSA-N 1 2 335.329 3.387 10 30 EGEELO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1cccc(C#N)c1O ZINC000872129156 1296753343 /nfs/dbraw/zinc/75/33/43/1296753343.db2.gz VHJGALQIEGARNL-LRDDRELGSA-N 1 2 330.815 3.171 10 30 EGEELO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872268571 1296872487 /nfs/dbraw/zinc/87/24/87/1296872487.db2.gz FFYCMWKSCFRORT-AWEZNQCLSA-N 1 2 330.762 3.098 10 30 EGEELO N#CCOc1ccc(Cl)cc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872268571 1296872507 /nfs/dbraw/zinc/87/25/07/1296872507.db2.gz FFYCMWKSCFRORT-AWEZNQCLSA-N 1 2 330.762 3.098 10 30 EGEELO c1ccc(-c2nnc(N=NC3CCC[N@H+]4CCSC[C@@H]34)s2)cc1 ZINC000872379045 1296932236 /nfs/dbraw/zinc/93/22/36/1296932236.db2.gz VSCYIRWIUMCKTJ-AWEZNQCLSA-N 1 2 345.497 3.184 10 30 EGEELO c1ccc(-c2nnc(N=NC3CCC[N@@H+]4CCSC[C@@H]34)s2)cc1 ZINC000872379045 1296932247 /nfs/dbraw/zinc/93/22/47/1296932247.db2.gz VSCYIRWIUMCKTJ-AWEZNQCLSA-N 1 2 345.497 3.184 10 30 EGEELO C#CCn1ccc(C[N@H+](CC)Cc2cc3c(ccnc3Cl)o2)n1 ZINC000877484334 1299335784 /nfs/dbraw/zinc/33/57/84/1299335784.db2.gz CTHUZRJGAZEGKI-UHFFFAOYSA-N 1 2 328.803 3.333 10 30 EGEELO C#CCn1ccc(C[N@@H+](CC)Cc2cc3c(ccnc3Cl)o2)n1 ZINC000877484334 1299335793 /nfs/dbraw/zinc/33/57/93/1299335793.db2.gz CTHUZRJGAZEGKI-UHFFFAOYSA-N 1 2 328.803 3.333 10 30 EGEELO C#CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000886359370 1303447493 /nfs/dbraw/zinc/44/74/93/1303447493.db2.gz BCJMHMWLXDRXEB-ZDUSSCGKSA-N 1 2 335.245 3.041 10 30 EGEELO C#CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000886359370 1303447498 /nfs/dbraw/zinc/44/74/98/1303447498.db2.gz BCJMHMWLXDRXEB-ZDUSSCGKSA-N 1 2 335.245 3.041 10 30 EGEELO C#CC1(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CCCC1 ZINC000889540165 1304516520 /nfs/dbraw/zinc/51/65/20/1304516520.db2.gz SDEDNNMZNVIMHJ-WKILWMFISA-N 1 2 326.444 3.050 10 30 EGEELO C#C[C@@H]1CCCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000929332259 1328570303 /nfs/dbraw/zinc/57/03/03/1328570303.db2.gz PAOWKULTVDFVPE-GOEBONIOSA-N 1 2 346.500 3.395 10 30 EGEELO C#C[C@@H]1CCCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000929332259 1328570308 /nfs/dbraw/zinc/57/03/08/1328570308.db2.gz PAOWKULTVDFVPE-GOEBONIOSA-N 1 2 346.500 3.395 10 30 EGEELO C=CC(C)(C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000929768729 1328694174 /nfs/dbraw/zinc/69/41/74/1328694174.db2.gz KQSCQAXMBLYNJN-GASCZTMLSA-N 1 2 331.460 3.382 10 30 EGEELO C=CC(C)(C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000929768729 1328694180 /nfs/dbraw/zinc/69/41/80/1328694180.db2.gz KQSCQAXMBLYNJN-GASCZTMLSA-N 1 2 331.460 3.382 10 30 EGEELO C#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000929829432 1328712673 /nfs/dbraw/zinc/71/26/73/1328712673.db2.gz RFHYCCHNEZEDOO-GOSISDBHSA-N 1 2 340.448 3.132 10 30 EGEELO C#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000929829432 1328712676 /nfs/dbraw/zinc/71/26/76/1328712676.db2.gz RFHYCCHNEZEDOO-GOSISDBHSA-N 1 2 340.448 3.132 10 30 EGEELO Fc1ccc(NC(=S)NN=C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000915942919 1319568547 /nfs/dbraw/zinc/56/85/47/1319568547.db2.gz NIBOHIACJPACIL-UHFFFAOYSA-N 1 2 343.431 3.164 10 30 EGEELO CCOc1cccc(/C=N\C2CCN(c3cccc[nH+]3)CC2)c1O ZINC000915980183 1319578001 /nfs/dbraw/zinc/57/80/01/1319578001.db2.gz YKNFDNKVWSTMKN-STZFKDTASA-N 1 2 325.412 3.274 10 30 EGEELO C=CCCC[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccccc1 ZINC000921643512 1322369127 /nfs/dbraw/zinc/36/91/27/1322369127.db2.gz DRBBAORGEHCBBU-ICEKFOEVSA-N 1 2 328.456 3.089 10 30 EGEELO Cc1[nH]c(-c2ccc(NC(=O)c3cnn(CCC#N)c3C)cc2)[nH+]c1C ZINC000921665677 1322373950 /nfs/dbraw/zinc/37/39/50/1322373950.db2.gz QBGIXYQMNKIJJR-UHFFFAOYSA-N 1 2 348.410 3.364 10 30 EGEELO CC[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cccc(C#N)c1O ZINC000924629302 1323083863 /nfs/dbraw/zinc/08/38/63/1323083863.db2.gz QDCNMAFPXCHXFC-SFHVURJKSA-N 1 2 336.439 3.500 10 30 EGEELO CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(C#N)c1O ZINC000926290322 1325505709 /nfs/dbraw/zinc/50/57/09/1325505709.db2.gz MDHNQKCTBAUQKH-LBPRGKRZSA-N 1 2 334.313 3.222 10 30 EGEELO CC[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cccc(C#N)c1O ZINC000926328916 1325517729 /nfs/dbraw/zinc/51/77/29/1325517729.db2.gz PMAYGJCENDCMKC-SWLSCSKDSA-N 1 2 333.432 3.218 10 30 EGEELO C#CC[N@H+]1CCC[C@H]1COC(=O)c1sc2ncccc2c1Cl ZINC000860530024 1329327429 /nfs/dbraw/zinc/32/74/29/1329327429.db2.gz PLHZGYNAOIUXHA-NSHDSACASA-N 1 2 334.828 3.204 10 30 EGEELO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1sc2ncccc2c1Cl ZINC000860530024 1329327431 /nfs/dbraw/zinc/32/74/31/1329327431.db2.gz PLHZGYNAOIUXHA-NSHDSACASA-N 1 2 334.828 3.204 10 30 EGEELO CC[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cccc(C#N)c1O ZINC000926662200 1327657150 /nfs/dbraw/zinc/65/71/50/1327657150.db2.gz PWVFHASXQDCJJL-DLBZAZTESA-N 1 2 337.423 3.081 10 30 EGEELO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc(C#N)c1O ZINC000926917993 1327775531 /nfs/dbraw/zinc/77/55/31/1327775531.db2.gz XRIWFGKUBNRVLM-JKOKRWQUSA-N 1 2 328.334 3.414 10 30 EGEELO N#CCCc1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000928401502 1328308222 /nfs/dbraw/zinc/30/82/22/1328308222.db2.gz YPWPEJDITRUOIQ-CQSZACIVSA-N 1 2 336.317 3.471 10 30 EGEELO C#CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(C)C ZINC000932384759 1329810795 /nfs/dbraw/zinc/81/07/95/1329810795.db2.gz XRMFWWADHUNEMT-UHFFFAOYSA-N 1 2 334.763 3.142 10 30 EGEELO C#CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(C)C ZINC000932384759 1329810796 /nfs/dbraw/zinc/81/07/96/1329810796.db2.gz XRMFWWADHUNEMT-UHFFFAOYSA-N 1 2 334.763 3.142 10 30 EGEELO C=C(Br)C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000933077401 1329860061 /nfs/dbraw/zinc/86/00/61/1329860061.db2.gz ZYIOPOCEXZPZPQ-CQSZACIVSA-N 1 2 338.245 3.246 10 30 EGEELO C=CCCn1cc(C[N@@H+]2CCC[C@]3(C=Cc4ccccc4O3)C2)nn1 ZINC000933656866 1329910179 /nfs/dbraw/zinc/91/01/79/1329910179.db2.gz RBUDFLYDHUYTGD-FQEVSTJZSA-N 1 2 336.439 3.295 10 30 EGEELO C=CCCn1cc(C[N@H+]2CCC[C@]3(C=Cc4ccccc4O3)C2)nn1 ZINC000933656866 1329910181 /nfs/dbraw/zinc/91/01/81/1329910181.db2.gz RBUDFLYDHUYTGD-FQEVSTJZSA-N 1 2 336.439 3.295 10 30 EGEELO C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1cccc(C#N)c1O ZINC000866212983 1330079275 /nfs/dbraw/zinc/07/92/75/1330079275.db2.gz LVWFIEDNHHUDIA-UGSOOPFHSA-N 1 2 327.403 3.356 10 30 EGEELO CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866270156 1330088049 /nfs/dbraw/zinc/08/80/49/1330088049.db2.gz SFKUMJJFMLXTOU-IFXJQAMLSA-N 1 2 340.423 3.435 10 30 EGEELO C[C@@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1cccc(C#N)c1O ZINC000866295744 1330092118 /nfs/dbraw/zinc/09/21/18/1330092118.db2.gz IXUIYIQXPZVVBO-OAHLLOKOSA-N 1 2 349.434 3.284 10 30 EGEELO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)CC2(C)C)C1 ZINC000941017556 1331295278 /nfs/dbraw/zinc/29/52/78/1331295278.db2.gz OTCXXSAJMSZEKY-HNNXBMFYSA-N 1 2 333.501 3.216 10 30 EGEELO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)CC2(C)C)C1 ZINC000941017556 1331295281 /nfs/dbraw/zinc/29/52/81/1331295281.db2.gz OTCXXSAJMSZEKY-HNNXBMFYSA-N 1 2 333.501 3.216 10 30 EGEELO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C1(C(F)F)CCCC1 ZINC001323287006 1387323278 /nfs/dbraw/zinc/32/32/78/1387323278.db2.gz KNNQRFBWUASOAX-KRWDZBQOSA-N 1 2 346.421 3.054 10 30 EGEELO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C1(C(F)F)CCCC1 ZINC001323287006 1387323281 /nfs/dbraw/zinc/32/32/81/1387323281.db2.gz KNNQRFBWUASOAX-KRWDZBQOSA-N 1 2 346.421 3.054 10 30 EGEELO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)c1ccsc1 ZINC001323301415 1387328006 /nfs/dbraw/zinc/32/80/06/1387328006.db2.gz HTRFRXOHTUKWGD-JSGCOSHPSA-N 1 2 345.493 3.175 10 30 EGEELO C[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)c1ccsc1 ZINC001323301415 1387328011 /nfs/dbraw/zinc/32/80/11/1387328011.db2.gz HTRFRXOHTUKWGD-JSGCOSHPSA-N 1 2 345.493 3.175 10 30 EGEELO C=CCC1(C(=O)NCC2([NH2+][C@@H](C)c3ncc(C)o3)CC2)CCCC1 ZINC001323624457 1387410470 /nfs/dbraw/zinc/41/04/70/1387410470.db2.gz OTYLHHFVRFIKKP-HNNXBMFYSA-N 1 2 331.460 3.419 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)C1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001323931153 1387497931 /nfs/dbraw/zinc/49/79/31/1387497931.db2.gz LCLCEMYFWBTBON-UHFFFAOYSA-N 1 2 337.467 3.480 10 30 EGEELO C=CCC(CC=C)C(=O)NC1(C)CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001324318589 1387590421 /nfs/dbraw/zinc/59/04/21/1387590421.db2.gz NEHGPSMNBVMHKD-AWEZNQCLSA-N 1 2 346.475 3.178 10 30 EGEELO C#CCN(C(=O)[C@H]1CC12CC2)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001324427391 1387621301 /nfs/dbraw/zinc/62/13/01/1387621301.db2.gz XWRGMXUVMGAVMW-BMOGTNHUSA-N 1 2 341.282 3.032 10 30 EGEELO C=CCO[C@H]1CC[N@@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC001325222051 1387917004 /nfs/dbraw/zinc/91/70/04/1387917004.db2.gz DVTJLLWJSODFOR-YPMHNXCESA-N 1 2 333.457 3.352 10 30 EGEELO C=CCO[C@H]1CC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC001325222051 1387917011 /nfs/dbraw/zinc/91/70/11/1387917011.db2.gz DVTJLLWJSODFOR-YPMHNXCESA-N 1 2 333.457 3.352 10 30 EGEELO COC(=O)c1cccc2c1OCC[N@@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC001198288987 1368998134 /nfs/dbraw/zinc/99/81/34/1368998134.db2.gz JSOGDNKDCKXFLA-AWEZNQCLSA-N 1 2 336.391 3.300 10 30 EGEELO COC(=O)c1cccc2c1OCC[N@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC001198288987 1368998137 /nfs/dbraw/zinc/99/81/37/1368998137.db2.gz JSOGDNKDCKXFLA-AWEZNQCLSA-N 1 2 336.391 3.300 10 30 EGEELO C=CCCO[C@H](C)C(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001124085416 1372670456 /nfs/dbraw/zinc/67/04/56/1372670456.db2.gz IULIQBLSABSMJD-CVEARBPZSA-N 1 2 333.476 3.325 10 30 EGEELO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(CCC)s1 ZINC001326631407 1388262836 /nfs/dbraw/zinc/26/28/36/1388262836.db2.gz DIDXYJMKXHZQBW-HNNXBMFYSA-N 1 2 336.501 3.097 10 30 EGEELO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(CCC)s1 ZINC001326631407 1388262837 /nfs/dbraw/zinc/26/28/37/1388262837.db2.gz DIDXYJMKXHZQBW-HNNXBMFYSA-N 1 2 336.501 3.097 10 30 EGEELO C=CCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001326654791 1388268555 /nfs/dbraw/zinc/26/85/55/1388268555.db2.gz KUKFAFSKTCSSTR-SFHVURJKSA-N 1 2 348.462 3.311 10 30 EGEELO C=CCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001326654791 1388268558 /nfs/dbraw/zinc/26/85/58/1388268558.db2.gz KUKFAFSKTCSSTR-SFHVURJKSA-N 1 2 348.462 3.311 10 30 EGEELO C=CCC[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1CC)c1ccccc1 ZINC001224523441 1375069143 /nfs/dbraw/zinc/06/91/43/1375069143.db2.gz VCQNCIPGLUNGEX-MOPGFXCFSA-N 1 2 345.487 3.104 10 30 EGEELO C=CCC[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1CC)c1ccccc1 ZINC001224523441 1375069145 /nfs/dbraw/zinc/06/91/45/1375069145.db2.gz VCQNCIPGLUNGEX-MOPGFXCFSA-N 1 2 345.487 3.104 10 30 EGEELO C#CCCCCNC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001230339615 1376002947 /nfs/dbraw/zinc/00/29/47/1376002947.db2.gz GYMAUBWIYLYACL-LJQANCHMSA-N 1 2 345.462 3.408 10 30 EGEELO C[C@H](CC(=O)Nc1cccc(C#Cc2ccccn2)c1)n1cc[nH+]c1 ZINC001136011935 1377299717 /nfs/dbraw/zinc/29/97/17/1377299717.db2.gz VOLDFVDLSVQVJD-MRXNPFEDSA-N 1 2 330.391 3.268 10 30 EGEELO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC001266492803 1377321330 /nfs/dbraw/zinc/32/13/30/1377321330.db2.gz XAUQQQNWGGEHPK-HZPDHXFCSA-N 1 2 336.863 3.095 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC001266492803 1377321331 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ZINC001317970704 1385592397 /nfs/dbraw/zinc/59/23/97/1385592397.db2.gz JJNOBGSGZGGBER-WBVHZDCISA-N 1 2 331.460 3.393 10 30 EGEELO C#CCCCCCC(=O)NC1C[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001318052757 1385618006 /nfs/dbraw/zinc/61/80/06/1385618006.db2.gz PKAUZRNIGPPKIE-IBGZPJMESA-N 1 2 328.431 3.197 10 30 EGEELO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccn(C(C)C)n3)C2)CCC1 ZINC001318429970 1385685538 /nfs/dbraw/zinc/68/55/38/1385685538.db2.gz VPPDPCMTMQCYOO-GOSISDBHSA-N 1 2 344.503 3.243 10 30 EGEELO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccn(C(C)C)n3)C2)CCC1 ZINC001318429970 1385685543 /nfs/dbraw/zinc/68/55/43/1385685543.db2.gz VPPDPCMTMQCYOO-GOSISDBHSA-N 1 2 344.503 3.243 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@H+](CC(=C)Br)C1 ZINC001318429263 1385685661 /nfs/dbraw/zinc/68/56/61/1385685661.db2.gz QKWWWIRGASCKQN-HIFRSBDPSA-N 1 2 329.282 3.030 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=C)Br)C1 ZINC001318429263 1385685665 /nfs/dbraw/zinc/68/56/65/1385685665.db2.gz QKWWWIRGASCKQN-HIFRSBDPSA-N 1 2 329.282 3.030 10 30 EGEELO C=CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1nocc1C)c1ccccc1 ZINC001322299207 1387148714 /nfs/dbraw/zinc/14/87/14/1387148714.db2.gz UAAAZURBEMAVKS-SJLPKXTDSA-N 1 2 341.455 3.279 10 30 EGEELO C=CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1nocc1C)c1ccccc1 ZINC001322299207 1387148717 /nfs/dbraw/zinc/14/87/17/1387148717.db2.gz UAAAZURBEMAVKS-SJLPKXTDSA-N 1 2 341.455 3.279 10 30 EGEELO C=CCCC(=O)NC[C@H](C)[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC001329397158 1389097464 /nfs/dbraw/zinc/09/74/64/1389097464.db2.gz NSKNUOVIMJDJNL-ZDUSSCGKSA-N 1 2 333.457 3.306 10 30 EGEELO C=CCCC(=O)NC[C@H](C)[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC001329397158 1389097470 /nfs/dbraw/zinc/09/74/70/1389097470.db2.gz NSKNUOVIMJDJNL-ZDUSSCGKSA-N 1 2 333.457 3.306 10 30 EGEELO C[C@H](CNC(=O)[C@H]1CCC(C)(C)C1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001329538234 1389147552 /nfs/dbraw/zinc/14/75/52/1389147552.db2.gz AMDPXAFBMKYHAD-CABCVRRESA-N 1 2 345.462 3.460 10 30 EGEELO C[C@H](CNC(=O)[C@H]1CCC(C)(C)C1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001329538234 1389147554 /nfs/dbraw/zinc/14/75/54/1389147554.db2.gz AMDPXAFBMKYHAD-CABCVRRESA-N 1 2 345.462 3.460 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@H](C)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001329998088 1389282092 /nfs/dbraw/zinc/28/20/92/1389282092.db2.gz BNFSVZIALBLXLF-CQSZACIVSA-N 1 2 347.890 3.440 10 30 EGEELO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[C@H](C)c3ccccc3)C2)C1 ZINC001330159709 1389319323 /nfs/dbraw/zinc/31/93/23/1389319323.db2.gz HJCNQSGOOYPOQD-GHTZIAJQSA-N 1 2 342.483 3.060 10 30 EGEELO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC[C@H](C)c3ccccc3)C2)C1 ZINC001330159709 1389319333 /nfs/dbraw/zinc/31/93/33/1389319333.db2.gz HJCNQSGOOYPOQD-GHTZIAJQSA-N 1 2 342.483 3.060 10 30 EGEELO C=CCN(c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1CC=C)C1CC1 ZINC001339134072 1389915198 /nfs/dbraw/zinc/91/51/98/1389915198.db2.gz FQGSEFVEVIVYHX-QGZVFWFLSA-N 1 2 340.475 3.451 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cn2)[C@@H]1C ZINC001332206180 1390043241 /nfs/dbraw/zinc/04/32/41/1390043241.db2.gz NKWMKBHPNIWYEV-RHSMWYFYSA-N 1 2 333.451 3.292 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)[C@@H]1C ZINC001332206180 1390043246 /nfs/dbraw/zinc/04/32/46/1390043246.db2.gz NKWMKBHPNIWYEV-RHSMWYFYSA-N 1 2 333.451 3.292 10 30 EGEELO C=C[C@H](CC)CC(=O)N(C)C1CC([NH2+]Cc2noc(C3CCC3)n2)C1 ZINC001333107828 1390250204 /nfs/dbraw/zinc/25/02/04/1390250204.db2.gz NFZHDXALDZTKBM-IUDNXUCKSA-N 1 2 346.475 3.018 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(CC)c2)CCO1 ZINC001698792626 1406457191 /nfs/dbraw/zinc/45/71/91/1406457191.db2.gz TVDVBWQASKKGDR-TZIWHRDSSA-N 1 2 344.499 3.168 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(CC)c2)CCO1 ZINC001698792626 1406457194 /nfs/dbraw/zinc/45/71/94/1406457194.db2.gz TVDVBWQASKKGDR-TZIWHRDSSA-N 1 2 344.499 3.168 10 30 EGEELO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2coc(C#N)c2)C1 ZINC001347536886 1391089337 /nfs/dbraw/zinc/08/93/37/1391089337.db2.gz UNRCUKYMDPCXJD-ZDUSSCGKSA-N 1 2 326.400 3.123 10 30 EGEELO N#Cc1cccc(C(=O)Nc2cccc3[nH+]ccn32)c1Br ZINC001353493808 1392022832 /nfs/dbraw/zinc/02/28/32/1392022832.db2.gz ANQLAYKVJSTZRQ-UHFFFAOYSA-N 1 2 341.168 3.221 10 30 EGEELO CN(C[C@H]1CC[NH+]1Cc1ccc(C#N)s1)C(=O)[C@]1(C)C=CCC1 ZINC001479238598 1392199201 /nfs/dbraw/zinc/19/92/01/1392199201.db2.gz ZGRICUCZGZSWEJ-RDTXWAMCSA-N 1 2 329.469 3.009 10 30 EGEELO CCCCCCCCCN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001479595331 1392284268 /nfs/dbraw/zinc/28/42/68/1392284268.db2.gz JPTQKWWJYFYFJM-ROUUACIJSA-N 1 2 340.556 3.013 10 30 EGEELO CCCCCCCCCN(C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001479595331 1392284270 /nfs/dbraw/zinc/28/42/70/1392284270.db2.gz JPTQKWWJYFYFJM-ROUUACIJSA-N 1 2 340.556 3.013 10 30 EGEELO CC[C@@H]1[C@@H](NC(=O)CCC2CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001479633132 1392298057 /nfs/dbraw/zinc/29/80/57/1392298057.db2.gz XHSBQXXVRLAJTC-RBUKOAKNSA-N 1 2 343.446 3.357 10 30 EGEELO CC[C@@H]1[C@@H](NC(=O)CCC2CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001479633132 1392298061 /nfs/dbraw/zinc/29/80/61/1392298061.db2.gz XHSBQXXVRLAJTC-RBUKOAKNSA-N 1 2 343.446 3.357 10 30 EGEELO COc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001479903310 1392470418 /nfs/dbraw/zinc/47/04/18/1392470418.db2.gz PBNRJBVNSIVBRE-OAHLLOKOSA-N 1 2 348.874 3.089 10 30 EGEELO COc1cccc(Cl)c1C[N@H+]1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001479903310 1392470433 /nfs/dbraw/zinc/47/04/33/1392470433.db2.gz PBNRJBVNSIVBRE-OAHLLOKOSA-N 1 2 348.874 3.089 10 30 EGEELO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)ccc1Cl ZINC001479951834 1392490418 /nfs/dbraw/zinc/49/04/18/1392490418.db2.gz ABPVDYVFVPOAIN-OAHLLOKOSA-N 1 2 348.874 3.089 10 30 EGEELO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)ccc1Cl ZINC001479951834 1392490421 /nfs/dbraw/zinc/49/04/21/1392490421.db2.gz ABPVDYVFVPOAIN-OAHLLOKOSA-N 1 2 348.874 3.089 10 30 EGEELO C=C/C(C)=C/CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001481051383 1393106732 /nfs/dbraw/zinc/10/67/32/1393106732.db2.gz CBFBRQWQNDZCOS-MIGROESCSA-N 1 2 341.430 3.300 10 30 EGEELO C=C/C(C)=C/CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001481051383 1393106733 /nfs/dbraw/zinc/10/67/33/1393106733.db2.gz CBFBRQWQNDZCOS-MIGROESCSA-N 1 2 341.430 3.300 10 30 EGEELO CC#CCCCC(=O)NCC[N@H+](Cc1cccc(F)c1F)C1CC1 ZINC001481181682 1393143698 /nfs/dbraw/zinc/14/36/98/1393143698.db2.gz DZWWQPYWIJHQKM-UHFFFAOYSA-N 1 2 334.410 3.239 10 30 EGEELO CC#CCCCC(=O)NCC[N@@H+](Cc1cccc(F)c1F)C1CC1 ZINC001481181682 1393143699 /nfs/dbraw/zinc/14/36/99/1393143699.db2.gz DZWWQPYWIJHQKM-UHFFFAOYSA-N 1 2 334.410 3.239 10 30 EGEELO C=CCCC(=O)N(CCC)C1CC[NH+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001490612945 1394282625 /nfs/dbraw/zinc/28/26/25/1394282625.db2.gz PUXCBDHGRRFNJL-HNNXBMFYSA-N 1 2 348.491 3.362 10 30 EGEELO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCc1ccccc1F ZINC001490800493 1394349994 /nfs/dbraw/zinc/34/99/94/1394349994.db2.gz PFVAUHOYMUUZGV-YTQUADARSA-N 1 2 342.458 3.093 10 30 EGEELO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCc1ccccc1F ZINC001490800493 1394350001 /nfs/dbraw/zinc/35/00/01/1394350001.db2.gz PFVAUHOYMUUZGV-YTQUADARSA-N 1 2 342.458 3.093 10 30 EGEELO C=CCC(CC=C)C(=O)NC1C[NH+](Cc2cccc3cccnc32)C1 ZINC001481561733 1394407778 /nfs/dbraw/zinc/40/77/78/1394407778.db2.gz SXGLAQGIDVLNHO-UHFFFAOYSA-N 1 2 335.451 3.304 10 30 EGEELO C=CCCCC(=O)NCC1C[NH+](Cc2cc(-c3ccccc3)on2)C1 ZINC001481642529 1394429543 /nfs/dbraw/zinc/42/95/43/1394429543.db2.gz HOYSOTXTQXLJEJ-UHFFFAOYSA-N 1 2 339.439 3.246 10 30 EGEELO CC[C@@H](CC(C)C)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001481695048 1394456353 /nfs/dbraw/zinc/45/63/53/1394456353.db2.gz QPIVVRNEDHGDID-WMZOPIPTSA-N 1 2 345.462 3.460 10 30 EGEELO CC[C@@H](CC(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001481695048 1394456355 /nfs/dbraw/zinc/45/63/55/1394456355.db2.gz QPIVVRNEDHGDID-WMZOPIPTSA-N 1 2 345.462 3.460 10 30 EGEELO CC(C)CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001481707884 1394466261 /nfs/dbraw/zinc/46/62/61/1394466261.db2.gz GQRFJQWBKIDGFV-LJQANCHMSA-N 1 2 344.474 3.440 10 30 EGEELO CC(C)CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001481707884 1394466263 /nfs/dbraw/zinc/46/62/63/1394466263.db2.gz GQRFJQWBKIDGFV-LJQANCHMSA-N 1 2 344.474 3.440 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1noc2c1CCCC2 ZINC001491219606 1394478254 /nfs/dbraw/zinc/47/82/54/1394478254.db2.gz VHOQWYHFDUURMT-HNNXBMFYSA-N 1 2 345.487 3.236 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1noc2c1CCCC2 ZINC001491219606 1394478258 /nfs/dbraw/zinc/47/82/58/1394478258.db2.gz VHOQWYHFDUURMT-HNNXBMFYSA-N 1 2 345.487 3.236 10 30 EGEELO CC#CCCCC(=O)N1CC[C@]2(CC[N@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001483845603 1395111857 /nfs/dbraw/zinc/11/18/57/1395111857.db2.gz PMTCPGAILYDAQB-HKBKRHGFSA-N 1 2 343.298 3.423 10 30 EGEELO CC#CCCCC(=O)N1CC[C@]2(CC[N@@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001483845603 1395111858 /nfs/dbraw/zinc/11/18/58/1395111858.db2.gz PMTCPGAILYDAQB-HKBKRHGFSA-N 1 2 343.298 3.423 10 30 EGEELO C=C[C@@H](CC)CC(=O)N(C)C1C[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC001483877227 1395124827 /nfs/dbraw/zinc/12/48/27/1395124827.db2.gz GKZGQWAXJRGTBE-INIZCTEOSA-N 1 2 330.472 3.249 10 30 EGEELO C=C(C)CCC(=O)NC1(C)CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001483966515 1395166936 /nfs/dbraw/zinc/16/69/36/1395166936.db2.gz VECNCGPCMOVNJO-ZDUSSCGKSA-N 1 2 336.505 3.235 10 30 EGEELO C=CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001484453532 1395391381 /nfs/dbraw/zinc/39/13/81/1395391381.db2.gz NUQMHGUKSAFXDO-OALUTQOASA-N 1 2 341.430 3.229 10 30 EGEELO C=CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001484453532 1395391388 /nfs/dbraw/zinc/39/13/88/1395391388.db2.gz NUQMHGUKSAFXDO-OALUTQOASA-N 1 2 341.430 3.229 10 30 EGEELO C#CCCCC(=O)N(C)CC[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC001698984488 1406765582 /nfs/dbraw/zinc/76/55/82/1406765582.db2.gz BPPZRSJGHDTDFL-UHFFFAOYSA-N 1 2 345.468 3.097 10 30 EGEELO C#CCCCC(=O)N(C)CC[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC001698984488 1406765589 /nfs/dbraw/zinc/76/55/89/1406765589.db2.gz BPPZRSJGHDTDFL-UHFFFAOYSA-N 1 2 345.468 3.097 10 30 EGEELO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C(CCC)CCC ZINC001484822453 1395558856 /nfs/dbraw/zinc/55/88/56/1395558856.db2.gz FHLWPKMMKOTHOK-FQEVSTJZSA-N 1 2 326.484 3.379 10 30 EGEELO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C(CCC)CCC ZINC001484822453 1395558862 /nfs/dbraw/zinc/55/88/62/1395558862.db2.gz FHLWPKMMKOTHOK-FQEVSTJZSA-N 1 2 326.484 3.379 10 30 EGEELO C#CCCCC(=O)N(C)CC[N@@H+](C)Cc1cc(OC)ccc1Cl ZINC001698985406 1406768252 /nfs/dbraw/zinc/76/82/52/1406768252.db2.gz PTMZVLKZVWDDOK-UHFFFAOYSA-N 1 2 336.863 3.042 10 30 EGEELO C#CCCCC(=O)N(C)CC[N@H+](C)Cc1cc(OC)ccc1Cl ZINC001698985406 1406768256 /nfs/dbraw/zinc/76/82/56/1406768256.db2.gz PTMZVLKZVWDDOK-UHFFFAOYSA-N 1 2 336.863 3.042 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2nc(C3CC3)no2)[C@@H](C)C1 ZINC001484984327 1395627114 /nfs/dbraw/zinc/62/71/14/1395627114.db2.gz SYTPJUPHMLPBCP-DZGCQCFKSA-N 1 2 346.475 3.018 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C3CC3)no2)[C@@H](C)C1 ZINC001484984327 1395627119 /nfs/dbraw/zinc/62/71/19/1395627119.db2.gz SYTPJUPHMLPBCP-DZGCQCFKSA-N 1 2 346.475 3.018 10 30 EGEELO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@]1(C)CC=CCC1 ZINC001698987991 1406772608 /nfs/dbraw/zinc/77/26/08/1406772608.db2.gz LCKQQMYQIYWDHZ-HXUWFJFHSA-N 1 2 325.456 3.195 10 30 EGEELO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@]1(C)CC=CCC1 ZINC001698987991 1406772611 /nfs/dbraw/zinc/77/26/11/1406772611.db2.gz LCKQQMYQIYWDHZ-HXUWFJFHSA-N 1 2 325.456 3.195 10 30 EGEELO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001485388722 1395877073 /nfs/dbraw/zinc/87/70/73/1395877073.db2.gz RNLCSIKOPVEOAI-NEPJUHHUSA-N 1 2 330.806 3.257 10 30 EGEELO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001485388722 1395877078 /nfs/dbraw/zinc/87/70/78/1395877078.db2.gz RNLCSIKOPVEOAI-NEPJUHHUSA-N 1 2 330.806 3.257 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@H](C)C1C[NH+]([C@H](C)c2ncc(C)o2)C1 ZINC001485508156 1395985943 /nfs/dbraw/zinc/98/59/43/1395985943.db2.gz YRXQMFWXKDKAOS-HUUCEWRRSA-N 1 2 331.460 3.249 10 30 EGEELO C=CCCC(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC1(C)C ZINC001485565340 1396026609 /nfs/dbraw/zinc/02/66/09/1396026609.db2.gz XABSVIAYXKPFGS-SFHVURJKSA-N 1 2 344.886 3.484 10 30 EGEELO C=CCCC(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CC1(C)C ZINC001485565340 1396026613 /nfs/dbraw/zinc/02/66/13/1396026613.db2.gz XABSVIAYXKPFGS-SFHVURJKSA-N 1 2 344.886 3.484 10 30 EGEELO CC(C)c1ocnc1C[N@@H+]1C[C@H](NC(=O)C#CC(C)(C)C)C(C)(C)C1 ZINC001485568871 1396031205 /nfs/dbraw/zinc/03/12/05/1396031205.db2.gz GVSSHVSFLVUPPC-INIZCTEOSA-N 1 2 345.487 3.174 10 30 EGEELO CC(C)c1ocnc1C[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)C(C)(C)C1 ZINC001485568871 1396031209 /nfs/dbraw/zinc/03/12/09/1396031209.db2.gz GVSSHVSFLVUPPC-INIZCTEOSA-N 1 2 345.487 3.174 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)[C@@H](C)C1 ZINC001502968774 1396235583 /nfs/dbraw/zinc/23/55/83/1396235583.db2.gz MXFZFZHCLKRFDY-DOTOQJQBSA-N 1 2 343.471 3.215 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)[C@@H](C)C1 ZINC001502968774 1396235585 /nfs/dbraw/zinc/23/55/85/1396235585.db2.gz MXFZFZHCLKRFDY-DOTOQJQBSA-N 1 2 343.471 3.215 10 30 EGEELO C=CCC(CC=C)C(=O)NCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001494556010 1396467980 /nfs/dbraw/zinc/46/79/80/1396467980.db2.gz SGEXQYGTUVGSHP-UHFFFAOYSA-N 1 2 333.863 3.051 10 30 EGEELO CC(C)=C(C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001494841769 1396499243 /nfs/dbraw/zinc/49/92/43/1396499243.db2.gz BGZPWPUOJXCOKH-LJQANCHMSA-N 1 2 343.446 3.476 10 30 EGEELO CC(C)=C(C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001494841769 1396499245 /nfs/dbraw/zinc/49/92/45/1396499245.db2.gz BGZPWPUOJXCOKH-LJQANCHMSA-N 1 2 343.446 3.476 10 30 EGEELO C=CC(C)(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)c1noc(C)n1 ZINC001689090219 1396893877 /nfs/dbraw/zinc/89/38/77/1396893877.db2.gz NHYIOFIHNSHQCV-YCPHGPKFSA-N 1 2 348.491 3.258 10 30 EGEELO C#CCCCCCC(=O)N[C@H]1CC[N@H+](Cc2nccs2)[C@@H]1CC ZINC001689182719 1396962209 /nfs/dbraw/zinc/96/22/09/1396962209.db2.gz IQRSYXASGCZIPI-JKSUJKDBSA-N 1 2 333.501 3.196 10 30 EGEELO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2nccs2)[C@@H]1CC ZINC001689182719 1396962212 /nfs/dbraw/zinc/96/22/12/1396962212.db2.gz IQRSYXASGCZIPI-JKSUJKDBSA-N 1 2 333.501 3.196 10 30 EGEELO C=C(C)CCC(=O)N1CCC[C@H]2C[N@H+](Cc3nnc(C)s3)CC[C@H]21 ZINC001690318922 1404477122 /nfs/dbraw/zinc/47/71/22/1404477122.db2.gz ZQOVHOJLERTHGT-JKSUJKDBSA-N 1 2 348.516 3.016 10 30 EGEELO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](Cc3nnc(C)s3)CC[C@H]21 ZINC001690318922 1404477124 /nfs/dbraw/zinc/47/71/24/1404477124.db2.gz ZQOVHOJLERTHGT-JKSUJKDBSA-N 1 2 348.516 3.016 10 30 EGEELO C=CC1(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3noc(C)n3)C2)CCCCC1 ZINC001690359428 1404493628 /nfs/dbraw/zinc/49/36/28/1404493628.db2.gz ARQMXQIPDCHBLT-CWRNSKLLSA-N 1 2 346.475 3.202 10 30 EGEELO C=C(C)CCC(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001690470309 1404595867 /nfs/dbraw/zinc/59/58/67/1404595867.db2.gz XWKKIFZEDOZQFQ-HNNXBMFYSA-N 1 2 348.491 3.194 10 30 EGEELO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)[C@@H](C)c1nc(-c2ccco2)no1 ZINC001690968090 1404874395 /nfs/dbraw/zinc/87/43/95/1404874395.db2.gz NSVQMVKBUVJWTI-ZDUSSCGKSA-N 1 2 346.431 3.041 10 30 EGEELO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)[C@@H](C)c1nc(-c2ccco2)no1 ZINC001690968090 1404874399 /nfs/dbraw/zinc/87/43/99/1404874399.db2.gz NSVQMVKBUVJWTI-ZDUSSCGKSA-N 1 2 346.431 3.041 10 30 EGEELO C=C1CC(C)(C(=O)N(C)C[C@H](C)[NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001725503477 1426185228 /nfs/dbraw/zinc/18/52/28/1426185228.db2.gz BPJMRLOKLSIIPC-UONOGXRCSA-N 1 2 334.464 3.047 10 30 EGEELO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001691062803 1404987494 /nfs/dbraw/zinc/98/74/94/1404987494.db2.gz VRVMYWBQEBXRAA-QGZVFWFLSA-N 1 2 343.446 3.332 10 30 EGEELO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001691062803 1404987496 /nfs/dbraw/zinc/98/74/96/1404987496.db2.gz VRVMYWBQEBXRAA-QGZVFWFLSA-N 1 2 343.446 3.332 10 30 EGEELO CC(C)N(CC[N@H+](C)CCC(F)(F)F)C(=O)C(F)C(F)(F)F ZINC001725726900 1426390260 /nfs/dbraw/zinc/39/02/60/1426390260.db2.gz BQFIXLDQRUXYCJ-VIFPVBQESA-N 1 2 340.283 3.008 10 30 EGEELO CC(C)N(CC[N@@H+](C)CCC(F)(F)F)C(=O)C(F)C(F)(F)F ZINC001725726900 1426390264 /nfs/dbraw/zinc/39/02/64/1426390264.db2.gz BQFIXLDQRUXYCJ-VIFPVBQESA-N 1 2 340.283 3.008 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001691398472 1405236127 /nfs/dbraw/zinc/23/61/27/1405236127.db2.gz CNNKLYBMFSBUFS-KSSFIOAISA-N 1 2 331.485 3.255 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001691398472 1405236130 /nfs/dbraw/zinc/23/61/30/1405236130.db2.gz CNNKLYBMFSBUFS-KSSFIOAISA-N 1 2 331.485 3.255 10 30 EGEELO CCCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccc(F)cc2)CC1 ZINC001691399286 1405237005 /nfs/dbraw/zinc/23/70/05/1405237005.db2.gz TYEZYYXIFMTUPP-IBGZPJMESA-N 1 2 342.458 3.290 10 30 EGEELO CCCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccc(F)cc2)CC1 ZINC001691399286 1405237007 /nfs/dbraw/zinc/23/70/07/1405237007.db2.gz TYEZYYXIFMTUPP-IBGZPJMESA-N 1 2 342.458 3.290 10 30 EGEELO C[C@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC001691416697 1405255509 /nfs/dbraw/zinc/25/55/09/1405255509.db2.gz OLTQZAIMZHSHHT-HIFRSBDPSA-N 1 2 331.485 3.089 10 30 EGEELO C[C@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC001691416697 1405255511 /nfs/dbraw/zinc/25/55/11/1405255511.db2.gz OLTQZAIMZHSHHT-HIFRSBDPSA-N 1 2 331.485 3.089 10 30 EGEELO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@@H+]1Cc1cc(Cl)ccc1F ZINC001691466123 1405286639 /nfs/dbraw/zinc/28/66/39/1405286639.db2.gz UHMCHGMQGIABFL-XFBWCDHKSA-N 1 2 337.826 3.108 10 30 EGEELO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CC[N@H+]1Cc1cc(Cl)ccc1F ZINC001691466123 1405286641 /nfs/dbraw/zinc/28/66/41/1405286641.db2.gz UHMCHGMQGIABFL-XFBWCDHKSA-N 1 2 337.826 3.108 10 30 EGEELO C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001691657519 1405391049 /nfs/dbraw/zinc/39/10/49/1405391049.db2.gz VVZVSQXSIHKENA-FXAWDEMLSA-N 1 2 343.446 3.332 10 30 EGEELO C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001691657519 1405391054 /nfs/dbraw/zinc/39/10/54/1405391054.db2.gz VVZVSQXSIHKENA-FXAWDEMLSA-N 1 2 343.446 3.332 10 30 EGEELO C=CCC1(C(=O)NC2C[NH+](CCc3ccc(OC)cc3)C2)CCCC1 ZINC001692274002 1405906537 /nfs/dbraw/zinc/90/65/37/1405906537.db2.gz LYIAEFMNUDOJJT-UHFFFAOYSA-N 1 2 342.483 3.175 10 30 EGEELO C=CCCCC(=O)NCC1C[NH+](Cc2cc(OC)ccc2Cl)C1 ZINC001692327386 1405946325 /nfs/dbraw/zinc/94/63/25/1405946325.db2.gz AHUAVRVSEYGUDB-UHFFFAOYSA-N 1 2 336.863 3.253 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](CC(=C)Br)[C@@H]1C ZINC001692386183 1405991397 /nfs/dbraw/zinc/99/13/97/1405991397.db2.gz RFLHWYCYDBYOOT-RDBSUJKOSA-N 1 2 329.282 3.076 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=C)Br)[C@@H]1C ZINC001692386183 1405991398 /nfs/dbraw/zinc/99/13/98/1405991398.db2.gz RFLHWYCYDBYOOT-RDBSUJKOSA-N 1 2 329.282 3.076 10 30 EGEELO C=CCCC[N@H+]1CC[C@H](N(C)C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC001698562611 1406162562 /nfs/dbraw/zinc/16/25/62/1406162562.db2.gz VSOMDCQCZKEQFL-ZDUSSCGKSA-N 1 2 336.867 3.053 10 30 EGEELO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC001698562611 1406162565 /nfs/dbraw/zinc/16/25/65/1406162565.db2.gz VSOMDCQCZKEQFL-ZDUSSCGKSA-N 1 2 336.867 3.053 10 30 EGEELO C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001732038246 1428262409 /nfs/dbraw/zinc/26/24/09/1428262409.db2.gz DOSFYZPMVFCKOK-IRXDYDNUSA-N 1 2 330.476 3.207 10 30 EGEELO C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001732038246 1428262410 /nfs/dbraw/zinc/26/24/10/1428262410.db2.gz DOSFYZPMVFCKOK-IRXDYDNUSA-N 1 2 330.476 3.207 10 30 EGEELO CC1(C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)CCCC1 ZINC001732131782 1428378636 /nfs/dbraw/zinc/37/86/36/1428378636.db2.gz BWECGXJJIQCRKY-UHFFFAOYSA-N 1 2 344.886 3.320 10 30 EGEELO C=C[C@@H](CC)CC(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001732132250 1428379114 /nfs/dbraw/zinc/37/91/14/1428379114.db2.gz YEACCQIPMCHWBR-INIZCTEOSA-N 1 2 344.886 3.342 10 30 EGEELO CC[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001732161139 1428403739 /nfs/dbraw/zinc/40/37/39/1428403739.db2.gz JKBLDTWKSHUWCR-KSSFIOAISA-N 1 2 331.435 3.166 10 30 EGEELO CC[C@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001732161139 1428403741 /nfs/dbraw/zinc/40/37/41/1428403741.db2.gz JKBLDTWKSHUWCR-KSSFIOAISA-N 1 2 331.435 3.166 10 30 EGEELO C=CCC1(C(=O)N[C@@H](C)CC[NH2+]Cc2noc(C(C)(C)C)n2)CCC1 ZINC001699132305 1412526206 /nfs/dbraw/zinc/52/62/06/1412526206.db2.gz YTVHQMFHFOBITH-AWEZNQCLSA-N 1 2 348.491 3.098 10 30 EGEELO C[C@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC1(C)C ZINC001699454135 1412797459 /nfs/dbraw/zinc/79/74/59/1412797459.db2.gz JDAZGKYMTHPKET-RDTXWAMCSA-N 1 2 345.462 3.460 10 30 EGEELO C[C@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC1(C)C ZINC001699454135 1412797461 /nfs/dbraw/zinc/79/74/61/1412797461.db2.gz JDAZGKYMTHPKET-RDTXWAMCSA-N 1 2 345.462 3.460 10 30 EGEELO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1Cc1cc(OC)ccc1Cl ZINC001699630293 1413000303 /nfs/dbraw/zinc/00/03/03/1413000303.db2.gz LHKGIBBVTPLTDI-MRXNPFEDSA-N 1 2 348.874 3.233 10 30 EGEELO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(OC)ccc1Cl ZINC001699630293 1413000307 /nfs/dbraw/zinc/00/03/07/1413000307.db2.gz LHKGIBBVTPLTDI-MRXNPFEDSA-N 1 2 348.874 3.233 10 30 EGEELO CCC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(C)C ZINC001699633550 1413005600 /nfs/dbraw/zinc/00/56/00/1413005600.db2.gz HNQJLICIVGBGTA-WMLDXEAASA-N 1 2 333.501 3.383 10 30 EGEELO CCC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(C)C ZINC001699633550 1413005607 /nfs/dbraw/zinc/00/56/07/1413005607.db2.gz HNQJLICIVGBGTA-WMLDXEAASA-N 1 2 333.501 3.383 10 30 EGEELO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001699686390 1413086408 /nfs/dbraw/zinc/08/64/08/1413086408.db2.gz DGXHPFCPDQDTJG-HDICACEKSA-N 1 2 343.427 3.126 10 30 EGEELO 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C=C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1Cc1conc1C)c1ccccc1 ZINC001716671035 1420827259 /nfs/dbraw/zinc/82/72/59/1420827259.db2.gz KHSDLDUDHIWJRE-QFBILLFUSA-N 1 2 339.439 3.033 10 30 EGEELO C=C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1Cc1conc1C)c1ccccc1 ZINC001716671035 1420827261 /nfs/dbraw/zinc/82/72/61/1420827261.db2.gz KHSDLDUDHIWJRE-QFBILLFUSA-N 1 2 339.439 3.033 10 30 EGEELO C=CCC(CC=C)C(=O)N(C)C1C[NH+](CCc2ccccc2F)C1 ZINC001716741952 1420897542 /nfs/dbraw/zinc/89/75/42/1420897542.db2.gz QXSOOVYTGHLJMC-UHFFFAOYSA-N 1 2 330.447 3.279 10 30 EGEELO C#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C(Cl)=C/Cl ZINC001716827574 1420953381 /nfs/dbraw/zinc/95/33/81/1420953381.db2.gz ZSUMKTFNJHZIBZ-GHRAKNKNSA-N 1 2 329.271 3.174 10 30 EGEELO C#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C(Cl)=C/Cl ZINC001716827574 1420953382 /nfs/dbraw/zinc/95/33/82/1420953382.db2.gz ZSUMKTFNJHZIBZ-GHRAKNKNSA-N 1 2 329.271 3.174 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC001716843872 1420969918 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327.806 3.373 10 30 EGEELO Cc1ccc(C[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1C ZINC000452048836 268037372 /nfs/dbraw/zinc/03/73/72/268037372.db2.gz RGNJVEUJJGSWLF-UHFFFAOYSA-N 1 2 342.464 3.081 10 30 EGEELO Cc1ccc(C[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1C ZINC000452048836 268037375 /nfs/dbraw/zinc/03/73/75/268037375.db2.gz RGNJVEUJJGSWLF-UHFFFAOYSA-N 1 2 342.464 3.081 10 30 EGEELO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000451340106 268080922 /nfs/dbraw/zinc/08/09/22/268080922.db2.gz IYMRMSBBGFVKQD-UHFFFAOYSA-N 1 2 347.422 3.032 10 30 EGEELO Cn1c(C#N)ccc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000451212835 268115318 /nfs/dbraw/zinc/11/53/18/268115318.db2.gz QGLKYQZTAVOKIS-UHFFFAOYSA-N 1 2 345.406 3.349 10 30 EGEELO N#Cc1cc(N2CCC(c3c[nH]c[nH+]3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000443497785 268183623 /nfs/dbraw/zinc/18/36/23/268183623.db2.gz GKJXMAWWCCIKJM-UHFFFAOYSA-N 1 2 348.366 3.122 10 30 EGEELO N#Cc1cc(N2CCC(c3c[nH+]c[nH]3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000443497785 268183625 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EGEELO C=CCCCN(C)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000077861612 454164367 /nfs/dbraw/zinc/16/43/67/454164367.db2.gz UQJFYBQHISKADA-UHFFFAOYSA-N 1 2 339.395 3.237 10 30 EGEELO C=C(C)CN(CC)C(=O)C[N@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000045838183 454187781 /nfs/dbraw/zinc/18/77/81/454187781.db2.gz VYEMAYHNHLHDLH-UHFFFAOYSA-N 1 2 346.471 3.093 10 30 EGEELO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000045838183 454187787 /nfs/dbraw/zinc/18/77/87/454187787.db2.gz VYEMAYHNHLHDLH-UHFFFAOYSA-N 1 2 346.471 3.093 10 30 EGEELO C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000089996959 454256943 /nfs/dbraw/zinc/25/69/43/454256943.db2.gz VEORSTNFGZHBQH-HOCLYGCPSA-N 1 2 345.855 3.448 10 30 EGEELO C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000089996959 454256949 /nfs/dbraw/zinc/25/69/49/454256949.db2.gz VEORSTNFGZHBQH-HOCLYGCPSA-N 1 2 345.855 3.448 10 30 EGEELO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000120841086 454354796 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N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H]2c2ccco2)C1=O ZINC000177080912 454820232 /nfs/dbraw/zinc/82/02/32/454820232.db2.gz AHYYGCWUOWZEJB-UONOGXRCSA-N 1 2 327.409 3.155 10 30 EGEELO C[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000180536987 455191886 /nfs/dbraw/zinc/19/18/86/455191886.db2.gz UZCHFWGFAVAQBM-YJBOKZPZSA-N 1 2 334.423 3.162 10 30 EGEELO Cc1nc(C(F)(F)F)c(CO[NH+]=C(N)COc2ccccc2)s1 ZINC000184192283 455360616 /nfs/dbraw/zinc/36/06/16/455360616.db2.gz UEZGJTKLOBETLJ-UHFFFAOYSA-N 1 2 345.346 3.338 10 30 EGEELO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000191487571 455490062 /nfs/dbraw/zinc/49/00/62/455490062.db2.gz DYFYZEJAWMIJAJ-INIZCTEOSA-N 1 2 345.487 3.381 10 30 EGEELO CCCCCCCCNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000271852813 455787007 /nfs/dbraw/zinc/78/70/07/455787007.db2.gz MONFSFJCKSAFSU-UHFFFAOYSA-N 1 2 330.432 3.058 10 30 EGEELO N#CCCOCC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000294397344 455813817 /nfs/dbraw/zinc/81/38/17/455813817.db2.gz CIQRMLNUQNJIEA-OAHLLOKOSA-N 1 2 328.334 3.009 10 30 EGEELO N#CCCOCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000294397344 455813820 /nfs/dbraw/zinc/81/38/20/455813820.db2.gz CIQRMLNUQNJIEA-OAHLLOKOSA-N 1 2 328.334 3.009 10 30 EGEELO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295445706 455849796 /nfs/dbraw/zinc/84/97/96/455849796.db2.gz PCVZWJZUVRYHJG-HNAYVOBHSA-N 1 2 347.434 3.154 10 30 EGEELO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000295445706 455849802 /nfs/dbraw/zinc/84/98/02/455849802.db2.gz PCVZWJZUVRYHJG-HNAYVOBHSA-N 1 2 347.434 3.154 10 30 EGEELO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C)(C#N)CC2)cc1C ZINC000272649157 456025437 /nfs/dbraw/zinc/02/54/37/456025437.db2.gz YVOGJUCTKXVBEG-UHFFFAOYSA-N 1 2 338.455 3.176 10 30 EGEELO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000288075820 456085705 /nfs/dbraw/zinc/08/57/05/456085705.db2.gz GSTXZUGJDDZMCV-MSOLQXFVSA-N 1 2 336.439 3.281 10 30 EGEELO C=CCC1(C(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)CCC1 ZINC000188838817 456148989 /nfs/dbraw/zinc/14/89/89/456148989.db2.gz RGUAMWYKAXRTLP-INIZCTEOSA-N 1 2 348.512 3.326 10 30 EGEELO CCOc1cc(C[N@H+](CC)CCC#N)cc(Br)c1O ZINC000297931091 456326679 /nfs/dbraw/zinc/32/66/79/456326679.db2.gz ULLOYPNQBTVQMW-UHFFFAOYSA-N 1 2 327.222 3.289 10 30 EGEELO Cn1cc[nH+]c1[C@H](NCc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000352825928 456341020 /nfs/dbraw/zinc/34/10/20/456341020.db2.gz UPKKRQRHYHDVLQ-OAHLLOKOSA-N 1 2 343.843 3.281 10 30 EGEELO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352862754 456371665 /nfs/dbraw/zinc/37/16/65/456371665.db2.gz PVNYRTBBDPLFAL-UHFFFAOYSA-N 1 2 337.349 3.213 10 30 EGEELO C=CCOc1ccccc1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000352989758 456432015 /nfs/dbraw/zinc/43/20/15/456432015.db2.gz QJWFOOXHTYKTOC-UHFFFAOYSA-N 1 2 338.451 3.275 10 30 EGEELO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000343292165 456511766 /nfs/dbraw/zinc/51/17/66/456511766.db2.gz CKYYDBIJNMTZKJ-GOEBONIOSA-N 1 2 347.390 3.073 10 30 EGEELO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000343292165 456511772 /nfs/dbraw/zinc/51/17/72/456511772.db2.gz CKYYDBIJNMTZKJ-GOEBONIOSA-N 1 2 347.390 3.073 10 30 EGEELO N#CC1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCCC1 ZINC000282441138 456514615 /nfs/dbraw/zinc/51/46/15/456514615.db2.gz UZTABLALEASQNG-INIZCTEOSA-N 1 2 340.471 3.399 10 30 EGEELO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000340800809 456693175 /nfs/dbraw/zinc/69/31/75/456693175.db2.gz PDJPZOJGFQEPNH-CYBMUJFWSA-N 1 2 343.814 3.324 10 30 EGEELO C=CCOc1ccccc1C[N@H+](C)CC(=O)NCc1cccs1 ZINC000353505672 456721925 /nfs/dbraw/zinc/72/19/25/456721925.db2.gz LENHXTOCLIALGV-UHFFFAOYSA-N 1 2 330.453 3.061 10 30 EGEELO C=CCOc1ccccc1C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000353505672 456721931 /nfs/dbraw/zinc/72/19/31/456721931.db2.gz LENHXTOCLIALGV-UHFFFAOYSA-N 1 2 330.453 3.061 10 30 EGEELO COc1cc2c(cc1F)C[N@H+](Cc1ccc(C#N)cc1OC)CC2 ZINC000348790164 456858380 /nfs/dbraw/zinc/85/83/80/456858380.db2.gz FPJIWXBWNRQBFN-UHFFFAOYSA-N 1 2 326.371 3.273 10 30 EGEELO COc1cc2c(cc1F)C[N@@H+](Cc1ccc(C#N)cc1OC)CC2 ZINC000348790164 456858384 /nfs/dbraw/zinc/85/83/84/456858384.db2.gz FPJIWXBWNRQBFN-UHFFFAOYSA-N 1 2 326.371 3.273 10 30 EGEELO CC(C)Cn1cc[nH+]c1CNc1nc2cc(Cl)ccn2c1C#N ZINC000342347601 457249618 /nfs/dbraw/zinc/24/96/18/457249618.db2.gz ADKVNCVVFABVTE-UHFFFAOYSA-N 1 2 328.807 3.324 10 30 EGEELO CCCc1[nH+]c2ccccc2n1CCC(=O)N(CC)C[C@H](C)C#N ZINC000354519649 457267601 /nfs/dbraw/zinc/26/76/01/457267601.db2.gz CJXCBFGPGKQVGY-OAHLLOKOSA-N 1 2 326.444 3.387 10 30 EGEELO C=CC[N@@H+](CCc1ccccc1)Cc1noc(C)c1C(=O)OCC ZINC000351443259 457289995 /nfs/dbraw/zinc/28/99/95/457289995.db2.gz MHFVZZPFULCGBF-UHFFFAOYSA-N 1 2 328.412 3.390 10 30 EGEELO C=CC[N@H+](CCc1ccccc1)Cc1noc(C)c1C(=O)OCC ZINC000351443259 457289999 /nfs/dbraw/zinc/28/99/99/457289999.db2.gz MHFVZZPFULCGBF-UHFFFAOYSA-N 1 2 328.412 3.390 10 30 EGEELO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355605212 457394931 /nfs/dbraw/zinc/39/49/31/457394931.db2.gz IFEHXNASUJXUQV-INIZCTEOSA-N 1 2 345.487 3.381 10 30 EGEELO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355605212 457394939 /nfs/dbraw/zinc/39/49/39/457394939.db2.gz IFEHXNASUJXUQV-INIZCTEOSA-N 1 2 345.487 3.381 10 30 EGEELO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356105184 457450772 /nfs/dbraw/zinc/45/07/72/457450772.db2.gz BVPZIBJICLGXEZ-LLVKDONJSA-N 1 2 328.334 3.349 10 30 EGEELO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356105184 457450775 /nfs/dbraw/zinc/45/07/75/457450775.db2.gz BVPZIBJICLGXEZ-LLVKDONJSA-N 1 2 328.334 3.349 10 30 EGEELO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccncc3)cc2F)C1=O ZINC000374181805 457511959 /nfs/dbraw/zinc/51/19/59/457511959.db2.gz DZLKIJPAGOJHEJ-LJQANCHMSA-N 1 2 339.414 3.106 10 30 EGEELO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccncc3)cc2F)C1=O ZINC000374181805 457511963 /nfs/dbraw/zinc/51/19/63/457511963.db2.gz DZLKIJPAGOJHEJ-LJQANCHMSA-N 1 2 339.414 3.106 10 30 EGEELO Cc1cccc2[nH+]c(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cn21 ZINC000352696838 457539638 /nfs/dbraw/zinc/53/96/38/457539638.db2.gz RJPPEVYOLKYDCC-UHFFFAOYSA-N 1 2 348.381 3.002 10 30 EGEELO N#Cc1cccc(N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)n1 ZINC000342837421 457550048 /nfs/dbraw/zinc/55/00/48/457550048.db2.gz CTQBHXFQRRTKLC-UHFFFAOYSA-N 1 2 349.825 3.481 10 30 EGEELO COC(=O)c1conc1C(C)(C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000425594510 457607160 /nfs/dbraw/zinc/60/71/60/457607160.db2.gz YRENDIOVHTZDAG-UHFFFAOYSA-N 1 2 341.411 3.287 10 30 EGEELO C=C(C)[C@@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(F)c1 ZINC000368206759 458018052 /nfs/dbraw/zinc/01/80/52/458018052.db2.gz CAWDQDFVQNSRCG-SJKOYZFVSA-N 1 2 346.381 3.162 10 30 EGEELO C=C(C)[C@@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c(F)c1 ZINC000368206759 458018058 /nfs/dbraw/zinc/01/80/58/458018058.db2.gz CAWDQDFVQNSRCG-SJKOYZFVSA-N 1 2 346.381 3.162 10 30 EGEELO N#Cc1ccc([C@H]([NH2+][C@@H]2CCCc3sc(Cl)cc32)C(N)=O)cc1 ZINC000427857153 458045748 /nfs/dbraw/zinc/04/57/48/458045748.db2.gz HSDSYCIKCIHZCR-CJNGLKHVSA-N 1 2 345.855 3.467 10 30 EGEELO C=CC[N@@H+](Cc1ccc(C(F)(F)F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000414385326 458317992 /nfs/dbraw/zinc/31/79/92/458317992.db2.gz VMKWRMWCRROPNF-CQSZACIVSA-N 1 2 347.402 3.189 10 30 EGEELO C=CC[N@H+](Cc1ccc(C(F)(F)F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000414385326 458317999 /nfs/dbraw/zinc/31/79/99/458317999.db2.gz VMKWRMWCRROPNF-CQSZACIVSA-N 1 2 347.402 3.189 10 30 EGEELO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459361690 458344063 /nfs/dbraw/zinc/34/40/63/458344063.db2.gz FXOTXQDOBSXFEO-BFUOFWGJSA-N 1 2 337.379 3.290 10 30 EGEELO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459361690 458344066 /nfs/dbraw/zinc/34/40/66/458344066.db2.gz FXOTXQDOBSXFEO-BFUOFWGJSA-N 1 2 337.379 3.290 10 30 EGEELO C=CCCCNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000448388889 458401215 /nfs/dbraw/zinc/40/12/15/458401215.db2.gz NGIPHNVVNYOXJR-MRXNPFEDSA-N 1 2 331.460 3.050 10 30 EGEELO Cc1c(Cl)c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)nn1C ZINC000421317932 458410223 /nfs/dbraw/zinc/41/02/23/458410223.db2.gz AUCLTOUNDCRVGX-UHFFFAOYSA-N 1 2 344.846 3.297 10 30 EGEELO Cc1cc(NC(=O)c2ccc(C#N)n2C)c[nH+]c1N1CCCC[C@H]1C ZINC000450501196 458449807 /nfs/dbraw/zinc/44/98/07/458449807.db2.gz PTGFTZSQCQBLBV-CQSZACIVSA-N 1 2 337.427 3.231 10 30 EGEELO C=C(C)C[C@@H](C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000456655386 458743118 /nfs/dbraw/zinc/74/31/18/458743118.db2.gz FUVSMEVZUNBVRC-SNVBAGLBSA-N 1 2 326.238 3.451 10 30 EGEELO COc1ccccc1/C=C/C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000506085214 458750076 /nfs/dbraw/zinc/75/00/76/458750076.db2.gz IJKOAMSOEGSFNY-GQCTYLIASA-N 1 2 347.462 3.398 10 30 EGEELO C=CCOc1ccc(C[NH2+][C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)cc1 ZINC000517036076 458825134 /nfs/dbraw/zinc/82/51/34/458825134.db2.gz VULIHNRBMXXTKQ-UHOSZYNNSA-N 1 2 347.455 3.088 10 30 EGEELO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548865790 458875688 /nfs/dbraw/zinc/87/56/88/458875688.db2.gz PTQPGOOVGDHUGH-AWEZNQCLSA-N 1 2 339.443 3.380 10 30 EGEELO N#CCc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000560517153 459363662 /nfs/dbraw/zinc/36/36/62/459363662.db2.gz RYJJSKJZEMSVBZ-IYARVYRRSA-N 1 2 334.423 3.301 10 30 EGEELO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000595680412 459395106 /nfs/dbraw/zinc/39/51/06/459395106.db2.gz GZVFNERQTWZHNX-GFCCVEGCSA-N 1 2 335.245 3.464 10 30 EGEELO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000595680412 459395113 /nfs/dbraw/zinc/39/51/13/459395113.db2.gz GZVFNERQTWZHNX-GFCCVEGCSA-N 1 2 335.245 3.464 10 30 EGEELO C=CC[C@H](CC)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000541552802 459466226 /nfs/dbraw/zinc/46/62/26/459466226.db2.gz BJFHOJATTZQQJK-JQFCIGGWSA-N 1 2 337.414 3.364 10 30 EGEELO C=CC[C@H](CC)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000541552802 459466230 /nfs/dbraw/zinc/46/62/30/459466230.db2.gz BJFHOJATTZQQJK-JQFCIGGWSA-N 1 2 337.414 3.364 10 30 EGEELO COc1ccc2ncc(C#N)c(N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000591920787 459484827 /nfs/dbraw/zinc/48/48/27/459484827.db2.gz HKMLTLOMECFOFD-IFXJQAMLSA-N 1 2 347.422 3.399 10 30 EGEELO Cc1cc(NCc2ccc(N3CCCC3)[nH+]c2)cc(C#N)c1[N+](=O)[O-] ZINC000596073476 459509792 /nfs/dbraw/zinc/50/97/92/459509792.db2.gz QSGNYOPHIIKFCT-UHFFFAOYSA-N 1 2 337.383 3.382 10 30 EGEELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592055721 459517943 /nfs/dbraw/zinc/51/79/43/459517943.db2.gz FGUOOYSPKLOHAP-HNNXBMFYSA-N 1 2 340.858 3.485 10 30 EGEELO N#Cc1cnccc1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000592066368 459519749 /nfs/dbraw/zinc/51/97/49/459519749.db2.gz XTXFTNGCFCBUAF-LJQANCHMSA-N 1 2 325.387 3.274 10 30 EGEELO N#Cc1cnccc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000592066368 459519757 /nfs/dbraw/zinc/51/97/57/459519757.db2.gz XTXFTNGCFCBUAF-LJQANCHMSA-N 1 2 325.387 3.274 10 30 EGEELO N#Cc1cnccc1C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000592094650 459523889 /nfs/dbraw/zinc/52/38/89/459523889.db2.gz WKSMSPXCFLKCQC-UHFFFAOYSA-N 1 2 325.387 3.274 10 30 EGEELO N#CC[C@@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000596445582 459638856 /nfs/dbraw/zinc/63/88/56/459638856.db2.gz BDBPESWSYYZRIO-AWEZNQCLSA-N 1 2 347.488 3.287 10 30 EGEELO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000596598416 459692030 /nfs/dbraw/zinc/69/20/30/459692030.db2.gz FOLNBSMMYDALSO-UHFFFAOYSA-N 1 2 346.381 3.467 10 30 EGEELO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000596598416 459692035 /nfs/dbraw/zinc/69/20/35/459692035.db2.gz FOLNBSMMYDALSO-UHFFFAOYSA-N 1 2 346.381 3.467 10 30 EGEELO C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(C#N)cc1F ZINC000543762418 459697719 /nfs/dbraw/zinc/69/77/19/459697719.db2.gz SPGDLOCOOJDIAU-LLVKDONJSA-N 1 2 339.349 3.472 10 30 EGEELO CCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](CC)C(=O)OCC ZINC000563212208 459740420 /nfs/dbraw/zinc/74/04/20/459740420.db2.gz RATMZDIXGQFWQQ-HNNXBMFYSA-N 1 2 333.388 3.020 10 30 EGEELO CCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](CC)C(=O)OCC ZINC000563212208 459740423 /nfs/dbraw/zinc/74/04/23/459740423.db2.gz RATMZDIXGQFWQQ-HNNXBMFYSA-N 1 2 333.388 3.020 10 30 EGEELO CC(C)Oc1ccnc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000593028978 459746362 /nfs/dbraw/zinc/74/63/62/459746362.db2.gz KOGJKXNBJUZBED-UHFFFAOYSA-N 1 2 336.439 3.321 10 30 EGEELO N#Cc1ccc(C2([NH2+]Cc3n[nH]c4ccccc43)CCOCC2)cc1 ZINC000527813004 459747482 /nfs/dbraw/zinc/74/74/82/459747482.db2.gz VHEMTCHQXPEKAE-UHFFFAOYSA-N 1 2 332.407 3.230 10 30 EGEELO Cc1cc(NC(=O)N2CC(CC#N)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000596826206 459772227 /nfs/dbraw/zinc/77/22/27/459772227.db2.gz YBXFVROAOKVIMZ-AWEZNQCLSA-N 1 2 327.432 3.146 10 30 EGEELO N#CC1(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)CCCCC1 ZINC000596863232 459781550 /nfs/dbraw/zinc/78/15/50/459781550.db2.gz KIMTZUJWSIPDRP-UHFFFAOYSA-N 1 2 346.500 3.049 10 30 EGEELO COC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596984094 459811090 /nfs/dbraw/zinc/81/10/90/459811090.db2.gz PXOYIDQPXJDCQK-UHFFFAOYSA-N 1 2 334.419 3.417 10 30 EGEELO COC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596984094 459811094 /nfs/dbraw/zinc/81/10/94/459811094.db2.gz PXOYIDQPXJDCQK-UHFFFAOYSA-N 1 2 334.419 3.417 10 30 EGEELO CC(C)OCc1nc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)no1 ZINC000597132528 459846975 /nfs/dbraw/zinc/84/69/75/459846975.db2.gz IRCVVCOPNRBUKR-AWEZNQCLSA-N 1 2 340.427 3.401 10 30 EGEELO COc1ccc(Cl)c(N2CC[NH+](Cc3ccc(C#N)o3)CC2)c1 ZINC000593646270 459940001 /nfs/dbraw/zinc/94/00/01/459940001.db2.gz MPHAJXMMUCESCT-UHFFFAOYSA-N 1 2 331.803 3.135 10 30 EGEELO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597471758 459965673 /nfs/dbraw/zinc/96/56/73/459965673.db2.gz QWYIPBRBRIPPGC-UVBJJODRSA-N 1 2 337.826 3.280 10 30 EGEELO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597471758 459965680 /nfs/dbraw/zinc/96/56/80/459965680.db2.gz QWYIPBRBRIPPGC-UVBJJODRSA-N 1 2 337.826 3.280 10 30 EGEELO CC(C)(C#N)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000614160039 460032917 /nfs/dbraw/zinc/03/29/17/460032917.db2.gz PSFXFRLJBBEKPC-UHFFFAOYSA-N 1 2 347.462 3.446 10 30 EGEELO N#Cc1ccc(C2([NH2+]Cc3ncn(-c4ccccc4)n3)CCC2)cc1 ZINC000594033715 460066392 /nfs/dbraw/zinc/06/63/92/460066392.db2.gz ZILIIEXOKDUCSR-UHFFFAOYSA-N 1 2 329.407 3.308 10 30 EGEELO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)CC2 ZINC000599104353 460163439 /nfs/dbraw/zinc/16/34/39/460163439.db2.gz SWZABJQEELQNTM-HNNXBMFYSA-N 1 2 338.411 3.075 10 30 EGEELO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)nnn1-c1ccccc1 ZINC000610812452 460240903 /nfs/dbraw/zinc/24/09/03/460240903.db2.gz BRZCHUZMHCFLLG-ZDUSSCGKSA-N 1 2 335.386 3.437 10 30 EGEELO C[N@H+](Cc1ccnc(C#N)c1)Cc1cc(Br)ccc1F ZINC000610991472 460272663 /nfs/dbraw/zinc/27/26/63/460272663.db2.gz LOAUDBDWROKJGD-UHFFFAOYSA-N 1 2 334.192 3.487 10 30 EGEELO C[N@@H+](Cc1ccnc(C#N)c1)Cc1cc(Br)ccc1F ZINC000610991472 460272668 /nfs/dbraw/zinc/27/26/68/460272668.db2.gz LOAUDBDWROKJGD-UHFFFAOYSA-N 1 2 334.192 3.487 10 30 EGEELO C[C@H]1CCN(c2c(C#N)cnn2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000603310600 460281991 /nfs/dbraw/zinc/28/19/91/460281991.db2.gz IFWBYTATZGMYPM-MAUKXSAKSA-N 1 2 332.411 3.028 10 30 EGEELO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611179349 460302139 /nfs/dbraw/zinc/30/21/39/460302139.db2.gz BEPRYVWIRINNSD-UUCFBXCCSA-N 1 2 339.430 3.037 10 30 EGEELO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179983 460302286 /nfs/dbraw/zinc/30/22/86/460302286.db2.gz PDZQIIGFDQPQKO-VHSXEESVSA-N 1 2 339.411 3.022 10 30 EGEELO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179983 460302291 /nfs/dbraw/zinc/30/22/91/460302291.db2.gz PDZQIIGFDQPQKO-VHSXEESVSA-N 1 2 339.411 3.022 10 30 EGEELO C=CCSCCNC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000603428392 460303013 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330.476 3.111 10 30 EGEELO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C(C)C ZINC001734103088 1437887862 /nfs/dbraw/zinc/88/78/62/1437887862.db2.gz GVTLPWSKRPFTCA-UONOGXRCSA-N 1 2 349.288 3.250 10 30 EGEELO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C(C)C ZINC001734103088 1437887864 /nfs/dbraw/zinc/88/78/64/1437887864.db2.gz GVTLPWSKRPFTCA-UONOGXRCSA-N 1 2 349.288 3.250 10 30 EGEELO C=CCCC(=O)N[C@H](C)C1C[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001734110706 1437895952 /nfs/dbraw/zinc/89/59/52/1437895952.db2.gz RCHSOCAHOQCCGZ-ZIAGYGMSSA-N 1 2 333.476 3.436 10 30 EGEELO C=C[C@](C)(CC)C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)c(C)s2)C1 ZINC001734122459 1437902434 /nfs/dbraw/zinc/90/24/34/1437902434.db2.gz QSWCNCHFYTYAMI-FZKQIMNGSA-N 1 2 335.517 3.299 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(C)sc2C)CC1(C)C ZINC001734151101 1437918520 /nfs/dbraw/zinc/91/85/20/1437918520.db2.gz YLGGARQHDMPCKX-QGZVFWFLSA-N 1 2 347.528 3.280 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)sc2C)CC1(C)C ZINC001734151101 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N#Cc1csc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)n1 ZINC000581040805 325323513 /nfs/dbraw/zinc/32/35/13/325323513.db2.gz RSSDOPPYHCBEEA-OAHLLOKOSA-N 1 2 327.457 3.494 10 30 EGEELO CCc1nc(C2([NH2+]Cc3ccc(OC)c(C#N)c3)CCCC2)no1 ZINC000173360320 455272653 /nfs/dbraw/zinc/27/26/53/455272653.db2.gz ZTMXNTWPYFJJBT-UHFFFAOYSA-N 1 2 326.400 3.071 10 30 EGEELO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000245572514 455333071 /nfs/dbraw/zinc/33/30/71/455333071.db2.gz YMIRWCFIJBTVPV-CZUORRHYSA-N 1 2 329.425 3.007 10 30 EGEELO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000245572514 455333074 /nfs/dbraw/zinc/33/30/74/455333074.db2.gz YMIRWCFIJBTVPV-CZUORRHYSA-N 1 2 329.425 3.007 10 30 EGEELO C=CCOc1c(Cl)cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1OC ZINC000623563180 460615396 /nfs/dbraw/zinc/61/53/96/460615396.db2.gz QKMUYNNCWKUASL-RISCZKNCSA-N 1 2 348.834 3.301 10 30 EGEELO N#Cc1cccnc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000029618667 453830188 /nfs/dbraw/zinc/83/01/88/453830188.db2.gz 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1405874702 /nfs/dbraw/zinc/87/47/02/1405874702.db2.gz WNKGVPSNEATEOZ-INIZCTEOSA-N 1 2 333.501 3.068 10 30 EGEELO C=C[C@H](C(=O)NC1C[NH+](Cc2ccc(CF)cc2)C1)c1ccccc1 ZINC001692267268 1405897271 /nfs/dbraw/zinc/89/72/71/1405897271.db2.gz WFLRDGDBQGWZBE-FQEVSTJZSA-N 1 2 338.426 3.426 10 30 EGEELO C=C(C)CCC(=O)NCC1C[NH+]([C@H](C)c2nc3ccccc3o2)C1 ZINC001692310986 1405930383 /nfs/dbraw/zinc/93/03/83/1405930383.db2.gz RPJMRAFKSNSDBP-CQSZACIVSA-N 1 2 327.428 3.293 10 30 EGEELO CC(C)(C)C#CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(Cl)c1 ZINC001692364720 1405976236 /nfs/dbraw/zinc/97/62/36/1405976236.db2.gz KMVGDVYERADGIR-IRXDYDNUSA-N 1 2 330.859 3.175 10 30 EGEELO CC(C)(C)C#CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(Cl)c1 ZINC001692364720 1405976240 /nfs/dbraw/zinc/97/62/40/1405976240.db2.gz KMVGDVYERADGIR-IRXDYDNUSA-N 1 2 330.859 3.175 10 30 EGEELO CC(C)C#CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001698563882 1406164809 /nfs/dbraw/zinc/16/48/09/1406164809.db2.gz RORCQVVECFZICC-INIZCTEOSA-N 1 2 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347.875 3.002 10 30 EGEELO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000184233861 455365051 /nfs/dbraw/zinc/36/50/51/455365051.db2.gz HHHGHYGOJRNHLQ-INIZCTEOSA-N 1 2 340.471 3.279 10 30 EGEELO N#Cc1ccc(CCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000030217978 453834562 /nfs/dbraw/zinc/83/45/62/453834562.db2.gz HHURDEXUELISMW-UHFFFAOYSA-N 1 2 344.418 3.052 10 30 EGEELO C=CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OC)cc1 ZINC000054272084 453919573 /nfs/dbraw/zinc/91/95/73/453919573.db2.gz DWLJZZJJMRZOMU-UHFFFAOYSA-N 1 2 340.423 3.331 10 30 EGEELO C=CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OC)cc1 ZINC000054272084 453919577 /nfs/dbraw/zinc/91/95/77/453919577.db2.gz DWLJZZJJMRZOMU-UHFFFAOYSA-N 1 2 340.423 3.331 10 30 EGEELO C=CCCCN(C)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000130542156 454203799 /nfs/dbraw/zinc/20/37/99/454203799.db2.gz ZDDOKUYKMFQZOE-UHFFFAOYSA-N 1 2 339.395 3.237 10 30 EGEELO N#Cc1c(NC(=O)C[N@@H+]2CCCSCC2)sc2c1CCCCC2 ZINC000089985718 454254219 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Cc1csc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000184185512 455360341 /nfs/dbraw/zinc/36/03/41/455360341.db2.gz PIULRTBUYWVQFN-MNOVXSKESA-N 1 2 332.429 3.211 10 30 EGEELO CCc1nnc(C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)[nH]1 ZINC000190680460 455365466 /nfs/dbraw/zinc/36/54/66/455365466.db2.gz IVFVOHFMVUYYJA-UHFFFAOYSA-N 1 2 329.835 3.272 10 30 EGEELO CCc1n[nH]c(C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)n1 ZINC000190680460 455365470 /nfs/dbraw/zinc/36/54/70/455365470.db2.gz IVFVOHFMVUYYJA-UHFFFAOYSA-N 1 2 329.835 3.272 10 30 EGEELO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000246545926 455506554 /nfs/dbraw/zinc/50/65/54/455506554.db2.gz CWPWMHNCVWKJMP-MAUKXSAKSA-N 1 2 334.435 3.012 10 30 EGEELO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000246545926 455506558 /nfs/dbraw/zinc/50/65/58/455506558.db2.gz CWPWMHNCVWKJMP-MAUKXSAKSA-N 1 2 334.435 3.012 10 30 EGEELO C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000185232779 455527001 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336.501 3.228 10 30 EGEELO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCOCCC#N ZINC000293501652 455789340 /nfs/dbraw/zinc/78/93/40/455789340.db2.gz HIYVHZKZMXGFOC-CZUORRHYSA-N 1 2 342.361 3.397 10 30 EGEELO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCOCCC#N ZINC000293501652 455789342 /nfs/dbraw/zinc/78/93/42/455789342.db2.gz HIYVHZKZMXGFOC-CZUORRHYSA-N 1 2 342.361 3.397 10 30 EGEELO Cn1ncc(Br)c1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000278321524 455817233 /nfs/dbraw/zinc/81/72/33/455817233.db2.gz DYAPGMCRFVJPMG-CQSZACIVSA-N 1 2 333.233 3.317 10 30 EGEELO CC1(C)CC(=O)C2=C(C1)O[C@H]([NH3+])[C@@H](C#N)[C@H]2c1c[nH]c2ccccc21 ZINC000257352018 455897138 /nfs/dbraw/zinc/89/71/38/455897138.db2.gz INLAYVFBQSTZBG-KHDYIWLOSA-N 1 2 335.407 3.349 10 30 EGEELO CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272652125 456027353 /nfs/dbraw/zinc/02/73/53/456027353.db2.gz ZNEWTHDUPLICIX-UHFFFAOYSA-N 1 2 337.826 3.063 10 30 EGEELO CCCC[C@H](ON=C(C)C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000272739124 456056539 /nfs/dbraw/zinc/05/65/39/456056539.db2.gz LSBMQYCTONUHDS-INIZCTEOSA-N 1 2 330.432 3.230 10 30 EGEELO C=CCO[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302194339 456313661 /nfs/dbraw/zinc/31/36/61/456313661.db2.gz WTOKUEIFLJRRNM-INIZCTEOSA-N 1 2 340.383 3.142 10 30 EGEELO CCOc1cc2c(cc1C[NH2+]Cc1nc(C#N)cs1)O[C@H](C)C2 ZINC000352837347 456352975 /nfs/dbraw/zinc/35/29/75/456352975.db2.gz ZRDZTEFMDINCHM-LLVKDONJSA-N 1 2 329.425 3.027 10 30 EGEELO N#Cc1cscc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000340337167 456399511 /nfs/dbraw/zinc/39/95/11/456399511.db2.gz QUUGEBZUEINQJB-DAXSKMNVSA-N 1 2 337.448 3.091 10 30 EGEELO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C#N)o2)c(C)c1 ZINC000343382364 456576900 /nfs/dbraw/zinc/57/69/00/456576900.db2.gz MCVQMPKUQUEACS-QGZVFWFLSA-N 1 2 334.379 3.136 10 30 EGEELO CC[N@H+](CC(=O)OC)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000353285375 456611077 /nfs/dbraw/zinc/61/10/77/456611077.db2.gz IUOHWGDXJSVVSD-UHFFFAOYSA-N 1 2 338.407 3.132 10 30 EGEELO CC[N@@H+](CC(=O)OC)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000353285375 456611083 /nfs/dbraw/zinc/61/10/83/456611083.db2.gz IUOHWGDXJSVVSD-UHFFFAOYSA-N 1 2 338.407 3.132 10 30 EGEELO CCc1ccc(C[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000338204663 456704590 /nfs/dbraw/zinc/70/45/90/456704590.db2.gz HESUIBOTVUKTKX-UHFFFAOYSA-N 1 2 342.464 3.026 10 30 EGEELO CCc1ccc(C[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000338204663 456704594 /nfs/dbraw/zinc/70/45/94/456704594.db2.gz HESUIBOTVUKTKX-UHFFFAOYSA-N 1 2 342.464 3.026 10 30 EGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCS[C@@H](C(C)C)C1)CCC2 ZINC000328662427 456732001 /nfs/dbraw/zinc/73/20/01/456732001.db2.gz XJMBXWAIKOCDFG-LSDHHAIUSA-N 1 2 336.505 3.056 10 30 EGEELO CC[C@H](NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)c1nccs1 ZINC000328698275 456740133 /nfs/dbraw/zinc/74/01/33/456740133.db2.gz HNTNSIJAWHTPEU-OLZOCXBDSA-N 1 2 333.461 3.180 10 30 EGEELO C[C@@H]1C[C@H](C)CN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329187876 456851262 /nfs/dbraw/zinc/85/12/62/456851262.db2.gz BHWRCAQVKZCHJC-ZNMIVQPWSA-N 1 2 332.492 3.387 10 30 EGEELO O=C(NCc1ccc2ccccc2n1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329239131 456858870 /nfs/dbraw/zinc/85/88/70/456858870.db2.gz LSFNSHPNLZPUCN-IBGZPJMESA-N 1 2 339.439 3.335 10 30 EGEELO O=C(NCc1ccc2ccccc2n1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329239131 456858871 /nfs/dbraw/zinc/85/88/71/456858871.db2.gz LSFNSHPNLZPUCN-IBGZPJMESA-N 1 2 339.439 3.335 10 30 EGEELO COc1ccccc1CNC(=O)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000329447904 456892418 /nfs/dbraw/zinc/89/24/18/456892418.db2.gz OEYCCZQFUCJPJY-LJQANCHMSA-N 1 2 346.471 3.433 10 30 EGEELO COc1ccccc1CNC(=O)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000329447904 456892421 /nfs/dbraw/zinc/89/24/21/456892421.db2.gz OEYCCZQFUCJPJY-LJQANCHMSA-N 1 2 346.471 3.433 10 30 EGEELO Cc1csc([C@H](C)CNC([O-])=[NH+]C[C@@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000329694877 456928609 /nfs/dbraw/zinc/92/86/09/456928609.db2.gz XFDNWGQNJUUEPE-RISCZKNCSA-N 1 2 347.488 3.141 10 30 EGEELO Cc1csc([C@H](C)C[NH+]=C([O-])NC[C@@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000329694877 456928612 /nfs/dbraw/zinc/92/86/12/456928612.db2.gz XFDNWGQNJUUEPE-RISCZKNCSA-N 1 2 347.488 3.141 10 30 EGEELO Cc1nc(NC2CCN(c3cccc[nH+]3)CC2)c(Cl)cc1C#N ZINC000359913079 457144629 /nfs/dbraw/zinc/14/46/29/457144629.db2.gz QDHMAMQHOFPJSW-UHFFFAOYSA-N 1 2 327.819 3.391 10 30 EGEELO N#Cc1cc(C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)c[nH]1 ZINC000359999262 457194371 /nfs/dbraw/zinc/19/43/71/457194371.db2.gz NPJUPIJVLATVRD-UHFFFAOYSA-N 1 2 331.379 3.338 10 30 EGEELO Clc1ccccc1C#CC[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000347073828 457217400 /nfs/dbraw/zinc/21/74/00/457217400.db2.gz FTPFJHQSZQAIBD-GOSISDBHSA-N 1 2 326.827 3.378 10 30 EGEELO Clc1ccccc1C#CC[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000347073828 457217404 /nfs/dbraw/zinc/21/74/04/457217404.db2.gz FTPFJHQSZQAIBD-GOSISDBHSA-N 1 2 326.827 3.378 10 30 EGEELO N#Cc1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000357310039 457436250 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Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c1C ZINC000446072315 458140214 /nfs/dbraw/zinc/14/02/14/458140214.db2.gz LYRGZRVGMLOJOB-JQHSSLGASA-N 1 2 343.471 3.048 10 30 EGEELO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c1C ZINC000446072315 458140217 /nfs/dbraw/zinc/14/02/17/458140217.db2.gz LYRGZRVGMLOJOB-JQHSSLGASA-N 1 2 343.471 3.048 10 30 EGEELO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc2[nH+]ccn21 ZINC000358771874 458207740 /nfs/dbraw/zinc/20/77/40/458207740.db2.gz XYZHIVALZZWUTK-SFHVURJKSA-N 1 2 334.379 3.248 10 30 EGEELO N#Cc1ccc(O[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)nc1 ZINC000428802050 458214062 /nfs/dbraw/zinc/21/40/62/458214062.db2.gz IXGQETPXSLYWGN-KRWDZBQOSA-N 1 2 337.810 3.111 10 30 EGEELO N#Cc1ccc(O[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)nc1 ZINC000428802050 458214070 /nfs/dbraw/zinc/21/40/70/458214070.db2.gz IXGQETPXSLYWGN-KRWDZBQOSA-N 1 2 337.810 3.111 10 30 EGEELO C[C@H](O)CNc1[nH+]c2ccccc2n1CCC1(C#N)CCCCC1 ZINC000418768619 458376528 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10 30 EGEELO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000470956545 458670174 /nfs/dbraw/zinc/67/01/74/458670174.db2.gz ASIJMLOFRKXZIB-SKDRFNHKSA-N 1 2 345.752 3.423 10 30 EGEELO N#CCC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000547507623 458752359 /nfs/dbraw/zinc/75/23/59/458752359.db2.gz HFRJDSFTHGMUCP-UHFFFAOYSA-N 1 2 333.233 3.451 10 30 EGEELO OC[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000511628539 458780010 /nfs/dbraw/zinc/78/00/10/458780010.db2.gz NJXINYHGLDJDPJ-KBPBESRZSA-N 1 2 331.765 3.184 10 30 EGEELO OC[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000511628539 458780014 /nfs/dbraw/zinc/78/00/14/458780014.db2.gz NJXINYHGLDJDPJ-KBPBESRZSA-N 1 2 331.765 3.184 10 30 EGEELO C=CCOc1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000512291189 458784702 /nfs/dbraw/zinc/78/47/02/458784702.db2.gz FXCDJRIPZQNBDY-UHFFFAOYSA-N 1 2 342.483 3.476 10 30 EGEELO C=CCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000472775284 458809291 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EGEELO C=C(Cl)C[N@@H+]1CCC[C@](CO)(NC(=O)CCC2CCCCC2)C1 ZINC001724642464 1424994171 /nfs/dbraw/zinc/99/41/71/1424994171.db2.gz NDSMQBJMCKCUEF-SFHVURJKSA-N 1 2 342.911 3.043 10 30 EGEELO C=C1CCC(C(=O)N2CC[C@H](CC[NH2+][C@H](C)c3noc(C)n3)C2)CC1 ZINC001724727843 1425079930 /nfs/dbraw/zinc/07/99/30/1425079930.db2.gz VHCGCBHYYFFCMI-ZBFHGGJFSA-N 1 2 346.475 3.014 10 30 EGEELO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001725013276 1425431757 /nfs/dbraw/zinc/43/17/57/1425431757.db2.gz NGGJGSBLQSGCGM-QAPCUYQASA-N 1 2 338.476 3.200 10 30 EGEELO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001725013276 1425431761 /nfs/dbraw/zinc/43/17/61/1425431761.db2.gz NGGJGSBLQSGCGM-QAPCUYQASA-N 1 2 338.476 3.200 10 30 EGEELO C=C(Cl)C[NH+]1CCC(CO)(NC(=O)C2CCCCCCC2)CC1 ZINC001725019861 1425436744 /nfs/dbraw/zinc/43/67/44/1425436744.db2.gz IRHHBZDWNCFLCD-UHFFFAOYSA-N 1 2 342.911 3.043 10 30 EGEELO CC#CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC001725043510 1425471005 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348.743 3.296 10 30 EGEELO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC(F)(F)C(F)(F)F)[C@@H]1C ZINC001725617981 1426280710 /nfs/dbraw/zinc/28/07/10/1426280710.db2.gz FGFHUVMPRMEACW-UWVGGRQHSA-N 1 2 348.743 3.296 10 30 EGEELO C=C(Br)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC1(C)C ZINC001731258397 1427208652 /nfs/dbraw/zinc/20/86/52/1427208652.db2.gz MFQGERFFHNOYOC-ZDUSSCGKSA-N 1 2 331.298 3.159 10 30 EGEELO C=C(Br)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCC1(C)C ZINC001731258397 1427208656 /nfs/dbraw/zinc/20/86/56/1427208656.db2.gz MFQGERFFHNOYOC-ZDUSSCGKSA-N 1 2 331.298 3.159 10 30 EGEELO CC(C)CC(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001731344716 1427282389 /nfs/dbraw/zinc/28/23/89/1427282389.db2.gz VISNSNQICDRRHJ-UHFFFAOYSA-N 1 2 331.435 3.166 10 30 EGEELO CC(C)C#CC(=O)NCC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC001731769711 1427879818 /nfs/dbraw/zinc/87/98/18/1427879818.db2.gz YYBKZPSPLHQTQL-UHFFFAOYSA-N 1 2 327.255 3.201 10 30 EGEELO CC(C)C#CC(=O)NCC[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC001731769711 1427879825 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C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001733810348 1430086623 /nfs/dbraw/zinc/08/66/23/1430086623.db2.gz IQWUBRMUGLKELY-DNVCBOLYSA-N 1 2 338.476 3.028 10 30 EGEELO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001733810348 1430086632 /nfs/dbraw/zinc/08/66/32/1430086632.db2.gz IQWUBRMUGLKELY-DNVCBOLYSA-N 1 2 338.476 3.028 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccnc1 ZINC001733810131 1430087056 /nfs/dbraw/zinc/08/70/56/1430087056.db2.gz GHUDVYZEACXBSH-FQEVSTJZSA-N 1 2 349.478 3.337 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccnc1 ZINC001733810131 1430087058 /nfs/dbraw/zinc/08/70/58/1430087058.db2.gz GHUDVYZEACXBSH-FQEVSTJZSA-N 1 2 349.478 3.337 10 30 EGEELO C/C=C(/C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001733874019 1437699978 /nfs/dbraw/zinc/69/99/78/1437699978.db2.gz WBAVRBAMLDGSFR-PHHWEUELSA-N 1 2 343.446 3.380 10 30 EGEELO C/C=C(/C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001733874019 1437699980 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3.071 10 30 EGEELO C=CCCCC(=O)N[C@H](C)C1CC[NH+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC001734578849 1438171319 /nfs/dbraw/zinc/17/13/19/1438171319.db2.gz LGXNUVIPYJCOEX-HUUCEWRRSA-N 1 2 347.507 3.001 10 30 EGEELO C#CCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)CC(=C)Br ZINC001750935997 1440115247 /nfs/dbraw/zinc/11/52/47/1440115247.db2.gz XXYGBQBDHNAKKQ-HNNXBMFYSA-N 1 2 341.293 3.011 10 30 EGEELO C#CCCCC(=O)N1CCCC[C@H]1C[N@H+](C)CC(=C)Br ZINC001750935997 1440115248 /nfs/dbraw/zinc/11/52/48/1440115248.db2.gz XXYGBQBDHNAKKQ-HNNXBMFYSA-N 1 2 341.293 3.011 10 30 EGEELO C=CC1CCN(c2nnc(CC)n2CCCNc2cccc[nH+]2)CC1 ZINC001760402542 1441368418 /nfs/dbraw/zinc/36/84/18/1441368418.db2.gz MWFRUXLQIFUBLB-UHFFFAOYSA-N 1 2 340.475 3.140 10 30 EGEELO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)cc1 ZINC000003542004 210049532 /nfs/dbraw/zinc/04/95/32/210049532.db2.gz BHZBCXZJVPPGIF-UHFFFAOYSA-N 1 2 343.427 3.318 10 30 EGEELO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)cc1 ZINC000003542004 210049539 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N#Cc1ccsc1C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000366911656 168155914 /nfs/dbraw/zinc/15/59/14/168155914.db2.gz VUPQKVCOVRGJKX-AWEZNQCLSA-N 1 2 331.828 3.060 10 30 EGEELO N#Cc1ccccc1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000126618946 307572390 /nfs/dbraw/zinc/57/23/90/307572390.db2.gz FBFSRIHLBLXSIS-UHFFFAOYSA-N 1 2 349.415 3.349 10 30 EGEELO N#Cc1ccc2ncc(CNc3ccc(N4CCCCC4)[nH+]c3)n2c1 ZINC000537491534 314184702 /nfs/dbraw/zinc/18/47/02/314184702.db2.gz FVHPEMXUUDNLKC-UHFFFAOYSA-N 1 2 332.411 3.203 10 30 EGEELO Cc1ccc2ncc(C#N)c(N3CCN(c4c[nH+]ccc4C)CC3)c2c1 ZINC000562329570 315819353 /nfs/dbraw/zinc/81/93/53/315819353.db2.gz FOHZODXUKKQNGR-UHFFFAOYSA-N 1 2 343.434 3.445 10 30 EGEELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000175559748 323320577 /nfs/dbraw/zinc/32/05/77/323320577.db2.gz WVKHJWGBPMTTHJ-ZDUSSCGKSA-N 1 2 343.427 3.278 10 30 EGEELO N#Cc1cccc(NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000043329697 454056621 /nfs/dbraw/zinc/05/66/21/454056621.db2.gz MUDXGVGEOXJFOK-UHFFFAOYSA-N 1 2 325.759 3.181 10 30 EGEELO COc1ccc(C[N@H+](C)Cc2cc(C)on2)cc1OCCCC#N ZINC000092254884 454542215 /nfs/dbraw/zinc/54/22/15/454542215.db2.gz XUJBOQNYNJVAFJ-UHFFFAOYSA-N 1 2 329.400 3.306 10 30 EGEELO COc1ccc(C[N@@H+](C)Cc2cc(C)on2)cc1OCCCC#N ZINC000092254884 454542219 /nfs/dbraw/zinc/54/22/19/454542219.db2.gz XUJBOQNYNJVAFJ-UHFFFAOYSA-N 1 2 329.400 3.306 10 30 EGEELO C=CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000134708702 454580252 /nfs/dbraw/zinc/58/02/52/454580252.db2.gz SUAPKIPWIWTOBH-MSOLQXFVSA-N 1 2 349.425 3.318 10 30 EGEELO C=CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000134708702 454580258 /nfs/dbraw/zinc/58/02/58/454580258.db2.gz SUAPKIPWIWTOBH-MSOLQXFVSA-N 1 2 349.425 3.318 10 30 EGEELO CCOc1ccc([C@@H](C)Nc2[nH+]cnc3c2cnn3CCC#N)cc1 ZINC000065520290 454583304 /nfs/dbraw/zinc/58/33/04/454583304.db2.gz VEWBPUVZZHBALV-CYBMUJFWSA-N 1 2 336.399 3.312 10 30 EGEELO N#CC[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000154049461 454860359 /nfs/dbraw/zinc/86/03/59/454860359.db2.gz MVZSHDVOXOKWRE-OAHLLOKOSA-N 1 2 326.362 3.377 10 30 EGEELO N#CC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000154049461 454860364 /nfs/dbraw/zinc/86/03/64/454860364.db2.gz MVZSHDVOXOKWRE-OAHLLOKOSA-N 1 2 326.362 3.377 10 30 EGEELO C=CC[N@H+](Cc1cn2ccsc2n1)Cc1cccc([N+](=O)[O-])c1 ZINC000171080316 455027272 /nfs/dbraw/zinc/02/72/72/455027272.db2.gz BEIJCLHKIXCHST-UHFFFAOYSA-N 1 2 328.397 3.492 10 30 EGEELO C=CC[N@@H+](Cc1cn2ccsc2n1)Cc1cccc([N+](=O)[O-])c1 ZINC000171080316 455027275 /nfs/dbraw/zinc/02/72/75/455027275.db2.gz BEIJCLHKIXCHST-UHFFFAOYSA-N 1 2 328.397 3.492 10 30 EGEELO CC(C)c1nc(C2([NH2+]C[C@@H](O)c3ccc(C#N)cc3)CCCC2)no1 ZINC000156581855 455135465 /nfs/dbraw/zinc/13/54/65/455135465.db2.gz PALUZLKYIWULCM-MRXNPFEDSA-N 1 2 340.427 3.157 10 30 EGEELO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1nccs1 ZINC000185068856 455495640 /nfs/dbraw/zinc/49/56/40/455495640.db2.gz ZSJYIEGIMGNVKX-GXFFZTMASA-N 1 2 332.429 3.293 10 30 EGEELO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CC#Cc1ccccc1 ZINC000191850241 455525860 /nfs/dbraw/zinc/52/58/60/455525860.db2.gz GKGNFRVEWKCEBY-INIZCTEOSA-N 1 2 327.449 3.135 10 30 EGEELO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000191850241 455525865 /nfs/dbraw/zinc/52/58/65/455525865.db2.gz GKGNFRVEWKCEBY-INIZCTEOSA-N 1 2 327.449 3.135 10 30 EGEELO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1)C1CC1 ZINC000267677428 455553454 /nfs/dbraw/zinc/55/34/54/455553454.db2.gz PVAHRLPNJZJQDL-HKUYNNGSSA-N 1 2 329.419 3.161 10 30 EGEELO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1)C1CC1 ZINC000267677428 455553456 /nfs/dbraw/zinc/55/34/56/455553456.db2.gz PVAHRLPNJZJQDL-HKUYNNGSSA-N 1 2 329.419 3.161 10 30 EGEELO CCn1cc[nH+]c1[C@H](Nc1nccc(C)c1C#N)C1CCOCC1 ZINC000284516177 455699088 /nfs/dbraw/zinc/69/90/88/455699088.db2.gz INCXQBKONBBFGA-MRXNPFEDSA-N 1 2 325.416 3.058 10 30 EGEELO CC[N@H+](CCC#N)C[C@](C)(O)c1ccc(Br)cc1F ZINC000292791541 455758378 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C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2noc(COCC)n2)cc1 ZINC000290254003 456275664 /nfs/dbraw/zinc/27/56/64/456275664.db2.gz ULYSHOQPEJEDPU-ZIAGYGMSSA-N 1 2 329.400 3.030 10 30 EGEELO Cc1cc(C#N)ccc1C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352784752 456305113 /nfs/dbraw/zinc/30/51/13/456305113.db2.gz WILZDEZLZNPHCH-SFHVURJKSA-N 1 2 330.391 3.451 10 30 EGEELO Cc1cc[nH+]cc1N1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000337277091 456343010 /nfs/dbraw/zinc/34/30/10/456343010.db2.gz GPGRRESSGAFALS-IBGZPJMESA-N 1 2 348.450 3.126 10 30 EGEELO C=CCSCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282221693 456447262 /nfs/dbraw/zinc/44/72/62/456447262.db2.gz RIPNBKRYYVYNTL-HNNXBMFYSA-N 1 2 348.516 3.028 10 30 EGEELO Cc1oc(C#N)cc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282338979 456483065 /nfs/dbraw/zinc/48/30/65/456483065.db2.gz OLVNYAUEMSIUGE-AWEZNQCLSA-N 1 2 338.411 3.012 10 30 EGEELO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000343292171 456511490 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EGEELO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329891863 456956934 /nfs/dbraw/zinc/95/69/34/456956934.db2.gz IMCWJERBVKWBAW-CKEIUWERSA-N 1 2 331.460 3.433 10 30 EGEELO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)c(C)c1 ZINC000329962128 456967273 /nfs/dbraw/zinc/96/72/73/456967273.db2.gz SOGXFAHKODHYDK-MRXNPFEDSA-N 1 2 331.460 3.162 10 30 EGEELO Cc1cc(C)c(CCNC(=O)C[N@H+]2CCCNC(=O)[C@H]2C)c(C)c1 ZINC000329962128 456967277 /nfs/dbraw/zinc/96/72/77/456967277.db2.gz SOGXFAHKODHYDK-MRXNPFEDSA-N 1 2 331.460 3.162 10 30 EGEELO Cc1[nH+]ccn1CCCNC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000330398310 457039102 /nfs/dbraw/zinc/03/91/02/457039102.db2.gz PYSPIORRLWJUMZ-CYBMUJFWSA-N 1 2 346.397 3.406 10 30 EGEELO CC1(C)CCCC[C@@H]1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330980839 457114558 /nfs/dbraw/zinc/11/45/58/457114558.db2.gz MXOSXOYCOQHEAG-NSHDSACASA-N 1 2 332.370 3.418 10 30 EGEELO CC1(C#N)CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000360269067 457298399 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C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1)c1ccc2c(c1)CCCC2 ZINC000595841025 459461078 /nfs/dbraw/zinc/46/10/78/459461078.db2.gz UFCBIAKVKJXIBG-QYWGDWMGSA-N 1 2 339.483 3.367 10 30 EGEELO CC12CC(C1)C[N@@H+]2CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000595916934 459485816 /nfs/dbraw/zinc/48/58/16/459485816.db2.gz UYARHBIHEXHHKJ-UHFFFAOYSA-N 1 2 329.469 3.311 10 30 EGEELO CC12CC(C1)C[N@H+]2CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000595916934 459485820 /nfs/dbraw/zinc/48/58/20/459485820.db2.gz UYARHBIHEXHHKJ-UHFFFAOYSA-N 1 2 329.469 3.311 10 30 EGEELO COC(=O)Cc1cc[nH+]c(NCCSCc2ccccc2C#N)c1 ZINC000596059559 459504584 /nfs/dbraw/zinc/50/45/84/459504584.db2.gz QCOUTKWOGXLENU-UHFFFAOYSA-N 1 2 341.436 3.014 10 30 EGEELO N#CCC1CC[NH+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CC1 ZINC000541951855 459514134 /nfs/dbraw/zinc/51/41/34/459514134.db2.gz MIDOUUBFAXFDGW-UHFFFAOYSA-N 1 2 328.441 3.011 10 30 EGEELO CCc1nc(C#N)cc(N[C@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000596287571 459584568 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Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000597183572 459866429 /nfs/dbraw/zinc/86/64/29/459866429.db2.gz LNEVMXNTZNLFNP-UHFFFAOYSA-N 1 2 342.424 3.159 10 30 EGEELO CC[N@H+](CC(=O)NCC1(C#N)CCCC1)Cc1ccccc1Cl ZINC000593785994 459984922 /nfs/dbraw/zinc/98/49/22/459984922.db2.gz FIGOSGVDENPHJE-UHFFFAOYSA-N 1 2 333.863 3.362 10 30 EGEELO CC[N@@H+](CC(=O)NCC1(C#N)CCCC1)Cc1ccccc1Cl ZINC000593785994 459984927 /nfs/dbraw/zinc/98/49/27/459984927.db2.gz FIGOSGVDENPHJE-UHFFFAOYSA-N 1 2 333.863 3.362 10 30 EGEELO CC(C)(C#N)c1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C(N)=O)cc1 ZINC000614174277 460040110 /nfs/dbraw/zinc/04/01/10/460040110.db2.gz ROGIRGRJUFDVNR-IBGZPJMESA-N 1 2 333.435 3.072 10 30 EGEELO CC(C)(C#N)c1ccc(C[N@H+]2CCc3ccccc3[C@H]2C(N)=O)cc1 ZINC000614174277 460040114 /nfs/dbraw/zinc/04/01/14/460040114.db2.gz ROGIRGRJUFDVNR-IBGZPJMESA-N 1 2 333.435 3.072 10 30 EGEELO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c(C)n1 ZINC000614182403 460040694 /nfs/dbraw/zinc/04/06/94/460040694.db2.gz 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C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679422 460308203 /nfs/dbraw/zinc/30/82/03/460308203.db2.gz RRWGGSCXNSKJMN-MRXNPFEDSA-N 1 2 343.434 3.453 10 30 EGEELO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679422 460308207 /nfs/dbraw/zinc/30/82/07/460308207.db2.gz RRWGGSCXNSKJMN-MRXNPFEDSA-N 1 2 343.434 3.453 10 30 EGEELO N#CCc1cccc2c1CC[N@@H+]([C@@H]1CCN(c3ccc(F)cc3)C1=O)C2 ZINC000599679145 460308293 /nfs/dbraw/zinc/30/82/93/460308293.db2.gz WNRYFZGTXIARFQ-HXUWFJFHSA-N 1 2 349.409 3.055 10 30 EGEELO N#CCc1cccc2c1CC[N@H+]([C@@H]1CCN(c3ccc(F)cc3)C1=O)C2 ZINC000599679145 460308296 /nfs/dbraw/zinc/30/82/96/460308296.db2.gz WNRYFZGTXIARFQ-HXUWFJFHSA-N 1 2 349.409 3.055 10 30 EGEELO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000626009460 460336727 /nfs/dbraw/zinc/33/67/27/460336727.db2.gz JUFIIDGFJYRZRD-HNNXBMFYSA-N 1 2 337.261 3.197 10 30 EGEELO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000626009460 460336732 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EGEELO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CC(F)(F)C(F)(F)F ZINC001690460370 1404591905 /nfs/dbraw/zinc/59/19/05/1404591905.db2.gz BSLZRQIRTWQWCM-SNVBAGLBSA-N 1 2 348.743 3.297 10 30 EGEELO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC(F)(F)C(F)(F)F ZINC001690460370 1404591907 /nfs/dbraw/zinc/59/19/07/1404591907.db2.gz BSLZRQIRTWQWCM-SNVBAGLBSA-N 1 2 348.743 3.297 10 30 EGEELO C=C[C@H](CC)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001690818571 1404754352 /nfs/dbraw/zinc/75/43/52/1404754352.db2.gz JFGSLJPVMOVVOO-CVEARBPZSA-N 1 2 335.517 3.477 10 30 EGEELO C=C[C@H](CC)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001690818571 1404754353 /nfs/dbraw/zinc/75/43/53/1404754353.db2.gz JFGSLJPVMOVVOO-CVEARBPZSA-N 1 2 335.517 3.477 10 30 EGEELO CC[C@@H](CC1CCCCC1)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001691061316 1404983885 /nfs/dbraw/zinc/98/38/85/1404983885.db2.gz FORAVQYQWTUKBE-VQTJNVASSA-N 1 2 348.531 3.166 10 30 EGEELO CC[C@@H](CC1CCCCC1)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001691061316 1404983888 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C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@H]1CCCC12CC2 ZINC001691183906 1405121832 /nfs/dbraw/zinc/12/18/32/1405121832.db2.gz TVBATSWNDULHQJ-CQSZACIVSA-N 1 2 343.309 3.304 10 30 EGEELO C#CCC1(C(=O)NCC[N@@H+](CCC)Cc2nocc2C)CCCCC1 ZINC001691198003 1405137297 /nfs/dbraw/zinc/13/72/97/1405137297.db2.gz CKFWDFMWIDMGPJ-UHFFFAOYSA-N 1 2 345.487 3.285 10 30 EGEELO C#CCC1(C(=O)NCC[N@H+](CCC)Cc2nocc2C)CCCCC1 ZINC001691198003 1405137300 /nfs/dbraw/zinc/13/73/00/1405137300.db2.gz CKFWDFMWIDMGPJ-UHFFFAOYSA-N 1 2 345.487 3.285 10 30 EGEELO C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CC[NH2+]Cc1noc(C(C)C)n1 ZINC001691294725 1405193466 /nfs/dbraw/zinc/19/34/66/1405193466.db2.gz MJMYECYLGVBPFU-HZPDHXFCSA-N 1 2 348.491 3.266 10 30 EGEELO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(C)(C)C ZINC001691386346 1405222917 /nfs/dbraw/zinc/22/29/17/1405222917.db2.gz UMYQMLBKYOVQAY-LPHOPBHVSA-N 1 2 344.474 3.392 10 30 EGEELO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(C)(C)C ZINC001691386346 1405222920 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BPDSCROKYZIPSF-QGZVFWFLSA-N 1 2 344.503 3.027 10 30 EGEELO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cnn(C(C)(C)C)c2)C1 ZINC001691398439 1405235698 /nfs/dbraw/zinc/23/56/98/1405235698.db2.gz BPDSCROKYZIPSF-QGZVFWFLSA-N 1 2 344.503 3.027 10 30 EGEELO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@@H+]1Cc1cccc(F)c1F ZINC001691669592 1405402186 /nfs/dbraw/zinc/40/21/86/1405402186.db2.gz WUWAEWZZHIHNLW-CJNGLKHVSA-N 1 2 334.410 3.093 10 30 EGEELO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@H+]1Cc1cccc(F)c1F ZINC001691669592 1405402188 /nfs/dbraw/zinc/40/21/88/1405402188.db2.gz WUWAEWZZHIHNLW-CJNGLKHVSA-N 1 2 334.410 3.093 10 30 EGEELO CCCCCCC[NH+]1CC(NC(=O)c2c(C)noc2C(F)(F)F)C1 ZINC001692236232 1405862197 /nfs/dbraw/zinc/86/21/97/1405862197.db2.gz WOEPDAYRMRKNKC-UHFFFAOYSA-N 1 2 347.381 3.386 10 30 EGEELO C=CCCCC(=O)N1C[C@@H]2C[N@H+](C/C(Cl)=C\Cl)CC[C@@H]2C1 ZINC001692277790 1405911388 /nfs/dbraw/zinc/91/13/88/1405911388.db2.gz PTDDEVIIKNRGFF-IJEKBPOVSA-N 1 2 331.287 3.442 10 30 EGEELO C=CCCCC(=O)N1C[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)CC[C@@H]2C1 ZINC001692277790 1405911391 /nfs/dbraw/zinc/91/13/91/1405911391.db2.gz PTDDEVIIKNRGFF-IJEKBPOVSA-N 1 2 331.287 3.442 10 30 EGEELO N#Cc1cc(C[NH+]2CC(CNC(=O)C(F)=C3CCCC3)C2)ccc1F ZINC001692292614 1405923612 /nfs/dbraw/zinc/92/36/12/1405923612.db2.gz GWHWQZZAJFDTCY-UHFFFAOYSA-N 1 2 345.393 3.043 10 30 EGEELO C[C@@H]1CCC[C@@]1(C)C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001692331591 1405949807 /nfs/dbraw/zinc/94/98/07/1405949807.db2.gz NMXBWJBONDLLRJ-JLTOFOAXSA-N 1 2 343.446 3.072 10 30 EGEELO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@@H+]1Cc1c(F)cccc1F ZINC001692359318 1405973659 /nfs/dbraw/zinc/97/36/59/1405973659.db2.gz LCOPWZSNLCEUKX-DYVFJYSZSA-N 1 2 334.410 3.093 10 30 EGEELO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@H+]1Cc1c(F)cccc1F ZINC001692359318 1405973662 /nfs/dbraw/zinc/97/36/62/1405973662.db2.gz LCOPWZSNLCEUKX-DYVFJYSZSA-N 1 2 334.410 3.093 10 30 EGEELO CC[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)C(C)C ZINC001698553772 1406151564 /nfs/dbraw/zinc/15/15/64/1406151564.db2.gz WDTOILLNQPGLCI-SJLPKXTDSA-N 1 2 345.462 3.460 10 30 EGEELO CC[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)C(C)C ZINC001698553772 1406151565 /nfs/dbraw/zinc/15/15/65/1406151565.db2.gz WDTOILLNQPGLCI-SJLPKXTDSA-N 1 2 345.462 3.460 10 30 EGEELO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001698567088 1406170158 /nfs/dbraw/zinc/17/01/58/1406170158.db2.gz KCYYWDSCBTYCDM-CVEARBPZSA-N 1 2 345.487 3.188 10 30 EGEELO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001698567088 1406170159 /nfs/dbraw/zinc/17/01/59/1406170159.db2.gz KCYYWDSCBTYCDM-CVEARBPZSA-N 1 2 345.487 3.188 10 30 EGEELO C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001732038247 1428261798 /nfs/dbraw/zinc/26/17/98/1428261798.db2.gz DOSFYZPMVFCKOK-SJORKVTESA-N 1 2 330.476 3.207 10 30 EGEELO C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001732038247 1428261801 /nfs/dbraw/zinc/26/18/01/1428261801.db2.gz DOSFYZPMVFCKOK-SJORKVTESA-N 1 2 330.476 3.207 10 30 EGEELO C#CCCCC(=O)NCC1C[NH+](Cc2cccc(Cl)c2Cl)C1 ZINC001732124570 1428374320 /nfs/dbraw/zinc/37/43/20/1428374320.db2.gz CVWWGGUGFICTFD-UHFFFAOYSA-N 1 2 339.266 3.345 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001732167256 1428410788 /nfs/dbraw/zinc/41/07/88/1428410788.db2.gz CJSSZEXEORVMCB-HOTGVXAUSA-N 1 2 335.879 3.251 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001732167256 1428410791 /nfs/dbraw/zinc/41/07/91/1428410791.db2.gz CJSSZEXEORVMCB-HOTGVXAUSA-N 1 2 335.879 3.251 10 30 EGEELO C=CCCCC(=O)NC[C@H]1C[N@H+](Cc2cc3ccccc3o2)CCO1 ZINC001732384247 1428556797 /nfs/dbraw/zinc/55/67/97/1428556797.db2.gz QIDDPNIREHJHJK-SFHVURJKSA-N 1 2 342.439 3.106 10 30 EGEELO C=CCCCC(=O)NC[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC001732384247 1428556798 /nfs/dbraw/zinc/55/67/98/1428556798.db2.gz QIDDPNIREHJHJK-SFHVURJKSA-N 1 2 342.439 3.106 10 30 EGEELO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(F)c(Cl)c1F ZINC001699461222 1412815790 /nfs/dbraw/zinc/81/57/90/1412815790.db2.gz WPHLUVREUBCCJW-SECBINFHSA-N 1 2 337.197 3.421 10 30 EGEELO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(F)c(Cl)c1F ZINC001699461222 1412815795 /nfs/dbraw/zinc/81/57/95/1412815795.db2.gz WPHLUVREUBCCJW-SECBINFHSA-N 1 2 337.197 3.421 10 30 EGEELO CCCCCC(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001699808645 1413223947 /nfs/dbraw/zinc/22/39/47/1413223947.db2.gz CEIZRKFPJWQDRL-LJQANCHMSA-N 1 2 331.435 3.358 10 30 EGEELO CCCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001699808645 1413223950 /nfs/dbraw/zinc/22/39/50/1413223950.db2.gz CEIZRKFPJWQDRL-LJQANCHMSA-N 1 2 331.435 3.358 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CCC[N@H+](Cc2ncc(C)cn2)C1 ZINC001699871705 1413320724 /nfs/dbraw/zinc/32/07/24/1413320724.db2.gz FFRLMLDZCFUHFK-PMACEKPBSA-N 1 2 344.503 3.106 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CCC[N@@H+](Cc2ncc(C)cn2)C1 ZINC001699871705 1413320728 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/nfs/dbraw/zinc/08/29/66/1430082966.db2.gz KDYFKDXWDWKLJM-PMQIGOLDSA-N 1 2 344.886 3.332 10 30 EGEELO CC(C)c1cnc(C[N@@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C[C@H]2C)o1 ZINC001733894998 1437712209 /nfs/dbraw/zinc/71/22/09/1437712209.db2.gz QTQGGRVIWNRPDU-HZPDHXFCSA-N 1 2 345.487 3.317 10 30 EGEELO CC(C)c1cnc(C[N@H+]2CC[C@@H](NC(=O)C#CC(C)(C)C)C[C@H]2C)o1 ZINC001733894998 1437712213 /nfs/dbraw/zinc/71/22/13/1437712213.db2.gz QTQGGRVIWNRPDU-HZPDHXFCSA-N 1 2 345.487 3.317 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)[C@@H](C)C2)CCCC1 ZINC001733904298 1437722698 /nfs/dbraw/zinc/72/26/98/1437722698.db2.gz ZTDIZQRMXNMAND-DLBZAZTESA-N 1 2 344.503 3.026 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3nccn3C)[C@@H](C)C2)CCCC1 ZINC001733904298 1437722699 /nfs/dbraw/zinc/72/26/99/1437722699.db2.gz ZTDIZQRMXNMAND-DLBZAZTESA-N 1 2 344.503 3.026 10 30 EGEELO C=C1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2nc(CCCC)no2)CC1 ZINC001733986634 1437782992 /nfs/dbraw/zinc/78/29/92/1437782992.db2.gz 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231012153 /nfs/dbraw/zinc/01/21/53/231012153.db2.gz AYJCKMPYWIXQGR-UHFFFAOYSA-N 1 2 338.411 3.257 10 30 EGEELO Cn1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)c(C(F)(F)F)n1 ZINC000155161195 530014640 /nfs/dbraw/zinc/01/46/40/530014640.db2.gz ALTIBCPHOCBZPM-UHFFFAOYSA-N 1 2 326.297 3.082 10 30 EGEELO Cn1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c(C(F)(F)F)n1 ZINC000155161195 530014641 /nfs/dbraw/zinc/01/46/41/530014641.db2.gz ALTIBCPHOCBZPM-UHFFFAOYSA-N 1 2 326.297 3.082 10 30 EGEELO C=C(C)C(=O)NCCCCCc1[nH+]c2ccccc2n1CCOC ZINC000040219851 213282736 /nfs/dbraw/zinc/28/27/36/213282736.db2.gz BWOZFUCDLHZDJE-UHFFFAOYSA-N 1 2 329.444 3.088 10 30 EGEELO COc1cccc([C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)CCO2)c1 ZINC000119011212 221222535 /nfs/dbraw/zinc/22/25/35/221222535.db2.gz LERNMPYNXKAVFD-LJQANCHMSA-N 1 2 326.371 3.279 10 30 EGEELO COc1cccc([C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)CCO2)c1 ZINC000119011212 221222537 /nfs/dbraw/zinc/22/25/37/221222537.db2.gz LERNMPYNXKAVFD-LJQANCHMSA-N 1 2 326.371 3.279 10 30 EGEELO Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000350717734 141262292 /nfs/dbraw/zinc/26/22/92/141262292.db2.gz AZOMWDIUTSJJPW-UHFFFAOYSA-N 1 2 349.434 3.349 10 30 EGEELO N#Cc1csc(C[NH2+]Cc2ccncc2OCc2ccccc2)n1 ZINC000352944158 141274190 /nfs/dbraw/zinc/27/41/90/141274190.db2.gz ONLXOJGNMQQVJX-UHFFFAOYSA-N 1 2 336.420 3.279 10 30 EGEELO COc1ccccc1[C@@H](C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000341069790 155138823 /nfs/dbraw/zinc/13/88/23/155138823.db2.gz PAWLOXIWFVLXRR-CYBMUJFWSA-N 1 2 334.379 3.468 10 30 EGEELO Cc1cccn2cc(C[S@@](=O)Cc3ccc(C#N)c(F)c3)[nH+]c12 ZINC000190817523 153161960 /nfs/dbraw/zinc/16/19/60/153161960.db2.gz CBVKDYAUEQSEMS-QHCPKHFHSA-N 1 2 327.384 3.102 10 30 EGEELO N#Cc1cccc(N2CC[NH+](Cc3cc(F)ccc3Cl)CC2)n1 ZINC000445796138 270052530 /nfs/dbraw/zinc/05/25/30/270052530.db2.gz YVOMGZPUWBFCIV-UHFFFAOYSA-N 1 2 330.794 3.068 10 30 EGEELO CCC[N@H+](C[C@@H]1CCCCO1)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000411367453 267011917 /nfs/dbraw/zinc/01/19/17/267011917.db2.gz LHVCXYIMNFTGMX-ZWKOTPCHSA-N 1 2 330.428 3.053 10 30 EGEELO CCC[N@@H+](C[C@@H]1CCCCO1)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000411367453 267011918 /nfs/dbraw/zinc/01/19/18/267011918.db2.gz LHVCXYIMNFTGMX-ZWKOTPCHSA-N 1 2 330.428 3.053 10 30 EGEELO Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282438276 267306415 /nfs/dbraw/zinc/30/64/15/267306415.db2.gz UTZPSVQBCSEVPS-KRWDZBQOSA-N 1 2 348.450 3.419 10 30 EGEELO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000425529367 267863749 /nfs/dbraw/zinc/86/37/49/267863749.db2.gz BJNSFFLFAWERSY-MRXNPFEDSA-N 1 2 346.434 3.188 10 30 EGEELO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000425529367 267863751 /nfs/dbraw/zinc/86/37/51/267863751.db2.gz BJNSFFLFAWERSY-MRXNPFEDSA-N 1 2 346.434 3.188 10 30 EGEELO Cc1cccc(N2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)c1C ZINC000158914482 307865378 /nfs/dbraw/zinc/86/53/78/307865378.db2.gz RHVGRSIBUNTINF-UHFFFAOYSA-N 1 2 345.450 3.145 10 30 EGEELO Cc1cc(N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C#N)c[nH+]1 ZINC000572477440 317344886 /nfs/dbraw/zinc/34/48/86/317344886.db2.gz WHAZMCPWUJKOIV-MRXNPFEDSA-N 1 2 344.422 3.431 10 30 EGEELO COc1ccc(C#N)cc1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000178972933 323363815 /nfs/dbraw/zinc/36/38/15/323363815.db2.gz HSFMYHLJTSWRFF-UHFFFAOYSA-N 1 2 348.406 3.030 10 30 EGEELO N#CCCOCC[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000339097060 456939447 /nfs/dbraw/zinc/93/94/47/456939447.db2.gz KKLHMMQTSGFGEV-UHFFFAOYSA-N 1 2 328.243 3.046 10 30 EGEELO CCc1nc(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)n[nH]1 ZINC000190686664 455366465 /nfs/dbraw/zinc/36/64/65/455366465.db2.gz HJDNQZOSIOHVHL-UHFFFAOYSA-N 1 2 328.847 3.252 10 30 EGEELO Cc1ccc(-c2noc(CO[NH+]=C(N)c3ccc(F)cc3)n2)cc1 ZINC000050513478 454588459 /nfs/dbraw/zinc/58/84/59/454588459.db2.gz ZJSQPZSYPGLZRF-UHFFFAOYSA-N 1 2 326.331 3.021 10 30 EGEELO Cc1csc([C@H]2C[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)CCO2)n1 ZINC000092789947 454634081 /nfs/dbraw/zinc/63/40/81/454634081.db2.gz ZMVLWDBFUIPLEZ-WMLDXEAASA-N 1 2 343.452 3.316 10 30 EGEELO Cc1csc([C@H]2C[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)CCO2)n1 ZINC000092789947 454634083 /nfs/dbraw/zinc/63/40/83/454634083.db2.gz ZMVLWDBFUIPLEZ-WMLDXEAASA-N 1 2 343.452 3.316 10 30 EGEELO C=CCOc1ccccc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112666085 454895268 /nfs/dbraw/zinc/89/52/68/454895268.db2.gz QNQFTRMQOZCLNE-UHFFFAOYSA-N 1 2 339.439 3.307 10 30 EGEELO N#CCC(=O)Nc1cccc(-c2ccn(-c3cc[nH+]c4[nH]ccc43)n2)c1 ZINC000113130023 454914131 /nfs/dbraw/zinc/91/41/31/454914131.db2.gz VUSIZWZHCNRKGV-UHFFFAOYSA-N 1 2 342.362 3.268 10 30 EGEELO C=CCC(CC=C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000151233025 454955911 /nfs/dbraw/zinc/95/59/11/454955911.db2.gz VVTFYYUWHZMALK-WBVHZDCISA-N 1 2 348.512 3.395 10 30 EGEELO C=CCC(CC=C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000151233025 454955915 /nfs/dbraw/zinc/95/59/15/454955915.db2.gz VVTFYYUWHZMALK-WBVHZDCISA-N 1 2 348.512 3.395 10 30 EGEELO N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cc1 ZINC000127364680 454958161 /nfs/dbraw/zinc/95/81/61/454958161.db2.gz JORBXTDICIDKQK-UHFFFAOYSA-N 1 2 349.415 3.349 10 30 EGEELO C[C@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128544906 455066780 /nfs/dbraw/zinc/06/67/80/455066780.db2.gz HSZWXGTWAWKHSD-CYBMUJFWSA-N 1 2 334.466 3.086 10 30 EGEELO C[C@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128544906 455066783 /nfs/dbraw/zinc/06/67/83/455066783.db2.gz HSZWXGTWAWKHSD-CYBMUJFWSA-N 1 2 334.466 3.086 10 30 EGEELO CC(C)c1[nH+]c2c(n1C)CCN(CCCOc1cccc(C#N)c1)C2 ZINC000156256003 455098080 /nfs/dbraw/zinc/09/80/80/455098080.db2.gz DHGCAAMTMVQJER-UHFFFAOYSA-N 1 2 338.455 3.242 10 30 EGEELO CC(C)c1nc2c(n1C)CC[N@H+](CCCOc1cccc(C#N)c1)C2 ZINC000156256003 455098084 /nfs/dbraw/zinc/09/80/84/455098084.db2.gz DHGCAAMTMVQJER-UHFFFAOYSA-N 1 2 338.455 3.242 10 30 EGEELO CC(C)c1nc2c(n1C)CC[N@@H+](CCCOc1cccc(C#N)c1)C2 ZINC000156256003 455098088 /nfs/dbraw/zinc/09/80/88/455098088.db2.gz 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ZINC000158597174 455314849 /nfs/dbraw/zinc/31/48/49/455314849.db2.gz XHPPYMJYZMOULT-LJQANCHMSA-N 1 2 326.396 3.302 10 30 EGEELO C[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173914213 455340401 /nfs/dbraw/zinc/34/04/01/455340401.db2.gz XBQXBZVIDIDQQV-OAHLLOKOSA-N 1 2 330.391 3.164 10 30 EGEELO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@@H](c2ccsc2)O1 ZINC000245692270 455356815 /nfs/dbraw/zinc/35/68/15/455356815.db2.gz BQYUHZXLUXYKEG-DYVFJYSZSA-N 1 2 338.436 3.229 10 30 EGEELO C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(Cl)cc1 ZINC000245933473 455403168 /nfs/dbraw/zinc/40/31/68/455403168.db2.gz VEORSTNFGZHBQH-GOEBONIOSA-N 1 2 345.855 3.448 10 30 EGEELO C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(Cl)cc1 ZINC000245933473 455403171 /nfs/dbraw/zinc/40/31/71/455403171.db2.gz VEORSTNFGZHBQH-GOEBONIOSA-N 1 2 345.855 3.448 10 30 EGEELO Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000284464973 455690375 /nfs/dbraw/zinc/69/03/75/455690375.db2.gz AWDGNFDSPNEYIP-KRWDZBQOSA-N 1 2 338.411 3.049 10 30 EGEELO Cc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1Cl ZINC000193650843 455769467 /nfs/dbraw/zinc/76/94/67/455769467.db2.gz PECOSXGQGZRHCI-UHFFFAOYSA-N 1 2 326.831 3.237 10 30 EGEELO CC[N@H+](CCCNC(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272429687 455948194 /nfs/dbraw/zinc/94/81/94/455948194.db2.gz OVAHTDAKEGYLDS-UHFFFAOYSA-N 1 2 328.460 3.238 10 30 EGEELO CC[N@@H+](CCCNC(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272429687 455948197 /nfs/dbraw/zinc/94/81/97/455948197.db2.gz OVAHTDAKEGYLDS-UHFFFAOYSA-N 1 2 328.460 3.238 10 30 EGEELO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCC(C)(C#N)CC1 ZINC000272445312 455953491 /nfs/dbraw/zinc/95/34/91/455953491.db2.gz RSNKTNMMQWVYGZ-UHFFFAOYSA-N 1 2 339.443 3.070 10 30 EGEELO CCCC[C@H](ON=C(C)C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000272738127 456056562 /nfs/dbraw/zinc/05/65/62/456056562.db2.gz LOOAQWJHLQAHJB-KRWDZBQOSA-N 1 2 346.475 3.269 10 30 EGEELO Cc1cc[nH+]cc1N1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000337277092 456343184 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C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329891864 456956972 /nfs/dbraw/zinc/95/69/72/456956972.db2.gz IMCWJERBVKWBAW-JJRVBVJISA-N 1 2 331.460 3.433 10 30 EGEELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000330525426 457052900 /nfs/dbraw/zinc/05/29/00/457052900.db2.gz VGMRVALKSFNBQZ-HUUCEWRRSA-N 1 2 336.480 3.136 10 30 EGEELO N#Cc1ccc(OCc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000356606220 457080771 /nfs/dbraw/zinc/08/07/71/457080771.db2.gz VRRSCQREXBNYLS-UHFFFAOYSA-N 1 2 343.346 3.373 10 30 EGEELO N#Cc1cccnc1N1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000349977177 457130789 /nfs/dbraw/zinc/13/07/89/457130789.db2.gz REKDQJHUAJRASL-RQOWECAXSA-N 1 2 340.377 3.067 10 30 EGEELO C=CC[C@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000346740391 457142737 /nfs/dbraw/zinc/14/27/37/457142737.db2.gz YUMNMXINBRPVQI-DOTOQJQBSA-N 1 2 342.443 3.172 10 30 EGEELO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cscc2C#N)CC1 ZINC000346778261 457165059 /nfs/dbraw/zinc/16/50/59/457165059.db2.gz GHIQEWUTTICURW-GFCCVEGCSA-N 1 2 331.466 3.200 10 30 EGEELO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC1(C#N)CC1 ZINC000347497335 457466667 /nfs/dbraw/zinc/46/66/67/457466667.db2.gz YSHQUHPWAZNBRG-VQIMIIECSA-N 1 2 326.488 3.226 10 30 EGEELO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC1(C#N)CC1 ZINC000347497335 457466671 /nfs/dbraw/zinc/46/66/71/457466671.db2.gz YSHQUHPWAZNBRG-VQIMIIECSA-N 1 2 326.488 3.226 10 30 EGEELO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000425365287 457520134 /nfs/dbraw/zinc/52/01/34/457520134.db2.gz JVHWUCFVGANPQD-CQSZACIVSA-N 1 2 328.437 3.155 10 30 EGEELO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000425365287 457520141 /nfs/dbraw/zinc/52/01/41/457520141.db2.gz JVHWUCFVGANPQD-CQSZACIVSA-N 1 2 328.437 3.155 10 30 EGEELO CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365625597 457767793 /nfs/dbraw/zinc/76/77/93/457767793.db2.gz MNMBZRUGPCQBOU-HOTGVXAUSA-N 1 2 334.464 3.097 10 30 EGEELO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1sccc1C#N ZINC000362015863 458006305 /nfs/dbraw/zinc/00/63/05/458006305.db2.gz GRJYTYDJFYIRCK-UHFFFAOYSA-N 1 2 336.420 3.137 10 30 EGEELO C[C@H](C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000369110709 458084652 /nfs/dbraw/zinc/08/46/52/458084652.db2.gz CLOSBPCDHQEXPO-CXAGYDPISA-N 1 2 337.389 3.481 10 30 EGEELO C[C@H](C[N@H+]1CCN(C2CC2)[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000369110709 458084655 /nfs/dbraw/zinc/08/46/55/458084655.db2.gz CLOSBPCDHQEXPO-CXAGYDPISA-N 1 2 337.389 3.481 10 30 EGEELO C=CCOc1cccc(C[NH2+]Cc2nn(C)cc2Br)c1 ZINC000449483561 458424857 /nfs/dbraw/zinc/42/48/57/458424857.db2.gz JMJBOMZIVBKTSF-UHFFFAOYSA-N 1 2 336.233 3.037 10 30 EGEELO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC#Cc1ccccc1Cl)C[C@H](C)O2 ZINC000430279550 458433703 /nfs/dbraw/zinc/43/37/03/458433703.db2.gz UJMQPQXPTKWDEZ-JTDSTZFVSA-N 1 2 333.859 3.350 10 30 EGEELO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC#Cc1ccccc1Cl)C[C@H](C)O2 ZINC000430279550 458433706 /nfs/dbraw/zinc/43/37/06/458433706.db2.gz UJMQPQXPTKWDEZ-JTDSTZFVSA-N 1 2 333.859 3.350 10 30 EGEELO N#Cc1c(NCc2cccnc2-n2cc[nH+]c2)nc2cc(Cl)ccn12 ZINC000378058325 458614458 /nfs/dbraw/zinc/61/44/58/458614458.db2.gz QWQPIRKOKCMMIY-UHFFFAOYSA-N 1 2 349.785 3.052 10 30 EGEELO Cc1cc(C#N)ccc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000439063919 458649481 /nfs/dbraw/zinc/64/94/81/458649481.db2.gz PEAKVJJMYVVXCA-SFHVURJKSA-N 1 2 348.381 3.259 10 30 EGEELO OC[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000511628542 458779929 /nfs/dbraw/zinc/77/99/29/458779929.db2.gz NJXINYHGLDJDPJ-ZIAGYGMSSA-N 1 2 331.765 3.184 10 30 EGEELO OC[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000511628542 458779934 /nfs/dbraw/zinc/77/99/34/458779934.db2.gz NJXINYHGLDJDPJ-ZIAGYGMSSA-N 1 2 331.765 3.184 10 30 EGEELO CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C#N)C(C)(C)C ZINC000552425226 458891717 /nfs/dbraw/zinc/89/17/17/458891717.db2.gz JMFTUHGEIAVBPQ-INIZCTEOSA-N 1 2 326.444 3.433 10 30 EGEELO C=CC[C@H](CC)NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000466366263 458896083 /nfs/dbraw/zinc/89/60/83/458896083.db2.gz FIVISVJZMFVYSV-HNNXBMFYSA-N 1 2 335.517 3.492 10 30 EGEELO N#CCCC[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000556680988 458988612 /nfs/dbraw/zinc/98/86/12/458988612.db2.gz HUIRIGFIJICBEJ-GOSISDBHSA-N 1 2 339.443 3.398 10 30 EGEELO COc1cc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)ccc1C#N ZINC000589949368 459056004 /nfs/dbraw/zinc/05/60/04/459056004.db2.gz OGMGNPMJOVPRMA-QGZVFWFLSA-N 1 2 325.416 3.096 10 30 EGEELO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)N(CCC#N)c1ccccc1 ZINC000594713024 459137371 /nfs/dbraw/zinc/13/73/71/459137371.db2.gz SEILABUHORMZHF-ZIAGYGMSSA-N 1 2 328.441 3.129 10 30 EGEELO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000532887719 459155320 /nfs/dbraw/zinc/15/53/20/459155320.db2.gz OJNZYHCTJNNDTN-KRWDZBQOSA-N 1 2 348.410 3.069 10 30 EGEELO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000532887719 459155324 /nfs/dbraw/zinc/15/53/24/459155324.db2.gz OJNZYHCTJNNDTN-KRWDZBQOSA-N 1 2 348.410 3.069 10 30 EGEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590600818 459158400 /nfs/dbraw/zinc/15/84/00/459158400.db2.gz NNDRAHSHEDNFIE-HKUYNNGSSA-N 1 2 335.407 3.047 10 30 EGEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590600818 459158404 /nfs/dbraw/zinc/15/84/04/459158404.db2.gz NNDRAHSHEDNFIE-HKUYNNGSSA-N 1 2 335.407 3.047 10 30 EGEELO Cc1ccc([C@@H](Cn2cc[nH+]c2)NCc2nc(C#N)cs2)c(C)c1 ZINC000558485972 459165371 /nfs/dbraw/zinc/16/53/71/459165371.db2.gz NNMCQMMWTLNHMP-QGZVFWFLSA-N 1 2 337.452 3.359 10 30 EGEELO CCc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)nc1 ZINC000591025962 459296751 /nfs/dbraw/zinc/29/67/51/459296751.db2.gz MPNSGMIKPXZEJT-FQEVSTJZSA-N 1 2 338.430 3.166 10 30 EGEELO Cc1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)o1 ZINC000595485415 459321074 /nfs/dbraw/zinc/32/10/74/459321074.db2.gz YNRCHAAJWSQMHX-UHFFFAOYSA-N 1 2 329.375 3.346 10 30 EGEELO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615800 459368908 /nfs/dbraw/zinc/36/89/08/459368908.db2.gz NXZUZSWDVYVXNG-GJZGRUSLSA-N 1 2 329.469 3.139 10 30 EGEELO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615800 459368915 /nfs/dbraw/zinc/36/89/15/459368915.db2.gz NXZUZSWDVYVXNG-GJZGRUSLSA-N 1 2 329.469 3.139 10 30 EGEELO N#Cc1cccc(C2([NH2+]Cc3nnc(C4CC4)s3)CCOCC2)c1 ZINC000595770228 459433482 /nfs/dbraw/zinc/43/34/82/459433482.db2.gz WAPRTUAXRHLSTM-UHFFFAOYSA-N 1 2 340.452 3.083 10 30 EGEELO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595782965 459438951 /nfs/dbraw/zinc/43/89/51/459438951.db2.gz LCMZAOVXYGWHJT-GOSISDBHSA-N 1 2 329.400 3.248 10 30 EGEELO C[C@]1(C#N)CC[N@@H+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000595838314 459459039 /nfs/dbraw/zinc/45/90/39/459459039.db2.gz SXQXSVZFXYPBLR-MAUKXSAKSA-N 1 2 349.381 3.019 10 30 EGEELO C[C@]1(C#N)CC[N@H+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000595838314 459459047 /nfs/dbraw/zinc/45/90/47/459459047.db2.gz SXQXSVZFXYPBLR-MAUKXSAKSA-N 1 2 349.381 3.019 10 30 EGEELO Cc1cccc2[nH+]c(CCNC(=O)N[C@@H](C)c3ccc(C#N)cc3)cn21 ZINC000591909142 459480456 /nfs/dbraw/zinc/48/04/56/459480456.db2.gz GTZSBLNXHOKAKR-HNNXBMFYSA-N 1 2 347.422 3.117 10 30 EGEELO COc1cccc(C[N@@H+](Cc2ccncc2C#N)C[C@@H]2CCCO2)c1 ZINC000592061465 459518066 /nfs/dbraw/zinc/51/80/66/459518066.db2.gz BZUVRRVDFUHNLT-FQEVSTJZSA-N 1 2 337.423 3.143 10 30 EGEELO COc1cccc(C[N@H+](Cc2ccncc2C#N)C[C@@H]2CCCO2)c1 ZINC000592061465 459518070 /nfs/dbraw/zinc/51/80/70/459518070.db2.gz BZUVRRVDFUHNLT-FQEVSTJZSA-N 1 2 337.423 3.143 10 30 EGEELO COc1ccc(C[N@H+](C)Cc2ccncc2C#N)cc1OC(F)F ZINC000592059367 459518488 /nfs/dbraw/zinc/51/84/88/459518488.db2.gz LMVARERKAOZFBT-UHFFFAOYSA-N 1 2 333.338 3.195 10 30 EGEELO COc1ccc(C[N@@H+](C)Cc2ccncc2C#N)cc1OC(F)F ZINC000592059367 459518493 /nfs/dbraw/zinc/51/84/93/459518493.db2.gz LMVARERKAOZFBT-UHFFFAOYSA-N 1 2 333.338 3.195 10 30 EGEELO O=[N+]([O-])c1ccn(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)n1 ZINC000488722404 459549278 /nfs/dbraw/zinc/54/92/78/459549278.db2.gz OMULOSLJOZQPCZ-UHFFFAOYSA-N 1 2 344.802 3.133 10 30 EGEELO CC(C)Cn1cc[nH+]c1CNC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000596390731 459619130 /nfs/dbraw/zinc/61/91/30/459619130.db2.gz DSBQVVRJJVRMMM-UHFFFAOYSA-N 1 2 339.443 3.145 10 30 EGEELO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000593015676 459739578 /nfs/dbraw/zinc/73/95/78/459739578.db2.gz WVVGZKMYWQLSAK-IBGZPJMESA-N 1 2 337.379 3.214 10 30 EGEELO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCO1 ZINC000593015676 459739582 /nfs/dbraw/zinc/73/95/82/459739582.db2.gz WVVGZKMYWQLSAK-IBGZPJMESA-N 1 2 337.379 3.214 10 30 EGEELO C[C@@H](CC#N)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000596796547 459764623 /nfs/dbraw/zinc/76/46/23/459764623.db2.gz KLBUBTJTMULQKO-SWLSCSKDSA-N 1 2 337.826 3.282 10 30 EGEELO CC1(C)C[NH+](CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)C1 ZINC000563897526 459769347 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N#Cc1ccc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000619067537 460261317 /nfs/dbraw/zinc/26/13/17/460261317.db2.gz CVOLJTXMFCNPSM-UHFFFAOYSA-N 1 2 330.435 3.357 10 30 EGEELO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)CC2 ZINC000599614024 460287971 /nfs/dbraw/zinc/28/79/71/460287971.db2.gz PPOFTZWAQJMXAQ-GUDVDZBRSA-N 1 2 348.450 3.052 10 30 EGEELO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000599677785 460307645 /nfs/dbraw/zinc/30/76/45/460307645.db2.gz LCXBAABCWKXXLB-UHFFFAOYSA-N 1 2 325.343 3.358 10 30 EGEELO N#CCc1cccc2c1CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000599677785 460307650 /nfs/dbraw/zinc/30/76/50/460307650.db2.gz LCXBAABCWKXXLB-UHFFFAOYSA-N 1 2 325.343 3.358 10 30 EGEELO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686167 460310016 /nfs/dbraw/zinc/31/00/16/460310016.db2.gz NMGRYNAIAURHTM-CQSZACIVSA-N 1 2 337.398 3.277 10 30 EGEELO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686167 460310021 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EGEELO C=CCC1(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CCCC1 ZINC000663959225 461888982 /nfs/dbraw/zinc/88/89/82/461888982.db2.gz JQKXVDHLGVMRDB-UHFFFAOYSA-N 1 2 330.354 3.134 10 30 EGEELO NC(=[NH+]OCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000029465370 526805189 /nfs/dbraw/zinc/80/51/89/526805189.db2.gz UIXXRIGZMIITFO-UHFFFAOYSA-N 1 2 328.759 3.227 10 30 EGEELO CCc1nnc([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)o1 ZINC000347952845 535855471 /nfs/dbraw/zinc/85/54/71/535855471.db2.gz BAZDDLNLBSHBHG-CYBMUJFWSA-N 1 2 326.400 3.108 10 30 EGEELO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CC2)nc1-c1cccnc1 ZINC000728561870 574759524 /nfs/dbraw/zinc/75/95/24/574759524.db2.gz BZXVMECFXONSCV-MRXNPFEDSA-N 1 2 341.484 3.494 10 30 EGEELO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CC2)nc1-c1cccnc1 ZINC000728561870 574759525 /nfs/dbraw/zinc/75/95/25/574759525.db2.gz BZXVMECFXONSCV-MRXNPFEDSA-N 1 2 341.484 3.494 10 30 EGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CN1C[C@@H](C(C)C)CC1=O ZINC000733295134 575325711 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C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000897262985 1310252165 /nfs/dbraw/zinc/25/21/65/1310252165.db2.gz DNROFXQSALXBOC-OALUTQOASA-N 1 2 340.373 3.121 10 30 EGEELO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000897262985 1310252173 /nfs/dbraw/zinc/25/21/73/1310252173.db2.gz DNROFXQSALXBOC-OALUTQOASA-N 1 2 340.373 3.121 10 30 EGEELO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000857878216 1328613168 /nfs/dbraw/zinc/61/31/68/1328613168.db2.gz UYSXZVXLZMSFLT-OAHLLOKOSA-N 1 2 336.439 3.449 10 30 EGEELO CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000857878216 1328613175 /nfs/dbraw/zinc/61/31/75/1328613175.db2.gz UYSXZVXLZMSFLT-OAHLLOKOSA-N 1 2 336.439 3.449 10 30 EGEELO N#Cc1cccc([C@H]2C[N@H+](CCSc3ccncc3)CCO2)c1 ZINC000930134392 1328794269 /nfs/dbraw/zinc/79/42/69/1328794269.db2.gz HSOQHCVGWHKTOH-GOSISDBHSA-N 1 2 325.437 3.119 10 30 EGEELO N#Cc1cccc([C@H]2C[N@@H+](CCSc3ccncc3)CCO2)c1 ZINC000930134392 1328794272 /nfs/dbraw/zinc/79/42/72/1328794272.db2.gz HSOQHCVGWHKTOH-GOSISDBHSA-N 1 2 325.437 3.119 10 30 EGEELO C#C[C@H]1CCCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000930227565 1328816273 /nfs/dbraw/zinc/81/62/73/1328816273.db2.gz INHNRMPBILYERI-APWZRJJASA-N 1 2 341.455 3.099 10 30 EGEELO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000852332277 1323179011 /nfs/dbraw/zinc/17/90/11/1323179011.db2.gz PYCOWNSHBBYIRI-PKOBYXMFSA-N 1 2 325.456 3.431 10 30 EGEELO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000852332277 1323179017 /nfs/dbraw/zinc/17/90/17/1323179017.db2.gz PYCOWNSHBBYIRI-PKOBYXMFSA-N 1 2 325.456 3.431 10 30 EGEELO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc(C#N)c1O ZINC000926917994 1327774948 /nfs/dbraw/zinc/77/49/48/1327774948.db2.gz XRIWFGKUBNRVLM-SUHUHFCYSA-N 1 2 328.334 3.414 10 30 EGEELO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)c(O)c2ccccc12 ZINC000862294315 1329474050 /nfs/dbraw/zinc/47/40/50/1329474050.db2.gz GZCATFVRZDVLLZ-INIZCTEOSA-N 1 2 328.799 3.235 10 30 EGEELO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)c(O)c2ccccc12 ZINC000862294315 1329474051 /nfs/dbraw/zinc/47/40/51/1329474051.db2.gz GZCATFVRZDVLLZ-INIZCTEOSA-N 1 2 328.799 3.235 10 30 EGEELO N#Cc1cc(C(F)(F)F)cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000865638035 1329723638 /nfs/dbraw/zinc/72/36/38/1329723638.db2.gz VIBGEMAMCXMTCC-GFCCVEGCSA-N 1 2 333.317 3.058 10 30 EGEELO COCCOc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866237227 1330082923 /nfs/dbraw/zinc/08/29/23/1330082923.db2.gz IERSWEFFJDLDOF-AWEZNQCLSA-N 1 2 326.396 3.140 10 30 EGEELO COc1cc(OC)c(C[NH2+][C@H](C)c2cccc(C#N)c2O)c(OC)c1 ZINC000866237196 1330083164 /nfs/dbraw/zinc/08/31/64/1330083164.db2.gz GFMMCAREXFVKBM-GFCCVEGCSA-N 1 2 342.395 3.140 10 30 EGEELO CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866268463 1330088361 /nfs/dbraw/zinc/08/83/61/1330088361.db2.gz WLKYNKKWITXYPN-IFXJQAMLSA-N 1 2 340.423 3.435 10 30 EGEELO C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1cccc(C#N)c1O ZINC000866296257 1330092348 /nfs/dbraw/zinc/09/23/48/1330092348.db2.gz QNHUNZTVYKHAFI-OAHLLOKOSA-N 1 2 349.434 3.237 10 30 EGEELO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc([S@](C)=O)cc1 ZINC000866309650 1330093996 /nfs/dbraw/zinc/09/39/96/1330093996.db2.gz IOHJJUPPXVILII-XCMOZONUSA-N 1 2 328.437 3.413 10 30 EGEELO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1cccc(C#N)c1O ZINC000866345622 1330099744 /nfs/dbraw/zinc/09/97/44/1330099744.db2.gz ABUVYTWLKGWJQD-JSGCOSHPSA-N 1 2 346.377 3.044 10 30 EGEELO CC[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)NC(=O)OC(C)(C)C ZINC000866363024 1330102336 /nfs/dbraw/zinc/10/23/36/1330102336.db2.gz FAVYUGCJJQIISO-TZMCWYRMSA-N 1 2 333.432 3.218 10 30 EGEELO C=CCC(CC=C)C(=O)NC[C@H]1CC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC001323243373 1387316078 /nfs/dbraw/zinc/31/60/78/1387316078.db2.gz RTJXIYNCKYDFAC-GOSISDBHSA-N 1 2 344.503 3.097 10 30 EGEELO C=CCC(CC=C)C(=O)NC[C@H]1CC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC001323243373 1387316080 /nfs/dbraw/zinc/31/60/80/1387316080.db2.gz RTJXIYNCKYDFAC-GOSISDBHSA-N 1 2 344.503 3.097 10 30 EGEELO C=C(C)C[C@@H]([NH2+][C@H](C)CCc1ccc(OC)c(O)c1)C(=O)OCC ZINC001183551453 1387318403 /nfs/dbraw/zinc/31/84/03/1387318403.db2.gz RGJXZAKGQUDVFH-GDBMZVCRSA-N 1 2 335.444 3.209 10 30 EGEELO N#Cc1cccc(Oc2ccnc(NCCNc3cccc[nH+]3)n2)c1 ZINC001184634085 1387501844 /nfs/dbraw/zinc/50/18/44/1387501844.db2.gz GEKRWHOAHRVWLG-UHFFFAOYSA-N 1 2 332.367 3.060 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)C1C[NH+](Cc2ccc(OC)c(C)c2)C1 ZINC001323977762 1387502693 /nfs/dbraw/zinc/50/26/93/1387502693.db2.gz CCGNMPLKCNIFMK-FQEVSTJZSA-N 1 2 330.472 3.249 10 30 EGEELO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])s1 ZINC001185007869 1387589082 /nfs/dbraw/zinc/58/90/82/1387589082.db2.gz REKZGJUQRWIRND-UHFFFAOYSA-N 1 2 343.343 3.465 10 30 EGEELO C=CCCC(=O)NC[C@]1(C)CCC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC001324922358 1387825775 /nfs/dbraw/zinc/82/57/75/1387825775.db2.gz QYUVNBYLHKKHBH-IBGZPJMESA-N 1 2 346.475 3.022 10 30 EGEELO C=CCCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC001324922358 1387825776 /nfs/dbraw/zinc/82/57/76/1387825776.db2.gz QYUVNBYLHKKHBH-IBGZPJMESA-N 1 2 346.475 3.022 10 30 EGEELO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC(F)F)C1 ZINC001325227574 1387918105 /nfs/dbraw/zinc/91/81/05/1387918105.db2.gz GTZHWSFSWKNFAP-LBPRGKRZSA-N 1 2 342.411 3.217 10 30 EGEELO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SC(F)F)C1 ZINC001325227574 1387918107 /nfs/dbraw/zinc/91/81/07/1387918107.db2.gz GTZHWSFSWKNFAP-LBPRGKRZSA-N 1 2 342.411 3.217 10 30 EGEELO N#Cc1ccnc(C[NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c1 ZINC001198174319 1368972504 /nfs/dbraw/zinc/97/25/04/1368972504.db2.gz PZJICZZWLJSGJQ-UHFFFAOYSA-N 1 2 335.333 3.075 10 30 EGEELO C=C[C@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC001123604425 1372522396 /nfs/dbraw/zinc/52/23/96/1372522396.db2.gz KGUSQMDQMPHVCX-FQEVSTJZSA-N 1 2 336.435 3.427 10 30 EGEELO CN(C)c1[nH+]cccc1C=CC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC001326691569 1388283212 /nfs/dbraw/zinc/28/32/12/1388283212.db2.gz YXISPNJIMSKSDD-FNORWQNLSA-N 1 2 337.301 3.163 10 30 EGEELO C=CC(C)(C)C(=O)NCC[N@@H+](C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC001266308998 1377267855 /nfs/dbraw/zinc/26/78/55/1377267855.db2.gz KGVOPAQKEFQGDV-CQSZACIVSA-N 1 2 342.443 3.058 10 30 EGEELO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC001266308998 1377267859 /nfs/dbraw/zinc/26/78/59/1377267859.db2.gz KGVOPAQKEFQGDV-CQSZACIVSA-N 1 2 342.443 3.058 10 30 EGEELO C=CC(C)(C)C(=O)NCC1([NH2+][C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC001269465399 1377555573 /nfs/dbraw/zinc/55/55/73/1377555573.db2.gz XQQDACBTUBCSCX-ZDUSSCGKSA-N 1 2 333.476 3.484 10 30 EGEELO C=CC(C)(C)CC(=O)NC[C@H]1C[N@H+](Cc2cccc(CC)c2)CCO1 ZINC001270651360 1377608877 /nfs/dbraw/zinc/60/88/77/1377608877.db2.gz XKMSTLUTRAGZJC-IBGZPJMESA-N 1 2 344.499 3.168 10 30 EGEELO C=CC(C)(C)CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(CC)c2)CCO1 ZINC001270651360 1377608880 /nfs/dbraw/zinc/60/88/80/1377608880.db2.gz XKMSTLUTRAGZJC-IBGZPJMESA-N 1 2 344.499 3.168 10 30 EGEELO CC1(C#N)CCN(C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC1 ZINC001137809028 1377619684 /nfs/dbraw/zinc/61/96/84/1377619684.db2.gz PODGZDPRPWKFPW-IYBDPMFKSA-N 1 2 326.444 3.205 10 30 EGEELO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)/C=C(/C)C1CC1 ZINC001280788121 1378376865 /nfs/dbraw/zinc/37/68/65/1378376865.db2.gz VDPNXLXKHLZOFT-BENRWUELSA-N 1 2 329.282 3.032 10 30 EGEELO C=C(Br)C[N@H+](C)CCCN(C)C(=O)/C=C(/C)C1CC1 ZINC001280788121 1378376870 /nfs/dbraw/zinc/37/68/70/1378376870.db2.gz VDPNXLXKHLZOFT-BENRWUELSA-N 1 2 329.282 3.032 10 30 EGEELO N#Cc1csc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)n1 ZINC001327529058 1388550472 /nfs/dbraw/zinc/55/04/72/1388550472.db2.gz CIIRMHDLDKDORB-KRWDZBQOSA-N 1 2 349.463 3.427 10 30 EGEELO C=CCCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1nnc(C(C)C)o1 ZINC001282662687 1378532126 /nfs/dbraw/zinc/53/21/26/1378532126.db2.gz SNLGDAYQDQKPQO-HNNXBMFYSA-N 1 2 334.464 3.020 10 30 EGEELO C=CCCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1nnc(C(C)C)o1 ZINC001282662687 1378532127 /nfs/dbraw/zinc/53/21/27/1378532127.db2.gz SNLGDAYQDQKPQO-HNNXBMFYSA-N 1 2 334.464 3.020 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)CC1(C)C ZINC001282824816 1378629977 /nfs/dbraw/zinc/62/99/77/1378629977.db2.gz VKRKDRJUXCRKBQ-QGZVFWFLSA-N 1 2 345.487 3.318 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)CC1(C)C ZINC001282824816 1378629979 /nfs/dbraw/zinc/62/99/79/1378629979.db2.gz VKRKDRJUXCRKBQ-QGZVFWFLSA-N 1 2 345.487 3.318 10 30 EGEELO C=CCC1(C(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)CCC1 ZINC001283663363 1379090892 /nfs/dbraw/zinc/09/08/92/1379090892.db2.gz MHGGOKALZKKDPQ-CABCVRRESA-N 1 2 348.491 3.437 10 30 EGEELO CC(C)N(CC[N@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@H]1CC12CC2 ZINC001284544758 1379952588 /nfs/dbraw/zinc/95/25/88/1379952588.db2.gz OUKWLAVWFLQHRP-GOSISDBHSA-N 1 2 343.446 3.166 10 30 EGEELO CC(C)N(CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@H]1CC12CC2 ZINC001284544758 1379952590 /nfs/dbraw/zinc/95/25/90/1379952590.db2.gz OUKWLAVWFLQHRP-GOSISDBHSA-N 1 2 343.446 3.166 10 30 EGEELO C=C(C)C(C)(C)C(=O)NCC1=CC[N@H+](Cc2nc(C)oc2C)CC1 ZINC001284945968 1380324657 /nfs/dbraw/zinc/32/46/57/1380324657.db2.gz AUKUVKWIVTXAPK-UHFFFAOYSA-N 1 2 331.460 3.142 10 30 EGEELO C=C(C)C(C)(C)C(=O)NCC1=CC[N@@H+](Cc2nc(C)oc2C)CC1 ZINC001284945968 1380324658 /nfs/dbraw/zinc/32/46/58/1380324658.db2.gz AUKUVKWIVTXAPK-UHFFFAOYSA-N 1 2 331.460 3.142 10 30 EGEELO C#Cc1ccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC001158767945 1381390000 /nfs/dbraw/zinc/39/00/00/1381390000.db2.gz ZXBPKFZUFFJIAA-UHFFFAOYSA-N 1 2 335.432 3.496 10 30 EGEELO COc1ccc(F)cc1C[NH+]1CCN(c2cc(F)ccc2C#N)CC1 ZINC001161998774 1382594003 /nfs/dbraw/zinc/59/40/03/1382594003.db2.gz RJHLAPDEOCLKJT-UHFFFAOYSA-N 1 2 343.377 3.167 10 30 EGEELO COc1cc(C[N@H+](C)Cc2cc(C#N)ccn2)c(SC)cc1OC ZINC001167461779 1383639844 /nfs/dbraw/zinc/63/98/44/1383639844.db2.gz RQCHRUZCVSVLNO-UHFFFAOYSA-N 1 2 343.452 3.324 10 30 EGEELO COc1cc(C[N@@H+](C)Cc2cc(C#N)ccn2)c(SC)cc1OC ZINC001167461779 1383639849 /nfs/dbraw/zinc/63/98/49/1383639849.db2.gz RQCHRUZCVSVLNO-UHFFFAOYSA-N 1 2 343.452 3.324 10 30 EGEELO C=CCn1cc(C[NH2+]Cc2cc3cc(Br)ccc3o2)nn1 ZINC001308442677 1384125956 /nfs/dbraw/zinc/12/59/56/1384125956.db2.gz OJYVXMXMVIMLKT-UHFFFAOYSA-N 1 2 347.216 3.263 10 30 EGEELO CCCCC1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#CCOC)CC1 ZINC001316607686 1384476523 /nfs/dbraw/zinc/47/65/23/1384476523.db2.gz UKCWPVIINRTHQY-MHJFOBGBSA-N 1 2 348.531 3.166 10 30 EGEELO CCCCC1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#CCOC)CC1 ZINC001316607686 1384476525 /nfs/dbraw/zinc/47/65/25/1384476525.db2.gz UKCWPVIINRTHQY-MHJFOBGBSA-N 1 2 348.531 3.166 10 30 EGEELO C=C[C@@H](C(=O)NCCC[N@@H+](C)Cc1cscn1)c1ccccc1 ZINC001316865809 1384651243 /nfs/dbraw/zinc/65/12/43/1384651243.db2.gz AIUYNDRTHLKCSG-QGZVFWFLSA-N 1 2 329.469 3.051 10 30 EGEELO C=C[C@@H](C(=O)NCCC[N@H+](C)Cc1cscn1)c1ccccc1 ZINC001316865809 1384651246 /nfs/dbraw/zinc/65/12/46/1384651246.db2.gz AIUYNDRTHLKCSG-QGZVFWFLSA-N 1 2 329.469 3.051 10 30 EGEELO C=C[C@](C)(CC)C(=O)N(C)C1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001316936381 1384707668 /nfs/dbraw/zinc/70/76/68/1384707668.db2.gz WFUGXUAUZIRYHV-DNVCBOLYSA-N 1 2 330.476 3.063 10 30 EGEELO C#CCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC001316941778 1384712629 /nfs/dbraw/zinc/71/26/29/1384712629.db2.gz TYWLAKPJHOZIKX-INIZCTEOSA-N 1 2 333.863 3.009 10 30 EGEELO C#CCCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC001316941778 1384712630 /nfs/dbraw/zinc/71/26/30/1384712630.db2.gz TYWLAKPJHOZIKX-INIZCTEOSA-N 1 2 333.863 3.009 10 30 EGEELO C=C(C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001317056953 1384831549 /nfs/dbraw/zinc/83/15/49/1384831549.db2.gz GTOLHASZYXMGNV-GJZGRUSLSA-N 1 2 334.464 3.020 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C)s1 ZINC001317096999 1384858736 /nfs/dbraw/zinc/85/87/36/1384858736.db2.gz GMEJCXZSAQCHJY-MUSFGAPCSA-N 1 2 348.516 3.060 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C)s1 ZINC001317096999 1384858742 /nfs/dbraw/zinc/85/87/42/1384858742.db2.gz GMEJCXZSAQCHJY-MUSFGAPCSA-N 1 2 348.516 3.060 10 30 EGEELO CCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001317167270 1384931945 /nfs/dbraw/zinc/93/19/45/1384931945.db2.gz QQXLKFSQVRMETR-GOSISDBHSA-N 1 2 331.435 3.358 10 30 EGEELO CCCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001317167270 1384931952 /nfs/dbraw/zinc/93/19/52/1384931952.db2.gz QQXLKFSQVRMETR-GOSISDBHSA-N 1 2 331.435 3.358 10 30 EGEELO C#CCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1F ZINC001317171770 1384939265 /nfs/dbraw/zinc/93/92/65/1384939265.db2.gz WOHXCSFACSCIRC-KRWDZBQOSA-N 1 2 334.410 3.239 10 30 EGEELO C#CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1F ZINC001317171770 1384939267 /nfs/dbraw/zinc/93/92/67/1384939267.db2.gz WOHXCSFACSCIRC-KRWDZBQOSA-N 1 2 334.410 3.239 10 30 EGEELO C=C1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001317266921 1385036588 /nfs/dbraw/zinc/03/65/88/1385036588.db2.gz TVTFRKVXRDNZQU-KBPBESRZSA-N 1 2 334.464 3.095 10 30 EGEELO CC#CCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ncoc1C(C)C ZINC001317504812 1385210449 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EGEELO C=CCC(C)(C)C(=O)NCC[N@@H+](Cc1nc(C)c(C)s1)C1CC1 ZINC001317558213 1385331700 /nfs/dbraw/zinc/33/17/00/1385331700.db2.gz IBZGYZGNHGAVNN-UHFFFAOYSA-N 1 2 335.517 3.443 10 30 EGEELO C=CCC(C)(C)C(=O)NCC[N@H+](Cc1nc(C)c(C)s1)C1CC1 ZINC001317558213 1385331702 /nfs/dbraw/zinc/33/17/02/1385331702.db2.gz IBZGYZGNHGAVNN-UHFFFAOYSA-N 1 2 335.517 3.443 10 30 EGEELO C=CCCO[C@@H](C)C(=O)NC1C[NH+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001318006758 1385607222 /nfs/dbraw/zinc/60/72/22/1385607222.db2.gz FRPOLNZKLXATPV-INIZCTEOSA-N 1 2 344.499 3.266 10 30 EGEELO C=CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/Cl)c1ccccc1 ZINC001318228773 1385633806 /nfs/dbraw/zinc/63/38/06/1385633806.db2.gz QZEKHBLZWZBIKR-RRLWNKKMSA-N 1 2 330.859 3.384 10 30 EGEELO C=CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/Cl)c1ccccc1 ZINC001318228773 1385633811 /nfs/dbraw/zinc/63/38/11/1385633811.db2.gz QZEKHBLZWZBIKR-RRLWNKKMSA-N 1 2 330.859 3.384 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001318333766 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C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)s1 ZINC001480313324 1392675055 /nfs/dbraw/zinc/67/50/55/1392675055.db2.gz SSLCHIAIHCIVLG-VXGBXAGGSA-N 1 2 325.865 3.032 10 30 EGEELO C=CC(C)(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC001480467473 1392761744 /nfs/dbraw/zinc/76/17/44/1392761744.db2.gz GLCHEYVTWUZWLN-STQMWFEESA-N 1 2 336.480 3.125 10 30 EGEELO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCC[N@@H+]1CC=C(Cl)Cl ZINC001481050258 1393106390 /nfs/dbraw/zinc/10/63/90/1393106390.db2.gz NDRUBJNOAAOLLO-CJNGLKHVSA-N 1 2 349.302 3.115 10 30 EGEELO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCC[N@H+]1CC=C(Cl)Cl ZINC001481050258 1393106391 /nfs/dbraw/zinc/10/63/91/1393106391.db2.gz NDRUBJNOAAOLLO-CJNGLKHVSA-N 1 2 349.302 3.115 10 30 EGEELO CC#CCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC001481052045 1393106774 /nfs/dbraw/zinc/10/67/74/1393106774.db2.gz JRVQYOPCFUMGFE-KRWDZBQOSA-N 1 2 345.512 3.295 10 30 EGEELO CC#CCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(C2CC2)n1 ZINC001481052045 1393106775 /nfs/dbraw/zinc/10/67/75/1393106775.db2.gz JRVQYOPCFUMGFE-KRWDZBQOSA-N 1 2 345.512 3.295 10 30 EGEELO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC001481051555 1393106817 /nfs/dbraw/zinc/10/68/17/1393106817.db2.gz DJTZBMYYNBAJNZ-HOCLYGCPSA-N 1 2 331.460 3.235 10 30 EGEELO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC001481051555 1393106818 /nfs/dbraw/zinc/10/68/18/1393106818.db2.gz DJTZBMYYNBAJNZ-HOCLYGCPSA-N 1 2 331.460 3.235 10 30 EGEELO CC[C@@H](C)[C@H](C)C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001481192145 1393146874 /nfs/dbraw/zinc/14/68/74/1393146874.db2.gz PGRCDBTZPMVRAR-CABCVRRESA-N 1 2 345.462 3.460 10 30 EGEELO CC[C@@H](C)[C@H](C)C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001481192145 1393146875 /nfs/dbraw/zinc/14/68/75/1393146875.db2.gz PGRCDBTZPMVRAR-CABCVRRESA-N 1 2 345.462 3.460 10 30 EGEELO C#CCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001490432655 1394229125 /nfs/dbraw/zinc/22/91/25/1394229125.db2.gz RQQUMETVLRVMJU-MRXNPFEDSA-N 1 2 334.410 3.239 10 30 EGEELO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001490432655 1394229132 /nfs/dbraw/zinc/22/91/32/1394229132.db2.gz RQQUMETVLRVMJU-MRXNPFEDSA-N 1 2 334.410 3.239 10 30 EGEELO C=C(C)CCC(=O)N(CCC)[C@@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001481401927 1394251098 /nfs/dbraw/zinc/25/10/98/1394251098.db2.gz VCMXRLLHHXHBTM-GOSISDBHSA-N 1 2 332.492 3.072 10 30 EGEELO C=C(C)CCC(=O)N(CCC)[C@@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001481401927 1394251103 /nfs/dbraw/zinc/25/11/03/1394251103.db2.gz VCMXRLLHHXHBTM-GOSISDBHSA-N 1 2 332.492 3.072 10 30 EGEELO C=C(C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)[C@H](C)c2csnn2)C1 ZINC001490759697 1394322701 /nfs/dbraw/zinc/32/27/01/1394322701.db2.gz VOIPILZWCFTESC-CABCVRRESA-N 1 2 336.505 3.126 10 30 EGEELO C=C(C)CCC(=O)N1CCC[C@@H](C[N@H+](C)[C@H](C)c2csnn2)C1 ZINC001490759697 1394322703 /nfs/dbraw/zinc/32/27/03/1394322703.db2.gz VOIPILZWCFTESC-CABCVRRESA-N 1 2 336.505 3.126 10 30 EGEELO C=CCCCCC[NH+]1CC(NC(=O)c2ccc(-c3cc[nH]n3)s2)C1 ZINC001481565285 1394408327 /nfs/dbraw/zinc/40/83/27/1394408327.db2.gz FTHHVEAXCUOMDF-UHFFFAOYSA-N 1 2 344.484 3.299 10 30 EGEELO C=CCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001481760410 1394502471 /nfs/dbraw/zinc/50/24/71/1394502471.db2.gz DWEXBLDOHJPONF-SFHVURJKSA-N 1 2 329.419 3.086 10 30 EGEELO C=CCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001481760410 1394502475 /nfs/dbraw/zinc/50/24/75/1394502475.db2.gz DWEXBLDOHJPONF-SFHVURJKSA-N 1 2 329.419 3.086 10 30 EGEELO C=CCCC(=O)NCc1ccc(C[NH2+]Cc2nc(C)c(C)o2)cc1 ZINC001482031082 1394690300 /nfs/dbraw/zinc/69/03/00/1394690300.db2.gz ZFHZFAUJPDVDRN-UHFFFAOYSA-N 1 2 327.428 3.164 10 30 EGEELO C=CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC001484033935 1395200357 /nfs/dbraw/zinc/20/03/57/1395200357.db2.gz FMHGEQUVUACPTC-SFHVURJKSA-N 1 2 345.468 3.450 10 30 EGEELO C=CCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC001484033935 1395200361 /nfs/dbraw/zinc/20/03/61/1395200361.db2.gz FMHGEQUVUACPTC-SFHVURJKSA-N 1 2 345.468 3.450 10 30 EGEELO CC#CCCCC(=O)NC[C@]1(C)CCC[N@H+](Cc2cscn2)C1 ZINC001484166259 1395303313 /nfs/dbraw/zinc/30/33/13/1395303313.db2.gz HIMXRFZTPYBSOJ-SFHVURJKSA-N 1 2 333.501 3.055 10 30 EGEELO CC#CCCCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2cscn2)C1 ZINC001484166259 1395303319 /nfs/dbraw/zinc/30/33/19/1395303319.db2.gz HIMXRFZTPYBSOJ-SFHVURJKSA-N 1 2 333.501 3.055 10 30 EGEELO C=CC[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc2nc[nH]c21 ZINC001484557489 1395438147 /nfs/dbraw/zinc/43/81/47/1395438147.db2.gz MPBHGZAFTLNMPG-UHFFFAOYSA-N 1 2 334.423 3.111 10 30 EGEELO C=CC[N@H+](C)Cc1ccccc1CNC(=O)c1cccc2nc[nH]c21 ZINC001484557489 1395438148 /nfs/dbraw/zinc/43/81/48/1395438148.db2.gz MPBHGZAFTLNMPG-UHFFFAOYSA-N 1 2 334.423 3.111 10 30 EGEELO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)on2)[C@H](C)C1 ZINC001484970539 1395606225 /nfs/dbraw/zinc/60/62/25/1395606225.db2.gz BORUDFVLHXYUEI-HZPDHXFCSA-N 1 2 345.487 3.101 10 30 EGEELO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)on2)[C@H](C)C1 ZINC001484970539 1395606241 /nfs/dbraw/zinc/60/62/41/1395606241.db2.gz BORUDFVLHXYUEI-HZPDHXFCSA-N 1 2 345.487 3.101 10 30 EGEELO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1conc1C1CCCC1 ZINC001485316001 1395790215 /nfs/dbraw/zinc/79/02/15/1395790215.db2.gz QCJAJIZKCLCPTG-GFCCVEGCSA-N 1 2 325.840 3.135 10 30 EGEELO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1conc1C1CCCC1 ZINC001485316001 1395790229 /nfs/dbraw/zinc/79/02/29/1395790229.db2.gz QCJAJIZKCLCPTG-GFCCVEGCSA-N 1 2 325.840 3.135 10 30 EGEELO C[C@H](CNC(=O)CCC1(C)CC1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001485367726 1395845075 /nfs/dbraw/zinc/84/50/75/1395845075.db2.gz FVRHSCAIPWRWTR-CQSZACIVSA-N 1 2 331.435 3.214 10 30 EGEELO C[C@H](CNC(=O)CCC1(C)CC1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001485367726 1395845083 /nfs/dbraw/zinc/84/50/83/1395845083.db2.gz FVRHSCAIPWRWTR-CQSZACIVSA-N 1 2 331.435 3.214 10 30 EGEELO CC[C@@H]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001698995031 1406791588 /nfs/dbraw/zinc/79/15/88/1406791588.db2.gz YOFUCSMPCXVFRJ-VQIMIIECSA-N 1 2 327.472 3.275 10 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ZINC001485572070 1396038492 /nfs/dbraw/zinc/03/84/92/1396038492.db2.gz FZRBUTLABGJIMT-HOTGVXAUSA-N 1 2 342.911 3.161 10 30 EGEELO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H](OCC)C2CCCC2)C(C)(C)C1 ZINC001485572070 1396038499 /nfs/dbraw/zinc/03/84/99/1396038499.db2.gz FZRBUTLABGJIMT-HOTGVXAUSA-N 1 2 342.911 3.161 10 30 EGEELO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001485575446 1396045519 /nfs/dbraw/zinc/04/55/19/1396045519.db2.gz MPCUHANFFJJDHH-VQIMIIECSA-N 1 2 333.476 3.220 10 30 EGEELO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)CC1(C)C ZINC001485575446 1396045526 /nfs/dbraw/zinc/04/55/26/1396045526.db2.gz MPCUHANFFJJDHH-VQIMIIECSA-N 1 2 333.476 3.220 10 30 EGEELO CCC(C)(C)CC(=O)NCc1ccc2c(c1)C[N@@H+](CC#CCOC)C2 ZINC001502650540 1396213515 /nfs/dbraw/zinc/21/35/15/1396213515.db2.gz DOYFMOVJBQWDFB-UHFFFAOYSA-N 1 2 342.483 3.095 10 30 EGEELO CCC(C)(C)CC(=O)NCc1ccc2c(c1)C[N@H+](CC#CCOC)C2 ZINC001502650540 1396213516 /nfs/dbraw/zinc/21/35/16/1396213516.db2.gz DOYFMOVJBQWDFB-UHFFFAOYSA-N 1 2 342.483 3.095 10 30 EGEELO C=C[C@](C)(CCOC)C(=O)NC1C[NH+]([C@H](CC)c2ccc(F)cc2)C1 ZINC001494426495 1396445970 /nfs/dbraw/zinc/44/59/70/1396445970.db2.gz NREJOODHYRDGNP-UYAOXDASSA-N 1 2 348.462 3.306 10 30 EGEELO C=CCC1(C(=O)NC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)CCCCC1 ZINC001494501876 1396455531 /nfs/dbraw/zinc/45/55/31/1396455531.db2.gz KCIWEIUZCOZMOY-QGZVFWFLSA-N 1 2 334.504 3.129 10 30 EGEELO C=C[C@@H](C(=O)NC/C=C\C[NH2+]Cc1nc(C)c(C)o1)c1ccccc1 ZINC001497758532 1396829267 /nfs/dbraw/zinc/82/92/67/1396829267.db2.gz VUHMETIAMHTBLV-CNZFZVQHSA-N 1 2 339.439 3.023 10 30 EGEELO C=C(C)CCC(=O)N1CCCCC[C@H]([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001689262494 1396995650 /nfs/dbraw/zinc/99/56/50/1396995650.db2.gz RTGMFZAFDOAXJF-ZBFHGGJFSA-N 1 2 334.464 3.156 10 30 EGEELO C#CCCCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC(F)(F)C(F)F ZINC001689898312 1404193175 /nfs/dbraw/zinc/19/31/75/1404193175.db2.gz AIMWNEWVZUJHMQ-STQMWFEESA-N 1 2 336.373 3.050 10 30 EGEELO C=C[C@@H](CC)CC(=O)N(C)C1CC[NH+](CC(=C)Br)CC1 ZINC001690025887 1404264205 /nfs/dbraw/zinc/26/42/05/1404264205.db2.gz IEWYEZQMCGRZSA-AWEZNQCLSA-N 1 2 343.309 3.420 10 30 EGEELO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001690037736 1404274186 /nfs/dbraw/zinc/27/41/86/1404274186.db2.gz MUEGEFLYMAOGDA-CJNGLKHVSA-N 1 2 332.394 3.020 10 30 EGEELO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001690037736 1404274191 /nfs/dbraw/zinc/27/41/91/1404274191.db2.gz MUEGEFLYMAOGDA-CJNGLKHVSA-N 1 2 332.394 3.020 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC001690387424 1404521977 /nfs/dbraw/zinc/52/19/77/1404521977.db2.gz PAGNGPRRXPQAMQ-CABCVRRESA-N 1 2 348.491 3.294 10 30 EGEELO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC001690387424 1404521980 /nfs/dbraw/zinc/52/19/80/1404521980.db2.gz PAGNGPRRXPQAMQ-CABCVRRESA-N 1 2 348.491 3.294 10 30 EGEELO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](OCC)C(=C)C ZINC001690448827 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CCCCC(=O)N[C@H](C)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC001734110015 1437895804 /nfs/dbraw/zinc/89/58/04/1437895804.db2.gz WPFRACJYERWVEP-OAHLLOKOSA-N 1 2 332.875 3.318 10 30 EGEELO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001734151220 1437918969 /nfs/dbraw/zinc/91/89/69/1437918969.db2.gz YXZKEQMOAOJTII-GOSISDBHSA-N 1 2 343.446 3.380 10 30 EGEELO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC1(C)C ZINC001734151220 1437918970 /nfs/dbraw/zinc/91/89/70/1437918970.db2.gz YXZKEQMOAOJTII-GOSISDBHSA-N 1 2 343.446 3.380 10 30 EGEELO C#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)[C@H]1C ZINC001734457130 1438114702 /nfs/dbraw/zinc/11/47/02/1438114702.db2.gz YVUYVBZDIVHAAX-KSSFIOAISA-N 1 2 334.410 3.237 10 30 EGEELO C#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)[C@H]1C ZINC001734457130 1438114705 /nfs/dbraw/zinc/11/47/05/1438114705.db2.gz YVUYVBZDIVHAAX-KSSFIOAISA-N 1 2 334.410 3.237 10 30 EGEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1ccn(C)c1CC)C(C)C ZINC001734550726 1438148377 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Cn1c2ccc(NC(=O)c3ccnc(C#N)c3)cc2[nH+]c1C(C)(C)C ZINC000193702909 240271488 /nfs/dbraw/zinc/27/14/88/240271488.db2.gz UIPJRSOQTRZIAU-UHFFFAOYSA-N 1 2 333.395 3.390 10 30 EGEELO CC(C)c1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000264120286 246082105 /nfs/dbraw/zinc/08/21/05/246082105.db2.gz MHHPXCZSVNPJPN-UHFFFAOYSA-N 1 2 326.400 3.108 10 30 EGEELO Cc1ncc(CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000118398014 221146624 /nfs/dbraw/zinc/14/66/24/221146624.db2.gz MGIKGWYTMXFHNW-AWEZNQCLSA-N 1 2 326.469 3.202 10 30 EGEELO Cc1ncc(C[NH+]2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000118398014 221146626 /nfs/dbraw/zinc/14/66/26/221146626.db2.gz MGIKGWYTMXFHNW-AWEZNQCLSA-N 1 2 326.469 3.202 10 30 EGEELO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(C#N)o1 ZINC000343723902 164020363 /nfs/dbraw/zinc/02/03/63/164020363.db2.gz BPYFKUZNAKWBRC-CQSZACIVSA-N 1 2 334.379 3.114 10 30 EGEELO COCCn1cc2c(n1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000355040138 166090464 /nfs/dbraw/zinc/09/04/64/166090464.db2.gz UOVOXNNGGJMVMM-SCLBCKFNSA-N 1 2 342.418 3.268 10 30 EGEELO Cc1cc(NC(=O)c2cc(C#N)cn2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000355568757 166246106 /nfs/dbraw/zinc/24/61/06/166246106.db2.gz GGMHYKOXUYGZBP-AWEZNQCLSA-N 1 2 337.427 3.231 10 30 EGEELO Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367129683 168182059 /nfs/dbraw/zinc/18/20/59/168182059.db2.gz WBNVJOGDGIKPMV-PMACEKPBSA-N 1 2 340.398 3.113 10 30 EGEELO Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367129683 168182061 /nfs/dbraw/zinc/18/20/61/168182061.db2.gz WBNVJOGDGIKPMV-PMACEKPBSA-N 1 2 340.398 3.113 10 30 EGEELO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C12CCC2 ZINC000459362441 267149094 /nfs/dbraw/zinc/14/90/94/267149094.db2.gz JPRDYFNNQQONEW-IAGOWNOFSA-N 1 2 329.400 3.246 10 30 EGEELO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C12CCC2 ZINC000459362441 267149096 /nfs/dbraw/zinc/14/90/96/267149096.db2.gz JPRDYFNNQQONEW-IAGOWNOFSA-N 1 2 329.400 3.246 10 30 EGEELO Cc1ccc(C)c(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000429292973 268032872 /nfs/dbraw/zinc/03/28/72/268032872.db2.gz MHAIWEYUSVVYMN-UHFFFAOYSA-N 1 2 342.464 3.081 10 30 EGEELO Cc1ccc(C)c(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000429292973 268032873 /nfs/dbraw/zinc/03/28/73/268032873.db2.gz MHAIWEYUSVVYMN-UHFFFAOYSA-N 1 2 342.464 3.081 10 30 EGEELO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000301783972 268051200 /nfs/dbraw/zinc/05/12/00/268051200.db2.gz UUDHPBYCCVVHAG-GFCCVEGCSA-N 1 2 333.317 3.058 10 30 EGEELO N#Cc1c(F)cccc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000520600359 268162032 /nfs/dbraw/zinc/16/20/32/268162032.db2.gz RCZXGAYLLVNUGD-HDJSIYSDSA-N 1 2 338.386 3.245 10 30 EGEELO N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000450534542 268192511 /nfs/dbraw/zinc/19/25/11/268192511.db2.gz GANXSQYVHXELPF-HDJSIYSDSA-N 1 2 338.371 3.092 10 30 EGEELO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC4(CCC4)[C@@H]3c3ccco3)C2=O)cc1 ZINC000451853986 268236207 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C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1C ZINC000173314027 455264007 /nfs/dbraw/zinc/26/40/07/455264007.db2.gz UWSHIFDSAJXLGI-GOSISDBHSA-N 1 2 326.444 3.044 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1C ZINC000173314027 455264011 /nfs/dbraw/zinc/26/40/11/455264011.db2.gz UWSHIFDSAJXLGI-GOSISDBHSA-N 1 2 326.444 3.044 10 30 EGEELO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc(F)c1 ZINC000006785646 452988747 /nfs/dbraw/zinc/98/87/47/452988747.db2.gz OEWDOTHJMASTHH-UHFFFAOYSA-N 1 2 343.427 3.318 10 30 EGEELO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc(F)c1 ZINC000006785646 452988756 /nfs/dbraw/zinc/98/87/56/452988756.db2.gz OEWDOTHJMASTHH-UHFFFAOYSA-N 1 2 343.427 3.318 10 30 EGEELO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1OC ZINC000623563181 460615116 /nfs/dbraw/zinc/61/51/16/460615116.db2.gz QKMUYNNCWKUASL-SMDDNHRTSA-N 1 2 348.834 3.301 10 30 EGEELO Cn1cc[nH+]c1C[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000081318594 453859858 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C=CC1CC[NH+](Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000090548722 454318444 /nfs/dbraw/zinc/31/84/44/454318444.db2.gz XHNQSLXMLXBTDR-UHFFFAOYSA-N 1 2 346.452 3.143 10 30 EGEELO C=CC[N@H+](CC(=O)Nc1cccc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297691 454402947 /nfs/dbraw/zinc/40/29/47/454402947.db2.gz HNIGJOPLPXPNOA-UHFFFAOYSA-N 1 2 343.358 3.361 10 30 EGEELO C=CC[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297691 454402953 /nfs/dbraw/zinc/40/29/53/454402953.db2.gz HNIGJOPLPXPNOA-UHFFFAOYSA-N 1 2 343.358 3.361 10 30 EGEELO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000102928980 454527549 /nfs/dbraw/zinc/52/75/49/454527549.db2.gz XDGNUIVTIUHOKT-QGZVFWFLSA-N 1 2 349.390 3.063 10 30 EGEELO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000102928980 454527556 /nfs/dbraw/zinc/52/75/56/454527556.db2.gz XDGNUIVTIUHOKT-QGZVFWFLSA-N 1 2 349.390 3.063 10 30 EGEELO N#Cc1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1Cl ZINC000122697727 454559891 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N#Cc1ccccc1N1CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC000361301886 457685178 /nfs/dbraw/zinc/68/51/78/457685178.db2.gz YTCRBBQCBMSITQ-UHFFFAOYSA-N 1 2 346.356 3.294 10 30 EGEELO N#Cc1ccc(C(F)(F)F)nc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000364885816 457712598 /nfs/dbraw/zinc/71/25/98/457712598.db2.gz MKDQHASHBBHQOC-UHFFFAOYSA-N 1 2 347.344 3.448 10 30 EGEELO Cc1cc(C#N)ccc1C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374880294 457726891 /nfs/dbraw/zinc/72/68/91/457726891.db2.gz SFFYCXGPOUKWQI-SFHVURJKSA-N 1 2 339.826 3.307 10 30 EGEELO C[C@H](C#N)N(C)C(=O)[C@@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000410884494 457766416 /nfs/dbraw/zinc/76/64/16/457766416.db2.gz RMONRJAXLPQIOB-MLGOLLRUSA-N 1 2 337.826 3.377 10 30 EGEELO CCOC(=O)c1sc([C@@H](C)[NH2+]CC#Cc2ccccc2)nc1C ZINC000361756330 457837763 /nfs/dbraw/zinc/83/77/63/457837763.db2.gz UGEBUHMCKLRYAB-CQSZACIVSA-N 1 2 328.437 3.331 10 30 EGEELO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1nnc2n1CCCCC2 ZINC000358558513 458076515 /nfs/dbraw/zinc/07/65/15/458076515.db2.gz COZIVNIDNUPVFT-CHWSQXEVSA-N 1 2 327.407 3.427 10 30 EGEELO CN(CCC#N)c1ccc(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000372920964 458349124 /nfs/dbraw/zinc/34/91/24/458349124.db2.gz IMBWBEYUMYQOEM-IBGZPJMESA-N 1 2 346.438 3.034 10 30 EGEELO C=CCCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000447952898 458369969 /nfs/dbraw/zinc/36/99/69/458369969.db2.gz GZOJVBRKBXJAEE-CQSZACIVSA-N 1 2 337.414 3.195 10 30 EGEELO C=CCCCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000447952898 458369975 /nfs/dbraw/zinc/36/99/75/458369975.db2.gz GZOJVBRKBXJAEE-CQSZACIVSA-N 1 2 337.414 3.195 10 30 EGEELO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459457415 458377717 /nfs/dbraw/zinc/37/77/17/458377717.db2.gz CIVGVCMBFWFGPI-OAHLLOKOSA-N 1 2 339.395 3.240 10 30 EGEELO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459457415 458377719 /nfs/dbraw/zinc/37/77/19/458377719.db2.gz CIVGVCMBFWFGPI-OAHLLOKOSA-N 1 2 339.395 3.240 10 30 EGEELO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nc1 ZINC000377124255 458468697 /nfs/dbraw/zinc/46/86/97/458468697.db2.gz DMACDQJFQWARAS-RBUKOAKNSA-N 1 2 335.407 3.140 10 30 EGEELO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nc1 ZINC000377124255 458468700 /nfs/dbraw/zinc/46/87/00/458468700.db2.gz DMACDQJFQWARAS-RBUKOAKNSA-N 1 2 335.407 3.140 10 30 EGEELO C=CCNC(=O)C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000377525664 458503705 /nfs/dbraw/zinc/50/37/05/458503705.db2.gz PXROVMSTGVONOW-UHFFFAOYSA-N 1 2 347.871 3.124 10 30 EGEELO C=CCNC(=O)C[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000377525664 458503709 /nfs/dbraw/zinc/50/37/09/458503709.db2.gz PXROVMSTGVONOW-UHFFFAOYSA-N 1 2 347.871 3.124 10 30 EGEELO N#CCCC[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000430933724 458507485 /nfs/dbraw/zinc/50/74/85/458507485.db2.gz JIXANFLMZYYFJZ-QGZVFWFLSA-N 1 2 325.416 3.008 10 30 EGEELO C[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(C#N)c(F)c1 ZINC000453313325 458524936 /nfs/dbraw/zinc/52/49/36/458524936.db2.gz WKSSKKBMYZZVNI-VIFPVBQESA-N 1 2 337.196 3.044 10 30 EGEELO C=CC(C)(C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000455360084 458594599 /nfs/dbraw/zinc/59/45/99/458594599.db2.gz BLAMVVISIUZABV-MRXNPFEDSA-N 1 2 342.443 3.030 10 30 EGEELO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C#N)o2)C[C@H](C)O1 ZINC000431840838 458632237 /nfs/dbraw/zinc/63/22/37/458632237.db2.gz PAAGVESOKBATNR-KBPBESRZSA-N 1 2 339.395 3.013 10 30 EGEELO C=CCC(C)(C)CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000432075480 458672579 /nfs/dbraw/zinc/67/25/79/458672579.db2.gz KDXWZHOVVDAYRV-UHFFFAOYSA-N 1 2 326.444 3.333 10 30 EGEELO C=CCOc1ccccc1CNc1[nH+]c2ccccc2n1CCOC ZINC000464356727 458748287 /nfs/dbraw/zinc/74/82/87/458748287.db2.gz QFZUFMGVQBJPMW-UHFFFAOYSA-N 1 2 337.423 3.282 10 30 EGEELO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cscn1 ZINC000594712922 459137224 /nfs/dbraw/zinc/13/72/24/459137224.db2.gz RXKAFGUHZWAMCG-ZJUUUORDSA-N 1 2 334.832 3.346 10 30 EGEELO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000594712906 459137611 /nfs/dbraw/zinc/13/76/11/459137611.db2.gz RXKAFGUHZWAMCG-NXEZZACHSA-N 1 2 334.832 3.346 10 30 EGEELO CCN(C(C)=O)c1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cs1 ZINC000594970033 459199824 /nfs/dbraw/zinc/19/98/24/459199824.db2.gz RYVTZRCGNMVOEK-UHFFFAOYSA-N 1 2 342.468 3.412 10 30 EGEELO N#C[C@H](N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000595454334 459308538 /nfs/dbraw/zinc/30/85/38/459308538.db2.gz HWGPTSAPPJODCP-FGTMMUONSA-N 1 2 333.863 3.138 10 30 EGEELO CC1(C#N)CC[NH+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)CC1 ZINC000540930105 459406146 /nfs/dbraw/zinc/40/61/46/459406146.db2.gz AKZNTPNAOMJFRK-SFHVURJKSA-N 1 2 347.418 3.097 10 30 EGEELO C[N@H+](Cc1ccnc(C#N)c1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595750997 459425286 /nfs/dbraw/zinc/42/52/86/459425286.db2.gz URVGMVLQMGZGQO-HNNXBMFYSA-N 1 2 336.222 3.425 10 30 EGEELO C[N@@H+](Cc1ccnc(C#N)c1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595750997 459425287 /nfs/dbraw/zinc/42/52/87/459425287.db2.gz URVGMVLQMGZGQO-HNNXBMFYSA-N 1 2 336.222 3.425 10 30 EGEELO C=CCc1cc(C[NH+]2CC(OC)(c3ccccc3)C2)cc(OC)c1O ZINC000485294641 459448139 /nfs/dbraw/zinc/44/81/39/459448139.db2.gz WUOONNVCPYDXSA-UHFFFAOYSA-N 1 2 339.435 3.487 10 30 EGEELO COc1ccc2ncc(C#N)c(N3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000591907519 459480299 /nfs/dbraw/zinc/48/02/99/459480299.db2.gz FANTYHSNXRFRBN-HNNXBMFYSA-N 1 2 333.395 3.153 10 30 EGEELO N#Cc1cnccc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000592099197 459524970 /nfs/dbraw/zinc/52/49/70/459524970.db2.gz RWNQYPZCSAHATM-UHFFFAOYSA-N 1 2 335.333 3.006 10 30 EGEELO Cc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1 ZINC000592997335 459733858 /nfs/dbraw/zinc/73/38/58/459733858.db2.gz YAZSNDDLSLQQAA-UHFFFAOYSA-N 1 2 336.395 3.097 10 30 EGEELO C[C@@]1(c2cccc(F)c2)CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000593046059 459752691 /nfs/dbraw/zinc/75/26/91/459752691.db2.gz MACDIGXRUYRHHR-GOSISDBHSA-N 1 2 343.427 3.361 10 30 EGEELO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000593046059 459752694 /nfs/dbraw/zinc/75/26/94/459752694.db2.gz MACDIGXRUYRHHR-GOSISDBHSA-N 1 2 343.427 3.361 10 30 EGEELO COCc1cc[nH+]c(NCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000593223393 459812230 /nfs/dbraw/zinc/81/22/30/459812230.db2.gz RHBPRSIUJOXOPU-UHFFFAOYSA-N 1 2 348.410 3.012 10 30 EGEELO C=CC[N@@H+](Cc1cc(C(=O)OCC)no1)Cc1ccc(OC)cc1 ZINC000602447934 459942626 /nfs/dbraw/zinc/94/26/26/459942626.db2.gz HKMKYTKPHRMJJU-UHFFFAOYSA-N 1 2 330.384 3.048 10 30 EGEELO C=CC[N@H+](Cc1cc(C(=O)OCC)no1)Cc1ccc(OC)cc1 ZINC000602447934 459942634 /nfs/dbraw/zinc/94/26/34/459942634.db2.gz HKMKYTKPHRMJJU-UHFFFAOYSA-N 1 2 330.384 3.048 10 30 EGEELO CC(C)(C#N)c1ccc(CNc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000593945697 460022200 /nfs/dbraw/zinc/02/22/00/460022200.db2.gz OOKPOGZXTSNUGX-UHFFFAOYSA-N 1 2 336.439 3.331 10 30 EGEELO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1C#N ZINC000599329357 460230401 /nfs/dbraw/zinc/23/04/01/460230401.db2.gz HEBSMAXOAFKZMJ-OAQYLSRUSA-N 1 2 330.435 3.249 10 30 EGEELO 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C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653909830 461931705 /nfs/dbraw/zinc/93/17/05/461931705.db2.gz PIMQGJHFARNIGF-AEFFLSMTSA-N 1 2 341.455 3.361 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639780403 462104986 /nfs/dbraw/zinc/10/49/86/462104986.db2.gz FOVWDQHYYJMDCL-MRXNPFEDSA-N 1 2 342.468 3.463 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639780403 462104992 /nfs/dbraw/zinc/10/49/92/462104992.db2.gz FOVWDQHYYJMDCL-MRXNPFEDSA-N 1 2 342.468 3.463 10 30 EGEELO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccns1 ZINC000639789285 462110772 /nfs/dbraw/zinc/11/07/72/462110772.db2.gz MAUDFWJZTPFGGG-CYBMUJFWSA-N 1 2 335.498 3.240 10 30 EGEELO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccns1 ZINC000639789285 462110776 /nfs/dbraw/zinc/11/07/76/462110776.db2.gz MAUDFWJZTPFGGG-CYBMUJFWSA-N 1 2 335.498 3.240 10 30 EGEELO C=C(C)COc1cc(C[NH2+]Cc2nccc(OC)c2F)ccc1OC ZINC000657673429 462223571 /nfs/dbraw/zinc/22/35/71/462223571.db2.gz QPAZOZUFMSTWEY-UHFFFAOYSA-N 1 2 346.402 3.483 10 30 EGEELO C=C(C)[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)c(F)c1 ZINC000651761172 462328680 /nfs/dbraw/zinc/32/86/80/462328680.db2.gz HMISJEIIFACLKS-LJQANCHMSA-N 1 2 345.393 3.474 10 30 EGEELO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000183940148 534081627 /nfs/dbraw/zinc/08/16/27/534081627.db2.gz OJQBHFJSLIHQDO-INIZCTEOSA-N 1 2 325.456 3.344 10 30 EGEELO COc1ccc(C#N)cc1C[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348793029 536643961 /nfs/dbraw/zinc/64/39/61/536643961.db2.gz DWIHXLGNBDRHPQ-UHFFFAOYSA-N 1 2 326.371 3.273 10 30 EGEELO COc1ccc(C#N)cc1C[N@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348793029 536643969 /nfs/dbraw/zinc/64/39/69/536643969.db2.gz DWIHXLGNBDRHPQ-UHFFFAOYSA-N 1 2 326.371 3.273 10 30 EGEELO C=CC[C@H](CC)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000684902625 550382953 /nfs/dbraw/zinc/38/29/53/550382953.db2.gz TWTFNWCIJMLBJZ-DLBZAZTESA-N 1 2 326.444 3.358 10 30 EGEELO COc1cccc(C(N)=[NH+]OCc2cc(Cl)ccc2OCC#N)c1 ZINC000742363674 576773393 /nfs/dbraw/zinc/77/33/93/576773393.db2.gz CLPWNYKAOXAXRO-UHFFFAOYSA-N 1 2 345.786 3.298 10 30 EGEELO C=C(Cl)C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)C(=O)OCC ZINC000877671738 1299468845 /nfs/dbraw/zinc/46/88/45/1299468845.db2.gz NVACKHBLRXREMI-OAHLLOKOSA-N 1 2 329.868 3.390 10 30 EGEELO C#CCn1ccc(C[N@@H+](CC)Cc2cnc(OC)c3ccccc23)n1 ZINC000878525689 1300051668 /nfs/dbraw/zinc/05/16/68/1300051668.db2.gz CNIQGASDMMZNTG-UHFFFAOYSA-N 1 2 334.423 3.095 10 30 EGEELO C#CCn1ccc(C[N@H+](CC)Cc2cnc(OC)c3ccccc23)n1 ZINC000878525689 1300051676 /nfs/dbraw/zinc/05/16/76/1300051676.db2.gz CNIQGASDMMZNTG-UHFFFAOYSA-N 1 2 334.423 3.095 10 30 EGEELO C#CC1(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CCCC1 ZINC000882533820 1302006394 /nfs/dbraw/zinc/00/63/94/1302006394.db2.gz NIFUWQINENRAQK-UHFFFAOYSA-N 1 2 334.423 3.073 10 30 EGEELO CC(C)(C)OC(=O)C1([NH2+]C[C@@H](O)CC2(C#N)CCC2)CCCCC1 ZINC000886085911 1303351429 /nfs/dbraw/zinc/35/14/29/1303351429.db2.gz FDUHWSYSAOTIQD-HNNXBMFYSA-N 1 2 336.476 3.065 10 30 EGEELO 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10 30 EGEELO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000931060942 1329038942 /nfs/dbraw/zinc/03/89/42/1329038942.db2.gz ZIXMUDVKKPYDLX-INIZCTEOSA-N 1 2 345.487 3.381 10 30 EGEELO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000931060942 1329038946 /nfs/dbraw/zinc/03/89/46/1329038946.db2.gz ZIXMUDVKKPYDLX-INIZCTEOSA-N 1 2 345.487 3.381 10 30 EGEELO N#Cc1ccccc1C[N@@H+]1CCOC[C@@H]1C[C@@H]1CNc2ccccc21 ZINC000923552653 1322776071 /nfs/dbraw/zinc/77/60/71/1322776071.db2.gz QXTDRKMZPZNCFY-MOPGFXCFSA-N 1 2 333.435 3.358 10 30 EGEELO N#Cc1ccccc1C[N@H+]1CCOC[C@@H]1C[C@@H]1CNc2ccccc21 ZINC000923552653 1322776074 /nfs/dbraw/zinc/77/60/74/1322776074.db2.gz QXTDRKMZPZNCFY-MOPGFXCFSA-N 1 2 333.435 3.358 10 30 EGEELO CC[C@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1cccc(C#N)c1O ZINC000924612709 1323076109 /nfs/dbraw/zinc/07/61/09/1323076109.db2.gz JQAMGHBGUYLBKH-ZWKOTPCHSA-N 1 2 326.396 3.047 10 30 EGEELO CC[C@@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1cccc(C#N)c1O ZINC000925025405 1323248319 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EGEELO CC(C)(C)C[C@H]1CC(=O)N(C[N@@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000863336168 1329547579 /nfs/dbraw/zinc/54/75/79/1329547579.db2.gz OEFJXOOYXIHNMW-MRXNPFEDSA-N 1 2 339.483 3.353 10 30 EGEELO CC(C)(C)C[C@H]1CC(=O)N(C[N@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000863336168 1329547582 /nfs/dbraw/zinc/54/75/82/1329547582.db2.gz OEFJXOOYXIHNMW-MRXNPFEDSA-N 1 2 339.483 3.353 10 30 EGEELO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2coc(C#N)c2)C[C@H](C)O1 ZINC000864912449 1329651191 /nfs/dbraw/zinc/65/11/91/1329651191.db2.gz FFDJUYRGYPURPP-OKILXGFUSA-N 1 2 339.395 3.013 10 30 EGEELO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2coc(C#N)c2)C[C@H](C)O1 ZINC000864912449 1329651193 /nfs/dbraw/zinc/65/11/93/1329651193.db2.gz FFDJUYRGYPURPP-OKILXGFUSA-N 1 2 339.395 3.013 10 30 EGEELO Cc1nc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)nc2ccccc12 ZINC000865443883 1329697902 /nfs/dbraw/zinc/69/79/02/1329697902.db2.gz DZBARQTUGUZOSW-UHFFFAOYSA-N 1 2 331.423 3.166 10 30 EGEELO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cccc(C#N)c1O ZINC000866214346 1330079306 /nfs/dbraw/zinc/07/93/06/1330079306.db2.gz NMHNVIMQBQSSLP-WMLDXEAASA-N 1 2 325.412 3.345 10 30 EGEELO COc1cccc(CC[NH2+][C@H](C)c2cccc(C#N)c2O)c1OC ZINC000866237014 1330082867 /nfs/dbraw/zinc/08/28/67/1330082867.db2.gz CXHXQWWVJHCSKP-CYBMUJFWSA-N 1 2 326.396 3.174 10 30 EGEELO C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1cccc(C#N)c1O ZINC000866241242 1330084172 /nfs/dbraw/zinc/08/41/72/1330084172.db2.gz ZNZOATQSTOZSLA-CYBMUJFWSA-N 1 2 327.453 3.034 10 30 EGEELO CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866270155 1330088147 /nfs/dbraw/zinc/08/81/47/1330088147.db2.gz SFKUMJJFMLXTOU-AUUYWEPGSA-N 1 2 340.423 3.435 10 30 EGEELO COc1ccc(COCC[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866289023 1330091335 /nfs/dbraw/zinc/09/13/35/1330091335.db2.gz SLNLGWSKVLQVBG-CQSZACIVSA-N 1 2 326.396 3.140 10 30 EGEELO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cccc(C#N)c3O)C2)cc1 ZINC000866385927 1330105076 /nfs/dbraw/zinc/10/50/76/1330105076.db2.gz SUCMYWGIOTVCIT-HOCLYGCPSA-N 1 2 337.423 3.202 10 30 EGEELO CC[C@@](C)(C#N)c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180702 1330182400 /nfs/dbraw/zinc/18/24/00/1330182400.db2.gz GAZZTFUQMOWWKA-LPHOPBHVSA-N 1 2 340.427 3.143 10 30 EGEELO CC[C@@](C)(C#N)c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180702 1330182402 /nfs/dbraw/zinc/18/24/02/1330182402.db2.gz GAZZTFUQMOWWKA-LPHOPBHVSA-N 1 2 340.427 3.143 10 30 EGEELO CCCn1cc[nH+]c1CCCN(C)C(=O)c1sccc1CC#N ZINC000867801845 1330221428 /nfs/dbraw/zinc/22/14/28/1330221428.db2.gz AIUWAUBYIXCRHO-UHFFFAOYSA-N 1 2 330.457 3.125 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2CC=CC2)C(C)(C)C1 ZINC000940643070 1331138107 /nfs/dbraw/zinc/13/81/07/1331138107.db2.gz NOTSZTNLGMYKPE-CQSZACIVSA-N 1 2 341.293 3.078 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2CC=CC2)C(C)(C)C1 ZINC000940643070 1331138109 /nfs/dbraw/zinc/13/81/09/1331138109.db2.gz NOTSZTNLGMYKPE-CQSZACIVSA-N 1 2 341.293 3.078 10 30 EGEELO CC(C)=C(C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001323286292 1387323212 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C=CCCCC(=O)NC1(C)CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001324329412 1387593262 /nfs/dbraw/zinc/59/32/62/1387593262.db2.gz QQJXVKYPHKLCMS-UHFFFAOYSA-N 1 2 331.460 3.379 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(CCCCC)n[nH]2)C1 ZINC001324655528 1387719014 /nfs/dbraw/zinc/71/90/14/1387719014.db2.gz GBPPOZHKHNOYLA-KRWDZBQOSA-N 1 2 338.883 3.089 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(CCCCC)n[nH]2)C1 ZINC001324655528 1387719016 /nfs/dbraw/zinc/71/90/16/1387719016.db2.gz GBPPOZHKHNOYLA-KRWDZBQOSA-N 1 2 338.883 3.089 10 30 EGEELO CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001118825883 1371235206 /nfs/dbraw/zinc/23/52/06/1371235206.db2.gz CSDIATCILTXNND-ZWKOTPCHSA-N 1 2 346.471 3.280 10 30 EGEELO CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001118825883 1371235212 /nfs/dbraw/zinc/23/52/12/1371235212.db2.gz CSDIATCILTXNND-ZWKOTPCHSA-N 1 2 346.471 3.280 10 30 EGEELO CC(=O)Oc1ccc(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC001119788526 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330.476 3.063 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001266333875 1377279622 /nfs/dbraw/zinc/27/96/22/1377279622.db2.gz VMNJZNGIEDZSJH-CQSZACIVSA-N 1 2 327.428 3.121 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001266333875 1377279625 /nfs/dbraw/zinc/27/96/25/1377279625.db2.gz VMNJZNGIEDZSJH-CQSZACIVSA-N 1 2 327.428 3.121 10 30 EGEELO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001266468298 1377315149 /nfs/dbraw/zinc/31/51/49/1377315149.db2.gz NQMLPERCIDYDHG-CABCVRRESA-N 1 2 341.293 3.222 10 30 EGEELO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001266468298 1377315148 /nfs/dbraw/zinc/31/51/48/1377315148.db2.gz NQMLPERCIDYDHG-CABCVRRESA-N 1 2 341.293 3.222 10 30 EGEELO CC(C)C#CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC001281931786 1378458543 /nfs/dbraw/zinc/45/85/43/1378458543.db2.gz FUHRTOTUTVVCLG-MRXNPFEDSA-N 1 2 345.487 3.054 10 30 EGEELO CC(C)C#CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC001281931786 1378458546 /nfs/dbraw/zinc/45/85/46/1378458546.db2.gz FUHRTOTUTVVCLG-MRXNPFEDSA-N 1 2 345.487 3.054 10 30 EGEELO C#CCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1c(F)cccc1F ZINC001281934393 1378459708 /nfs/dbraw/zinc/45/97/08/1378459708.db2.gz ZQVJEONMOMUKQA-OAHLLOKOSA-N 1 2 334.410 3.191 10 30 EGEELO C#CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1c(F)cccc1F ZINC001281934393 1378459711 /nfs/dbraw/zinc/45/97/11/1378459711.db2.gz ZQVJEONMOMUKQA-OAHLLOKOSA-N 1 2 334.410 3.191 10 30 EGEELO C#C[C@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)c1ccccc1 ZINC001143137345 1378546191 /nfs/dbraw/zinc/54/61/91/1378546191.db2.gz YOTVQRDWLFJZJW-FQEVSTJZSA-N 1 2 344.418 3.100 10 30 EGEELO CC(C)CCCC(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001282745540 1378597057 /nfs/dbraw/zinc/59/70/57/1378597057.db2.gz ZMIOHBLWEGMXGT-HNNXBMFYSA-N 1 2 345.462 3.460 10 30 EGEELO C#CCCCCC(=O)N[C@H]1C[N@@H+](Cc2csc(CC)n2)CC1(C)C ZINC001282796935 1378615210 /nfs/dbraw/zinc/61/52/10/1378615210.db2.gz LACHRHFDABLTBM-INIZCTEOSA-N 1 2 347.528 3.226 10 30 EGEELO C#CCCCCC(=O)N[C@H]1C[N@H+](Cc2csc(CC)n2)CC1(C)C ZINC001282796935 1378615213 /nfs/dbraw/zinc/61/52/13/1378615213.db2.gz LACHRHFDABLTBM-INIZCTEOSA-N 1 2 347.528 3.226 10 30 EGEELO C#CC[N@H+]1Cc2ccc(CNC(=O)CC(C)(C)C(F)(F)F)cc2C1 ZINC001327695570 1388585202 /nfs/dbraw/zinc/58/52/02/1388585202.db2.gz JAEWINBKQNAWNQ-UHFFFAOYSA-N 1 2 338.373 3.230 10 30 EGEELO C#CC[N@@H+]1Cc2ccc(CNC(=O)CC(C)(C)C(F)(F)F)cc2C1 ZINC001327695570 1388585208 /nfs/dbraw/zinc/58/52/08/1388585208.db2.gz JAEWINBKQNAWNQ-UHFFFAOYSA-N 1 2 338.373 3.230 10 30 EGEELO C=CCC1(C(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)CCC1 ZINC001283663364 1379090825 /nfs/dbraw/zinc/09/08/25/1379090825.db2.gz MHGGOKALZKKDPQ-GJZGRUSLSA-N 1 2 348.491 3.437 10 30 EGEELO CC(C)N(CC[N@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CC12CC2 ZINC001284544760 1379952577 /nfs/dbraw/zinc/95/25/77/1379952577.db2.gz OUKWLAVWFLQHRP-SFHVURJKSA-N 1 2 343.446 3.166 10 30 EGEELO CC(C)N(CC[N@@H+](C)Cc1cc(F)ccc1C#N)C(=O)[C@@H]1CC12CC2 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EGEELO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)COCCCCCC)CC2 ZINC001482247092 1394843658 /nfs/dbraw/zinc/84/36/58/1394843658.db2.gz YOJKYQGOCJFTNG-UHFFFAOYSA-N 1 2 342.911 3.260 10 30 EGEELO C=CCCC(=O)N1CC[C@]2(CC[N@@H+](Cc3nc(C(C)C)ns3)C2)C1 ZINC001483840444 1395106741 /nfs/dbraw/zinc/10/67/41/1395106741.db2.gz BHJLXOQELLUHMC-SFHVURJKSA-N 1 2 348.516 3.052 10 30 EGEELO C=CCCC(=O)N1CC[C@]2(CC[N@H+](Cc3nc(C(C)C)ns3)C2)C1 ZINC001483840444 1395106742 /nfs/dbraw/zinc/10/67/42/1395106742.db2.gz BHJLXOQELLUHMC-SFHVURJKSA-N 1 2 348.516 3.052 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001484058194 1395220031 /nfs/dbraw/zinc/22/00/31/1395220031.db2.gz UTJBZDYXMYGDLX-IFXJQAMLSA-N 1 2 331.460 3.235 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001484058194 1395220033 /nfs/dbraw/zinc/22/00/33/1395220033.db2.gz UTJBZDYXMYGDLX-IFXJQAMLSA-N 1 2 331.460 3.235 10 30 EGEELO C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(F)C(F)(F)F)C2 ZINC001484388788 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XGQYFDAHBZWVDZ-MAUKXSAKSA-N 1 2 345.462 3.414 10 30 EGEELO C#CCCCCC(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001485500942 1395982471 /nfs/dbraw/zinc/98/24/71/1395982471.db2.gz QRPWXGBZCGAWOB-AWEZNQCLSA-N 1 2 334.410 3.095 10 30 EGEELO C=C(Br)C[N@@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)C(C)(C)C1 ZINC001485562442 1396021215 /nfs/dbraw/zinc/02/12/15/1396021215.db2.gz ZMMADTSGXPFCQQ-JOHMGYAOSA-N 1 2 341.293 3.078 10 30 EGEELO C=C(Br)C[N@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)C(C)(C)C1 ZINC001485562442 1396021208 /nfs/dbraw/zinc/02/12/08/1396021208.db2.gz ZMMADTSGXPFCQQ-JOHMGYAOSA-N 1 2 341.293 3.078 10 30 EGEELO C=CCCCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1nnc(C(C)C)o1)CC2 ZINC001486146523 1396179548 /nfs/dbraw/zinc/17/95/48/1396179548.db2.gz HDVWQNYTCVQEKX-BEFAXECRSA-N 1 2 346.475 3.163 10 30 EGEELO C=CCCCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1nnc(C(C)C)o1)CC2 ZINC001486146523 1396179549 /nfs/dbraw/zinc/17/95/49/1396179549.db2.gz HDVWQNYTCVQEKX-BEFAXECRSA-N 1 2 346.475 3.163 10 30 EGEELO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(C(C)(C)C)no2)[C@H](C)C1 ZINC001502966094 1396235383 /nfs/dbraw/zinc/23/53/83/1396235383.db2.gz BRFSBJSIEIBHIZ-HUUCEWRRSA-N 1 2 348.491 3.193 10 30 EGEELO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)C)no2)[C@H](C)C1 ZINC001502966094 1396235385 /nfs/dbraw/zinc/23/53/85/1396235385.db2.gz BRFSBJSIEIBHIZ-HUUCEWRRSA-N 1 2 348.491 3.193 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC001502968780 1396235752 /nfs/dbraw/zinc/23/57/52/1396235752.db2.gz MXFZFZHCLKRFDY-WBVHZDCISA-N 1 2 343.471 3.215 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC001502968780 1396235756 /nfs/dbraw/zinc/23/57/56/1396235756.db2.gz MXFZFZHCLKRFDY-WBVHZDCISA-N 1 2 343.471 3.215 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(CC)o3)[C@H](C)C2)CCC1 ZINC001502987773 1396238075 /nfs/dbraw/zinc/23/80/75/1396238075.db2.gz MUCRZYUWYGMQBC-CVEARBPZSA-N 1 2 345.487 3.453 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ncc(CC)o3)[C@H](C)C2)CCC1 ZINC001502987773 1396238076 /nfs/dbraw/zinc/23/80/76/1396238076.db2.gz MUCRZYUWYGMQBC-CVEARBPZSA-N 1 2 345.487 3.453 10 30 EGEELO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1noc2c1CC(C)(C)CC2 ZINC001493083542 1396335515 /nfs/dbraw/zinc/33/55/15/1396335515.db2.gz JNCNVPNCODDNIT-HNNXBMFYSA-N 1 2 345.487 3.236 10 30 EGEELO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1noc2c1CC(C)(C)CC2 ZINC001493083542 1396335516 /nfs/dbraw/zinc/33/55/16/1396335516.db2.gz JNCNVPNCODDNIT-HNNXBMFYSA-N 1 2 345.487 3.236 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)c2ccc(OC)cc2)C1 ZINC001494737870 1396490847 /nfs/dbraw/zinc/49/08/47/1396490847.db2.gz GWVORTGTPLTINM-BBRMVZONSA-N 1 2 336.863 3.132 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)c2ccc(OC)cc2)C1 ZINC001494737870 1396490850 /nfs/dbraw/zinc/49/08/50/1396490850.db2.gz GWVORTGTPLTINM-BBRMVZONSA-N 1 2 336.863 3.132 10 30 EGEELO C=CCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nc(C(C)C)ns2)C1 ZINC001699006529 1406829428 /nfs/dbraw/zinc/82/94/28/1406829428.db2.gz CSDIREHXKVAKIM-HUUCEWRRSA-N 1 2 348.516 3.051 10 30 EGEELO C=CCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nc(C(C)C)ns2)C1 ZINC001699006529 1406829432 /nfs/dbraw/zinc/82/94/32/1406829432.db2.gz CSDIREHXKVAKIM-HUUCEWRRSA-N 1 2 348.516 3.051 10 30 EGEELO C[C@@H](C[N@H+](C)Cc1nc(C(C)(C)C)cs1)NC(=O)C#CC(C)(C)C ZINC001498275629 1396955636 /nfs/dbraw/zinc/95/56/36/1396955636.db2.gz GTBFBEDVDDYVIT-AWEZNQCLSA-N 1 2 349.544 3.427 10 30 EGEELO C[C@@H](C[N@@H+](C)Cc1nc(C(C)(C)C)cs1)NC(=O)C#CC(C)(C)C ZINC001498275629 1396955640 /nfs/dbraw/zinc/95/56/40/1396955640.db2.gz GTBFBEDVDDYVIT-AWEZNQCLSA-N 1 2 349.544 3.427 10 30 EGEELO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001689167135 1396957091 /nfs/dbraw/zinc/95/70/91/1396957091.db2.gz XDSXYKCICLKLTM-KNXALSJPSA-N 1 2 337.826 3.108 10 30 EGEELO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CC[N@H+]1Cc1ccc(Cl)cc1F ZINC001689167135 1396957095 /nfs/dbraw/zinc/95/70/95/1396957095.db2.gz XDSXYKCICLKLTM-KNXALSJPSA-N 1 2 337.826 3.108 10 30 EGEELO C=CCCC(=O)N1CCCCC[C@H]([NH2+]Cc2noc(CCCC)n2)C1 ZINC001689257101 1396991981 /nfs/dbraw/zinc/99/19/81/1396991981.db2.gz VMTFIRRZCVBISW-INIZCTEOSA-N 1 2 348.491 3.239 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(=C)C)[C@H]1C ZINC001689309654 1397029320 /nfs/dbraw/zinc/02/93/20/1397029320.db2.gz VMESRWDVSWZBGE-OLZOCXBDSA-N 1 2 329.282 3.076 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(=C)C)[C@H]1C ZINC001689309654 1397029324 /nfs/dbraw/zinc/02/93/24/1397029324.db2.gz VMESRWDVSWZBGE-OLZOCXBDSA-N 1 2 329.282 3.076 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2csc(C3CC3)n2)[C@@H]1C ZINC001689311015 1397030728 /nfs/dbraw/zinc/03/07/28/1397030728.db2.gz KDUIQAINHATLCS-PBHICJAKSA-N 1 2 345.512 3.293 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2csc(C3CC3)n2)[C@@H]1C ZINC001689311015 1397030733 /nfs/dbraw/zinc/03/07/33/1397030733.db2.gz KDUIQAINHATLCS-PBHICJAKSA-N 1 2 345.512 3.293 10 30 EGEELO C#CCN(CC#CC)c1nnc(C(C)C)n1CCCc1cccc(C)[nH+]1 ZINC001690031571 1404270620 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343.471 3.295 10 30 EGEELO CC#CCCCC(=O)N(C)CCC[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC001733775891 1430020956 /nfs/dbraw/zinc/02/09/56/1430020956.db2.gz MONSRDZJTGEMKM-UHFFFAOYSA-N 1 2 347.503 3.446 10 30 EGEELO CC#CCCCC(=O)N(C)CCC[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC001733775891 1430020966 /nfs/dbraw/zinc/02/09/66/1430020966.db2.gz MONSRDZJTGEMKM-UHFFFAOYSA-N 1 2 347.503 3.446 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@@H]1COC2(C[NH+](CC3=CCCCC3)C2)C1 ZINC001733797014 1430063742 /nfs/dbraw/zinc/06/37/42/1430063742.db2.gz VFZLELNYMDQQBE-IBGZPJMESA-N 1 2 344.499 3.215 10 30 EGEELO C=CCCC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccn1 ZINC001733809047 1430084224 /nfs/dbraw/zinc/08/42/24/1430084224.db2.gz RJNYMRKLNPIDHU-FQEVSTJZSA-N 1 2 335.451 3.091 10 30 EGEELO C=CCCC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccn1 ZINC001733809047 1430084225 /nfs/dbraw/zinc/08/42/25/1430084225.db2.gz RJNYMRKLNPIDHU-FQEVSTJZSA-N 1 2 335.451 3.091 10 30 EGEELO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@](C)(F)CCCC ZINC001733810388 1430087042 /nfs/dbraw/zinc/08/70/42/1430087042.db2.gz JGUDPNVESOACSX-FPOVZHCZSA-N 1 2 344.474 3.471 10 30 EGEELO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@](C)(F)CCCC ZINC001733810388 1430087043 /nfs/dbraw/zinc/08/70/43/1430087043.db2.gz JGUDPNVESOACSX-FPOVZHCZSA-N 1 2 344.474 3.471 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC001733900470 1437718520 /nfs/dbraw/zinc/71/85/20/1437718520.db2.gz OVGKWFREGSMDRB-KDOFPFPSSA-N 1 2 343.446 3.379 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC001733900470 1437718521 /nfs/dbraw/zinc/71/85/21/1437718521.db2.gz OVGKWFREGSMDRB-KDOFPFPSSA-N 1 2 343.446 3.379 10 30 EGEELO C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2nc(CCCC)no2)CC1 ZINC001733986633 1437783081 /nfs/dbraw/zinc/78/30/81/1437783081.db2.gz BASNKDCBDCEHFO-CABCVRRESA-N 1 2 348.491 3.141 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@H](C)[N@H+](C)Cc1nc2ccccc2n1C ZINC001734047969 1437837162 /nfs/dbraw/zinc/83/71/62/1437837162.db2.gz HGSRLIGZXNXRDC-MGPUTAFESA-N 1 2 342.487 3.112 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@H](C)[N@@H+](C)Cc1nc2ccccc2n1C ZINC001734047969 1437837166 /nfs/dbraw/zinc/83/71/66/1437837166.db2.gz HGSRLIGZXNXRDC-MGPUTAFESA-N 1 2 342.487 3.112 10 30 EGEELO N#Cc1ccc(F)cc1C[N@H+]1CCCCC[C@@H]1CNC(=O)CCCF ZINC001734104098 1437889611 /nfs/dbraw/zinc/88/96/11/1437889611.db2.gz QDOWRFKFMQTMHR-GOSISDBHSA-N 1 2 349.425 3.308 10 30 EGEELO N#Cc1ccc(F)cc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCF ZINC001734104098 1437889613 /nfs/dbraw/zinc/88/96/13/1437889613.db2.gz QDOWRFKFMQTMHR-GOSISDBHSA-N 1 2 349.425 3.308 10 30 EGEELO CC/C=C(/C)C(=O)N[C@H](C)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC001734109329 1437895432 /nfs/dbraw/zinc/89/54/32/1437895432.db2.gz INODVENJJCYKCZ-MVMZHWFQSA-N 1 2 344.886 3.484 10 30 EGEELO C=CCC1(C(=O)N[C@H](C)C2C[NH+](Cc3ccc(Cl)nc3)C2)CCC1 ZINC001734122513 1437902482 /nfs/dbraw/zinc/90/24/82/1437902482.db2.gz RLOLIYOHUHCXHG-CQSZACIVSA-N 1 2 347.890 3.418 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@H+](Cc2ncc(C)s2)CC1(C)C ZINC001734149300 1437917003 /nfs/dbraw/zinc/91/70/03/1437917003.db2.gz HSROSXPNRHFBTH-AWEZNQCLSA-N 1 2 335.517 3.380 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@@H+](Cc2ncc(C)s2)CC1(C)C ZINC001734149300 1437917004 /nfs/dbraw/zinc/91/70/04/1437917004.db2.gz HSROSXPNRHFBTH-AWEZNQCLSA-N 1 2 335.517 3.380 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C(F)F)s1 ZINC001734337734 1438058975 /nfs/dbraw/zinc/05/89/75/1438058975.db2.gz VPZVPFPPPCEPKB-SNVBAGLBSA-N 1 2 346.447 3.015 10 30 EGEELO C#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)[C@@H]1C ZINC001734457133 1438114505 /nfs/dbraw/zinc/11/45/05/1438114505.db2.gz YVUYVBZDIVHAAX-RDTXWAMCSA-N 1 2 334.410 3.237 10 30 EGEELO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)[C@@H]1C ZINC001734457133 1438114507 /nfs/dbraw/zinc/11/45/07/1438114507.db2.gz YVUYVBZDIVHAAX-RDTXWAMCSA-N 1 2 334.410 3.237 10 30 EGEELO CC(C)N(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@H]1CC12CC2 ZINC001734550544 1438147793 /nfs/dbraw/zinc/14/77/93/1438147793.db2.gz HZGRGARITVLQTI-QGZVFWFLSA-N 1 2 343.446 3.166 10 30 EGEELO CC(C)N(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@H]1CC12CC2 ZINC001734550544 1438147794 /nfs/dbraw/zinc/14/77/94/1438147794.db2.gz HZGRGARITVLQTI-QGZVFWFLSA-N 1 2 343.446 3.166 10 30 EGEELO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1ccc2n[nH]cc2c1)C(C)C ZINC001734551204 1438148722 /nfs/dbraw/zinc/14/87/22/1438148722.db2.gz CNZUTSYATCKMMY-UHFFFAOYSA-N 1 2 334.851 3.098 10 30 EGEELO C=C(Cl)C[N@H+](C)CCN(C(=O)c1ccc2n[nH]cc2c1)C(C)C ZINC001734551204 1438148725 /nfs/dbraw/zinc/14/87/25/1438148725.db2.gz CNZUTSYATCKMMY-UHFFFAOYSA-N 1 2 334.851 3.098 10 30 EGEELO C=C(Cl)C[N@H+]1CC=C(CNC(=O)Cc2cc(C)cc(C)c2)CC1 ZINC001734631985 1438194061 /nfs/dbraw/zinc/19/40/61/1438194061.db2.gz XKVPHRVBOWDIIN-UHFFFAOYSA-N 1 2 332.875 3.347 10 30 EGEELO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)Cc2cc(C)cc(C)c2)CC1 ZINC001734631985 1438194062 /nfs/dbraw/zinc/19/40/62/1438194062.db2.gz XKVPHRVBOWDIIN-UHFFFAOYSA-N 1 2 332.875 3.347 10 30 EGEELO C=C(C)CCC(=O)N(CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001737278577 1438750553 /nfs/dbraw/zinc/75/05/53/1438750553.db2.gz UXKRNAHYHWYKOB-UHFFFAOYSA-N 1 2 345.487 3.332 10 30 EGEELO N#Cc1ccc(Cn2c3ccccc3[nH+]c2N2CCC(CO)CC2)cc1 ZINC000095078689 218273472 /nfs/dbraw/zinc/27/34/72/218273472.db2.gz MBTYWTSKLZVIQU-UHFFFAOYSA-N 1 2 346.434 3.165 10 30 EGEELO C=CCN(C(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1)c1ccccc1 ZINC000048280041 258015310 /nfs/dbraw/zinc/01/53/10/258015310.db2.gz WNVBRHACHPCSDR-QGZVFWFLSA-N 1 2 325.412 3.339 10 30 EGEELO C=CCN(C(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1)c1ccccc1 ZINC000048280041 258015311 /nfs/dbraw/zinc/01/53/11/258015311.db2.gz WNVBRHACHPCSDR-QGZVFWFLSA-N 1 2 325.412 3.339 10 30 EGEELO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1nc2ccccc2s1 ZINC000120788462 152300386 /nfs/dbraw/zinc/30/03/86/152300386.db2.gz IUUWWGWOCHSDIE-UHFFFAOYSA-N 1 2 333.420 3.448 10 30 EGEELO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1nc2ccccc2s1 ZINC000120788462 152300388 /nfs/dbraw/zinc/30/03/88/152300388.db2.gz IUUWWGWOCHSDIE-UHFFFAOYSA-N 1 2 333.420 3.448 10 30 EGEELO CN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1nc2ccccc2s1 ZINC000120788462 152300393 /nfs/dbraw/zinc/30/03/93/152300393.db2.gz IUUWWGWOCHSDIE-UHFFFAOYSA-N 1 2 333.420 3.448 10 30 EGEELO N#Cc1ccc(C[NH2+][C@@H](CCO)c2ccccc2Br)o1 ZINC000358970550 167023907 /nfs/dbraw/zinc/02/39/07/167023907.db2.gz DJENMZMYIWVZQZ-HNNXBMFYSA-N 1 2 335.201 3.127 10 30 EGEELO N#Cc1ccsc1C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000366911657 168156183 /nfs/dbraw/zinc/15/61/83/168156183.db2.gz VUPQKVCOVRGJKX-CQSZACIVSA-N 1 2 331.828 3.060 10 30 EGEELO CC1=C(c2ccco2)C[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000367220769 168194536 /nfs/dbraw/zinc/19/45/36/168194536.db2.gz YFNLNRVFRNHSIP-UHFFFAOYSA-N 1 2 327.409 3.331 10 30 EGEELO CC1=C(c2ccco2)C[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000367220769 168194537 /nfs/dbraw/zinc/19/45/37/168194537.db2.gz YFNLNRVFRNHSIP-UHFFFAOYSA-N 1 2 327.409 3.331 10 30 EGEELO C[C@H]1CN(c2ccc(CNc3ccc(F)cc3C#N)c[nH+]2)C[C@H](C)O1 ZINC000301207587 267239388 /nfs/dbraw/zinc/23/93/88/267239388.db2.gz RDYZBOCXWBBKPJ-KBPBESRZSA-N 1 2 340.402 3.318 10 30 EGEELO Cc1ccc([C@H](CNc2ccc(C)c(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000302602287 267444338 /nfs/dbraw/zinc/44/43/38/267444338.db2.gz CKDUPIOWMNXNAV-IBGZPJMESA-N 1 2 336.439 3.056 10 30 EGEELO Cc1ccc2sc(C[NH+]3CCN(c4ncccc4C#N)CC3)nc2c1 ZINC000528337694 268050206 /nfs/dbraw/zinc/05/02/06/268050206.db2.gz CSPWKHMGMVIFRR-UHFFFAOYSA-N 1 2 349.463 3.194 10 30 EGEELO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2C)c(C#N)c1C ZINC000487987062 268104921 /nfs/dbraw/zinc/10/49/21/268104921.db2.gz JQQPOLJAEWXQPC-UHFFFAOYSA-N 1 2 329.375 3.286 10 30 EGEELO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(F)cc2C)c(C#N)c1C ZINC000487987062 268104923 /nfs/dbraw/zinc/10/49/23/268104923.db2.gz JQQPOLJAEWXQPC-UHFFFAOYSA-N 1 2 329.375 3.286 10 30 EGEELO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459443749 268135567 /nfs/dbraw/zinc/13/55/67/268135567.db2.gz AYMQCFKTSMRVMX-CVEARBPZSA-N 1 2 349.394 3.020 10 30 EGEELO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459443749 268135568 /nfs/dbraw/zinc/13/55/68/268135568.db2.gz AYMQCFKTSMRVMX-CVEARBPZSA-N 1 2 349.394 3.020 10 30 EGEELO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451904770 268174548 /nfs/dbraw/zinc/17/45/48/268174548.db2.gz BFVFFHNOPSGXIJ-MRXNPFEDSA-N 1 2 335.245 3.323 10 30 EGEELO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451904770 268174549 /nfs/dbraw/zinc/17/45/49/268174549.db2.gz BFVFFHNOPSGXIJ-MRXNPFEDSA-N 1 2 335.245 3.323 10 30 EGEELO N#Cc1ccccc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000302935192 268276701 /nfs/dbraw/zinc/27/67/01/268276701.db2.gz HRZWJPUPQRTRJW-UHFFFAOYSA-N 1 2 341.842 3.413 10 30 EGEELO N#Cc1csc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281868237 275583805 /nfs/dbraw/zinc/58/38/05/275583805.db2.gz CKLJXBIRNDBYHL-CQSZACIVSA-N 1 2 340.452 3.172 10 30 EGEELO N#Cc1cc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)ccc1Cl ZINC000539748875 314333487 /nfs/dbraw/zinc/33/34/87/314333487.db2.gz 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ZINC000174228131 323303900 /nfs/dbraw/zinc/30/39/00/323303900.db2.gz BAKFIKDJDWOLOU-OLZOCXBDSA-N 1 2 341.386 3.384 10 30 EGEELO N#Cc1csc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)n1 ZINC000581040802 325323477 /nfs/dbraw/zinc/32/34/77/325323477.db2.gz RSSDOPPYHCBEEA-HNNXBMFYSA-N 1 2 327.457 3.494 10 30 EGEELO N#CC1(C[C@@H](O)CNc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000600741137 460586892 /nfs/dbraw/zinc/58/68/92/460586892.db2.gz CBNJBNYJNHCGGA-MRXNPFEDSA-N 1 2 334.423 3.068 10 30 EGEELO N#Cc1ccc(CCC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000042801366 454026334 /nfs/dbraw/zinc/02/63/34/454026334.db2.gz UFXWLRRYNRFRFC-UHFFFAOYSA-N 1 2 338.798 3.108 10 30 EGEELO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000057703855 454142218 /nfs/dbraw/zinc/14/22/18/454142218.db2.gz SSKOVJXYWKMJCO-QGZVFWFLSA-N 1 2 348.450 3.016 10 30 EGEELO C=CC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000119571235 454205333 /nfs/dbraw/zinc/20/53/33/454205333.db2.gz ANDOKLYALYXSCF-KNXALSJPSA-N 1 2 339.842 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1328935932 /nfs/dbraw/zinc/93/59/32/1328935932.db2.gz SDQIPYZRJADJJE-SFTDATJTSA-N 1 2 336.435 3.191 10 30 EGEELO Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1C#N ZINC000859166138 1328935935 /nfs/dbraw/zinc/93/59/35/1328935935.db2.gz SDQIPYZRJADJJE-SFTDATJTSA-N 1 2 336.435 3.191 10 30 EGEELO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2ccccc21 ZINC000930921717 1329008974 /nfs/dbraw/zinc/00/89/74/1329008974.db2.gz GZVWGWQQGOCPQB-LJQANCHMSA-N 1 2 349.434 3.394 10 30 EGEELO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2ccccc21 ZINC000930921717 1329008978 /nfs/dbraw/zinc/00/89/78/1329008978.db2.gz GZVWGWQQGOCPQB-LJQANCHMSA-N 1 2 349.434 3.394 10 30 EGEELO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000931060943 1329038839 /nfs/dbraw/zinc/03/88/39/1329038839.db2.gz ZIXMUDVKKPYDLX-MRXNPFEDSA-N 1 2 345.487 3.381 10 30 EGEELO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000931060943 1329038841 /nfs/dbraw/zinc/03/88/41/1329038841.db2.gz ZIXMUDVKKPYDLX-MRXNPFEDSA-N 1 2 345.487 3.381 10 30 EGEELO CC[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1cccc(C#N)c1O ZINC000924757412 1323147054 /nfs/dbraw/zinc/14/70/54/1323147054.db2.gz RLPREUUIZDEICH-BEFAXECRSA-N 1 2 342.414 3.295 10 30 EGEELO CC[C@@H]([NH2+]CCCNC(=O)c1occc1C)c1cccc(C#N)c1O ZINC000925454353 1325157112 /nfs/dbraw/zinc/15/71/12/1325157112.db2.gz PUEOCSZHCCRKDG-MRXNPFEDSA-N 1 2 341.411 3.026 10 30 EGEELO CC[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cccc(C#N)c1O ZINC000926418569 1325546440 /nfs/dbraw/zinc/54/64/40/1325546440.db2.gz SPZFAAQXIIJNMZ-UUOWRZLLSA-N 1 2 342.464 3.383 10 30 EGEELO CC[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cccc(C#N)c1O ZINC000926497553 1325576277 /nfs/dbraw/zinc/57/62/77/1325576277.db2.gz LLYPMXCMTSNJRC-SJLPKXTDSA-N 1 2 328.387 3.047 10 30 EGEELO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2ccc(CCC#N)cc2)cc1 ZINC000928399215 1328308064 /nfs/dbraw/zinc/30/80/64/1328308064.db2.gz LSIQTJZWGVHYJN-FQEVSTJZSA-N 1 2 349.434 3.364 10 30 EGEELO COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2ccc(CCC#N)cc2)cc1 ZINC000928399215 1328308072 /nfs/dbraw/zinc/30/80/72/1328308072.db2.gz LSIQTJZWGVHYJN-FQEVSTJZSA-N 1 2 349.434 3.364 10 30 EGEELO C[C@@H]1C(=O)N(C[N@@H+]2CCc3c(CC#N)cccc3C2)[C@@H]1c1ccccc1 ZINC000863335007 1329547515 /nfs/dbraw/zinc/54/75/15/1329547515.db2.gz AYNPMRSXVRDCBR-KKSFZXQISA-N 1 2 345.446 3.288 10 30 EGEELO C[C@@H]1C(=O)N(C[N@H+]2CCc3c(CC#N)cccc3C2)[C@@H]1c1ccccc1 ZINC000863335007 1329547517 /nfs/dbraw/zinc/54/75/17/1329547517.db2.gz AYNPMRSXVRDCBR-KKSFZXQISA-N 1 2 345.446 3.288 10 30 EGEELO C#Cc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000933367256 1329883278 /nfs/dbraw/zinc/88/32/78/1329883278.db2.gz VIYGARKMMDTMJH-UHFFFAOYSA-N 1 2 328.803 3.456 10 30 EGEELO C#Cc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(Cl)c1 ZINC000933367256 1329883279 /nfs/dbraw/zinc/88/32/79/1329883279.db2.gz VIYGARKMMDTMJH-UHFFFAOYSA-N 1 2 328.803 3.456 10 30 EGEELO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cccc(C#N)c1O ZINC000866214345 1330079261 /nfs/dbraw/zinc/07/92/61/1330079261.db2.gz NMHNVIMQBQSSLP-RHSMWYFYSA-N 1 2 325.412 3.345 10 30 EGEELO C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1cccc(C#N)c1O ZINC000866212981 1330079426 /nfs/dbraw/zinc/07/94/26/1330079426.db2.gz LVWFIEDNHHUDIA-FZKQIMNGSA-N 1 2 327.403 3.356 10 30 EGEELO C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cccc(C#N)c1O ZINC000866238221 1330083021 /nfs/dbraw/zinc/08/30/21/1330083021.db2.gz NPMOOKQAIDWBGL-HNAYVOBHSA-N 1 2 349.434 3.278 10 30 EGEELO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cccc(C#N)c1O ZINC000866238224 1330083311 /nfs/dbraw/zinc/08/33/11/1330083311.db2.gz NPMOOKQAIDWBGL-KXBFYZLASA-N 1 2 349.434 3.278 10 30 EGEELO C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1cccc(C#N)c1O ZINC000866295799 1330092151 /nfs/dbraw/zinc/09/21/51/1330092151.db2.gz CNNXPULQEUFFHF-CQSZACIVSA-N 1 2 329.444 3.001 10 30 EGEELO Cc1noc(C2CCC([NH2+][C@H](C)c3cccc(C#N)c3O)CC2)n1 ZINC000866306088 1330093908 /nfs/dbraw/zinc/09/39/08/1330093908.db2.gz XKUHIRSHTRYUHI-NUYPLMSZSA-N 1 2 326.400 3.332 10 30 EGEELO C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc(C#N)c1O ZINC000866343155 1330099293 /nfs/dbraw/zinc/09/92/93/1330099293.db2.gz IVRLVMQXMYQAJA-RBOXIYTFSA-N 1 2 342.361 3.398 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(C)C)C(C)(C)C1 ZINC000940685667 1331156934 /nfs/dbraw/zinc/15/69/34/1331156934.db2.gz FXTWEIIFPSASRS-QWHCGFSZSA-N 1 2 343.309 3.158 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(C)C)C(C)(C)C1 ZINC000940685667 1331156937 /nfs/dbraw/zinc/15/69/37/1331156937.db2.gz FXTWEIIFPSASRS-QWHCGFSZSA-N 1 2 343.309 3.158 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C(C)(C)C1 ZINC000941045577 1331305722 /nfs/dbraw/zinc/30/57/22/1331305722.db2.gz XVINATVSRXYQQV-MCIONIFRSA-N 1 2 343.309 3.158 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C(C)(C)C1 ZINC000941045577 1331305725 /nfs/dbraw/zinc/30/57/25/1331305725.db2.gz XVINATVSRXYQQV-MCIONIFRSA-N 1 2 343.309 3.158 10 30 EGEELO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+]1Cc1cn(C(C)C)nc1C ZINC001323307481 1387330116 /nfs/dbraw/zinc/33/01/16/1387330116.db2.gz BQLSLEBZPWKGDT-QGZVFWFLSA-N 1 2 332.492 3.065 10 30 EGEELO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1Cc1cn(C(C)C)nc1C ZINC001323307481 1387330121 /nfs/dbraw/zinc/33/01/21/1387330121.db2.gz BQLSLEBZPWKGDT-QGZVFWFLSA-N 1 2 332.492 3.065 10 30 EGEELO N#C[C@]1(c2ccccn2)CCC[N@H+](CCN2CCCc3ccccc32)C1 ZINC001196789254 1368685419 /nfs/dbraw/zinc/68/54/19/1368685419.db2.gz JDOMTUSASYWERQ-JOCHJYFZSA-N 1 2 346.478 3.392 10 30 EGEELO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCN2CCCc3ccccc32)C1 ZINC001196789254 1368685421 /nfs/dbraw/zinc/68/54/21/1368685421.db2.gz JDOMTUSASYWERQ-JOCHJYFZSA-N 1 2 346.478 3.392 10 30 EGEELO CC(C)C#CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C/C(Cl)=C\Cl ZINC001325899638 1388072505 /nfs/dbraw/zinc/07/25/05/1388072505.db2.gz NHKOHVKUELCJRM-RTZSPXFWSA-N 1 2 329.271 3.030 10 30 EGEELO CC(C)C#CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2C/C(Cl)=C\Cl ZINC001325899638 1388072512 /nfs/dbraw/zinc/07/25/12/1388072512.db2.gz NHKOHVKUELCJRM-RTZSPXFWSA-N 1 2 329.271 3.030 10 30 EGEELO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)[C@@H](C)CC#N ZINC001121689789 1372047902 /nfs/dbraw/zinc/04/79/02/1372047902.db2.gz HEQLQNRKSIEXJM-JKSUJKDBSA-N 1 2 341.463 3.034 10 30 EGEELO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)Cc1ccsc1 ZINC001122398568 1372241229 /nfs/dbraw/zinc/24/12/29/1372241229.db2.gz WDLMVLWZGHFXTE-UHFFFAOYSA-N 1 2 331.489 3.148 10 30 EGEELO C=CC[C@H]1CCCN(c2nnc(C[NH+]3CCCC3)n2CC(=C)C)C1 ZINC001122487587 1372258051 /nfs/dbraw/zinc/25/80/51/1372258051.db2.gz CQMNNTJECYHOEM-KRWDZBQOSA-N 1 2 329.492 3.243 10 30 EGEELO C#C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC001210922008 1372454327 /nfs/dbraw/zinc/45/43/27/1372454327.db2.gz ICRFGMIRQZDFBE-HXUWFJFHSA-N 1 2 344.418 3.105 10 30 EGEELO C#CCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1F ZINC001266839403 1377388320 /nfs/dbraw/zinc/38/83/20/1377388320.db2.gz AKAJRNWMHZMUHV-KRWDZBQOSA-N 1 2 334.410 3.239 10 30 EGEELO C#CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1F ZINC001266839403 1377388324 /nfs/dbraw/zinc/38/83/24/1377388324.db2.gz AKAJRNWMHZMUHV-KRWDZBQOSA-N 1 2 334.410 3.239 10 30 EGEELO C=CCN(CCc1ccccc1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001136513158 1377401523 /nfs/dbraw/zinc/40/15/23/1377401523.db2.gz RFERKBZBCJHGNR-UHFFFAOYSA-N 1 2 347.418 3.449 10 30 EGEELO C=CCC1(C(=O)NC2C[NH+](CC[C@@H]3CC3(Cl)Cl)C2)CCC1 ZINC001268446737 1377508543 /nfs/dbraw/zinc/50/85/43/1377508543.db2.gz KJZHARNLCFJFEW-GFCCVEGCSA-N 1 2 331.287 3.117 10 30 EGEELO C=CCC1(C(=O)N(C)CC[N@H+](C)Cc2nc(C)cs2)CCCC1 ZINC001272185264 1377661299 /nfs/dbraw/zinc/66/12/99/1377661299.db2.gz JVKTWNXASYBDSG-UHFFFAOYSA-N 1 2 335.517 3.478 10 30 EGEELO C=CCC1(C(=O)N(C)CC[N@@H+](C)Cc2nc(C)cs2)CCCC1 ZINC001272185264 1377661303 /nfs/dbraw/zinc/66/13/03/1377661303.db2.gz JVKTWNXASYBDSG-UHFFFAOYSA-N 1 2 335.517 3.478 10 30 EGEELO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1(CC=C)CCCC1 ZINC001327511497 1388541579 /nfs/dbraw/zinc/54/15/79/1388541579.db2.gz GROMVRGKAHQIPM-FQEVSTJZSA-N 1 2 336.479 3.299 10 30 EGEELO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1(CC=C)CCCC1 ZINC001327511497 1388541581 /nfs/dbraw/zinc/54/15/81/1388541581.db2.gz GROMVRGKAHQIPM-FQEVSTJZSA-N 1 2 336.479 3.299 10 30 EGEELO C=C(Br)C[N@H+]1CC=C(CNC(=O)C[C@@H](C)C2CC2)CC1 ZINC001279696201 1378318135 /nfs/dbraw/zinc/31/81/35/1378318135.db2.gz UKOSZIOMBZKNLU-GFCCVEGCSA-N 1 2 341.293 3.080 10 30 EGEELO C=C(Br)C[N@@H+]1CC=C(CNC(=O)C[C@@H](C)C2CC2)CC1 ZINC001279696201 1378318137 /nfs/dbraw/zinc/31/81/37/1378318137.db2.gz UKOSZIOMBZKNLU-GFCCVEGCSA-N 1 2 341.293 3.080 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001282732789 1378581583 /nfs/dbraw/zinc/58/15/83/1378581583.db2.gz ATRZPNVITZWQFW-ZDUSSCGKSA-N 1 2 335.879 3.274 10 30 EGEELO C#CCCCCC(=O)N[C@H]1C[N@@H+](Cc2cc(F)ccc2F)CC1(C)C ZINC001282796798 1378615723 /nfs/dbraw/zinc/61/57/23/1378615723.db2.gz JUVHKYFCBBGHMV-SFHVURJKSA-N 1 2 348.437 3.485 10 30 EGEELO C#CCCCCC(=O)N[C@H]1C[N@H+](Cc2cc(F)ccc2F)CC1(C)C ZINC001282796798 1378615725 /nfs/dbraw/zinc/61/57/25/1378615725.db2.gz JUVHKYFCBBGHMV-SFHVURJKSA-N 1 2 348.437 3.485 10 30 EGEELO C=C(C)CCC(=O)N[C@H]1C[N@H+](CC(=C)Br)CC1(C)C ZINC001282809972 1378620884 /nfs/dbraw/zinc/62/08/84/1378620884.db2.gz GWQKSEGKWRIGKH-ZDUSSCGKSA-N 1 2 329.282 3.078 10 30 EGEELO C=C(C)CCC(=O)N[C@H]1C[N@@H+](CC(=C)Br)CC1(C)C ZINC001282809972 1378620887 /nfs/dbraw/zinc/62/08/87/1378620887.db2.gz GWQKSEGKWRIGKH-ZDUSSCGKSA-N 1 2 329.282 3.078 10 30 EGEELO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)[C@H]1C ZINC001284121848 1379496038 /nfs/dbraw/zinc/49/60/38/1379496038.db2.gz MOSPSFJJSMPXCA-KSSFIOAISA-N 1 2 348.874 3.174 10 30 EGEELO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)[C@H]1C ZINC001284121848 1379496039 /nfs/dbraw/zinc/49/60/39/1379496039.db2.gz MOSPSFJJSMPXCA-KSSFIOAISA-N 1 2 348.874 3.174 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001284130619 1379511466 /nfs/dbraw/zinc/51/14/66/1379511466.db2.gz LWZFFCNSKSTYPP-GDBMZVCRSA-N 1 2 333.476 3.363 10 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ZINC001284559671 1379968941 /nfs/dbraw/zinc/96/89/41/1379968941.db2.gz WMJCAWCLKNVEHZ-UHFFFAOYSA-N 1 2 332.875 3.350 10 30 EGEELO C=C(Cl)C[N@H+](C)CCN(C(=O)CC#Cc1ccccc1)C(C)C ZINC001284559671 1379968942 /nfs/dbraw/zinc/96/89/42/1379968942.db2.gz WMJCAWCLKNVEHZ-UHFFFAOYSA-N 1 2 332.875 3.350 10 30 EGEELO C=CC[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C)COC ZINC001307923208 1384056715 /nfs/dbraw/zinc/05/67/15/1384056715.db2.gz FSSSBYXMCNVGRT-LLVKDONJSA-N 1 2 331.243 3.455 10 30 EGEELO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C)COC ZINC001307923208 1384056722 /nfs/dbraw/zinc/05/67/22/1384056722.db2.gz FSSSBYXMCNVGRT-LLVKDONJSA-N 1 2 331.243 3.455 10 30 EGEELO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001307967011 1384064274 /nfs/dbraw/zinc/06/42/74/1384064274.db2.gz MJYHDIWIVOMRHS-HXUWFJFHSA-N 1 2 349.434 3.349 10 30 EGEELO C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC001309676992 1384192151 /nfs/dbraw/zinc/19/21/51/1384192151.db2.gz NBZBTMQVVUIZFJ-YJBOKZPZSA-N 1 2 348.512 3.088 10 30 EGEELO C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC001309676992 1384192152 /nfs/dbraw/zinc/19/21/52/1384192152.db2.gz NBZBTMQVVUIZFJ-YJBOKZPZSA-N 1 2 348.512 3.088 10 30 EGEELO N#Cc1cccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC001170527617 1384336241 /nfs/dbraw/zinc/33/62/41/1384336241.db2.gz MBRRPMYBRXOHSL-OALUTQOASA-N 1 2 342.826 3.319 10 30 EGEELO N#Cc1cccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC001170527617 1384336243 /nfs/dbraw/zinc/33/62/43/1384336243.db2.gz MBRRPMYBRXOHSL-OALUTQOASA-N 1 2 342.826 3.319 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccc(OCC)n1 ZINC001316601392 1384468569 /nfs/dbraw/zinc/46/85/69/1384468569.db2.gz PIEDXNSFTBTUQC-KRWDZBQOSA-N 1 2 345.487 3.115 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(OCC)n1 ZINC001316601392 1384468571 /nfs/dbraw/zinc/46/85/71/1384468571.db2.gz PIEDXNSFTBTUQC-KRWDZBQOSA-N 1 2 345.487 3.115 10 30 EGEELO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001316941427 1384713411 /nfs/dbraw/zinc/71/34/11/1384713411.db2.gz QYBXATQMYCXMNT-MRXNPFEDSA-N 1 2 339.439 3.102 10 30 EGEELO C#CCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001316941427 1384713412 /nfs/dbraw/zinc/71/34/12/1384713412.db2.gz QYBXATQMYCXMNT-MRXNPFEDSA-N 1 2 339.439 3.102 10 30 EGEELO C#CCC1(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ncc(C)o3)C2)CCCCC1 ZINC001316994563 1384750364 /nfs/dbraw/zinc/75/03/64/1384750364.db2.gz NEGDOUREIJVSLC-SJORKVTESA-N 1 2 343.471 3.208 10 30 EGEELO C#CCC1(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ncc(C)o3)C2)CCCCC1 ZINC001316994563 1384750367 /nfs/dbraw/zinc/75/03/67/1384750367.db2.gz NEGDOUREIJVSLC-SJORKVTESA-N 1 2 343.471 3.208 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H]1CC12CC[NH+]([C@H](C)c1noc(C)n1)CC2 ZINC001317000889 1384758567 /nfs/dbraw/zinc/75/85/67/1384758567.db2.gz FGXRGQIDTJBGLN-HIFRSBDPSA-N 1 2 346.475 3.012 10 30 EGEELO C#CCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC001317131674 1384890708 /nfs/dbraw/zinc/89/07/08/1384890708.db2.gz RUPHZMWGJFCJMI-INIZCTEOSA-N 1 2 345.487 3.104 10 30 EGEELO C#CCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC001317131674 1384890711 /nfs/dbraw/zinc/89/07/11/1384890711.db2.gz RUPHZMWGJFCJMI-INIZCTEOSA-N 1 2 345.487 3.104 10 30 EGEELO CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001317167271 1384931593 /nfs/dbraw/zinc/93/15/93/1384931593.db2.gz QQXLKFSQVRMETR-SFHVURJKSA-N 1 2 331.435 3.358 10 30 EGEELO CCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001317167271 1384931595 /nfs/dbraw/zinc/93/15/95/1384931595.db2.gz QQXLKFSQVRMETR-SFHVURJKSA-N 1 2 331.435 3.358 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)COC/C=C\c1ccccc1 ZINC001317503591 1385207722 /nfs/dbraw/zinc/20/77/22/1385207722.db2.gz PUNPBURQLDAWRC-KKMIYCERSA-N 1 2 348.874 3.050 10 30 EGEELO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)COC/C=C\c1ccccc1 ZINC001317503591 1385207727 /nfs/dbraw/zinc/20/77/27/1385207727.db2.gz PUNPBURQLDAWRC-KKMIYCERSA-N 1 2 348.874 3.050 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)C1 ZINC001317509628 1385218614 /nfs/dbraw/zinc/21/86/14/1385218614.db2.gz ONWREORTLISDCI-GOSISDBHSA-N 1 2 341.430 3.134 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)C1 ZINC001317509628 1385218617 /nfs/dbraw/zinc/21/86/17/1385218617.db2.gz ONWREORTLISDCI-GOSISDBHSA-N 1 2 341.430 3.134 10 30 EGEELO C=C(C)[C@H](CC(=O)NC[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C1)OCC ZINC001317519417 1385237404 /nfs/dbraw/zinc/23/74/04/1385237404.db2.gz CKMZWNNAZGFVDY-DIPPSJHCSA-N 1 2 349.302 3.115 10 30 EGEELO C=C(C)[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1)OCC ZINC001317519417 1385237407 /nfs/dbraw/zinc/23/74/07/1385237407.db2.gz CKMZWNNAZGFVDY-DIPPSJHCSA-N 1 2 349.302 3.115 10 30 EGEELO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)[C@@H]2CC=CCC2)C2CC2)c1 ZINC001317547719 1385299563 /nfs/dbraw/zinc/29/95/63/1385299563.db2.gz LXKKAERBAZAAGM-MRXNPFEDSA-N 1 2 341.430 3.134 10 30 EGEELO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)[C@@H]2CC=CCC2)C2CC2)c1 ZINC001317547719 1385299568 /nfs/dbraw/zinc/29/95/68/1385299568.db2.gz LXKKAERBAZAAGM-MRXNPFEDSA-N 1 2 341.430 3.134 10 30 EGEELO C=C(C)CCC(=O)NC[C@H]([NH2+][C@@H](C)c1cnccn1)c1ccccc1 ZINC001317718915 1385420327 /nfs/dbraw/zinc/42/03/27/1385420327.db2.gz RGQYEGAPKWENBC-LPHOPBHVSA-N 1 2 338.455 3.341 10 30 EGEELO C#CCCCCC(=O)N(CCC)[C@@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001317755358 1385445659 /nfs/dbraw/zinc/44/56/59/1385445659.db2.gz SVFBRNZXUKZRSV-ZWKOTPCHSA-N 1 2 342.487 3.044 10 30 EGEELO C#CCCCCC(=O)N(CCC)[C@@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001317755358 1385445662 /nfs/dbraw/zinc/44/56/62/1385445662.db2.gz SVFBRNZXUKZRSV-ZWKOTPCHSA-N 1 2 342.487 3.044 10 30 EGEELO C=CC(C)(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC001317788702 1385481865 /nfs/dbraw/zinc/48/18/65/1385481865.db2.gz KFNDHWNAGYAQAG-UONOGXRCSA-N 1 2 336.505 3.030 10 30 EGEELO C=CC(C)(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H](C)c2csnn2)C1 ZINC001317788702 1385481868 /nfs/dbraw/zinc/48/18/68/1385481868.db2.gz KFNDHWNAGYAQAG-UONOGXRCSA-N 1 2 336.505 3.030 10 30 EGEELO N#Cc1ccc(C[NH+]2CC(CNC(=O)CC3CCCCC3)C2)cc1F ZINC001318101663 1385625668 /nfs/dbraw/zinc/62/56/68/1385625668.db2.gz XADUZRBOQVMKPS-UHFFFAOYSA-N 1 2 343.446 3.216 10 30 EGEELO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(OCCCC)cc2)C1 ZINC001318302102 1385646367 /nfs/dbraw/zinc/64/63/67/1385646367.db2.gz JDBQCHVXPKQIRT-INIZCTEOSA-N 1 2 336.863 3.422 10 30 EGEELO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OCCCC)cc2)C1 ZINC001318302102 1385646370 /nfs/dbraw/zinc/64/63/70/1385646370.db2.gz JDBQCHVXPKQIRT-INIZCTEOSA-N 1 2 336.863 3.422 10 30 EGEELO CC(C)C#CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC001318401854 1385673563 /nfs/dbraw/zinc/67/35/63/1385673563.db2.gz GPLWUUHMPPSMPZ-HOCLYGCPSA-N 1 2 334.410 3.218 10 30 EGEELO CC(C)C#CC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC001318401854 1385673567 /nfs/dbraw/zinc/67/35/67/1385673567.db2.gz GPLWUUHMPPSMPZ-HOCLYGCPSA-N 1 2 334.410 3.218 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001318430099 1385685052 /nfs/dbraw/zinc/68/50/52/1385685052.db2.gz WBYJIDUXNQQNST-QAPCUYQASA-N 1 2 335.517 3.395 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001318430099 1385685057 /nfs/dbraw/zinc/68/50/57/1385685057.db2.gz WBYJIDUXNQQNST-QAPCUYQASA-N 1 2 335.517 3.395 10 30 EGEELO CCN(C(=O)[C@H](C)C#N)[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001318457277 1385702018 /nfs/dbraw/zinc/70/20/18/1385702018.db2.gz HINNFBPQHCZKIU-IUODEOHRSA-N 1 2 337.826 3.062 10 30 EGEELO CCN(C(=O)[C@H](C)C#N)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001318457277 1385702024 /nfs/dbraw/zinc/70/20/24/1385702024.db2.gz HINNFBPQHCZKIU-IUODEOHRSA-N 1 2 337.826 3.062 10 30 EGEELO C=CC(C)(C)CC(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC001318991699 1385914837 /nfs/dbraw/zinc/91/48/37/1385914837.db2.gz ZAZHHOWQKIJPIF-UHFFFAOYSA-N 1 2 327.428 3.183 10 30 EGEELO C=C[C@H](CC)CC(=O)NCC1([NH2+][C@H](C)c2noc(C)n2)CCCC1 ZINC001319372973 1386087059 /nfs/dbraw/zinc/08/70/59/1386087059.db2.gz TXEZXTIDMKGZPA-UKRRQHHQSA-N 1 2 334.464 3.060 10 30 EGEELO CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001320067067 1386485483 /nfs/dbraw/zinc/48/54/83/1386485483.db2.gz NXLXKKRRYWLGKY-FXAWDEMLSA-N 1 2 345.462 3.270 10 30 EGEELO CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001320067067 1386485488 /nfs/dbraw/zinc/48/54/88/1386485488.db2.gz NXLXKKRRYWLGKY-FXAWDEMLSA-N 1 2 345.462 3.270 10 30 EGEELO C=C1CCC(C(=O)N(CC)CC[NH2+]Cc2nc3c(o2)CCCC3)CC1 ZINC001320829143 1386730358 /nfs/dbraw/zinc/73/03/58/1386730358.db2.gz DENQTZCPBJMDFC-UHFFFAOYSA-N 1 2 345.487 3.238 10 30 EGEELO C=CCC1(C(=O)N[C@H](C)C[NH2+][C@H](C)c2nc(C(C)C)no2)CCCC1 ZINC001321768343 1386980012 /nfs/dbraw/zinc/98/00/12/1386980012.db2.gz NLBIRRINHLBQCM-HUUCEWRRSA-N 1 2 348.491 3.485 10 30 EGEELO Cc1cc(C(=O)N[C@H](C)C[N@H+](C)Cc2cc(F)ccc2C#N)oc1C ZINC001322142712 1387072260 /nfs/dbraw/zinc/07/22/60/1387072260.db2.gz BRVSACLYCLDYKF-CYBMUJFWSA-N 1 2 343.402 3.158 10 30 EGEELO Cc1cc(C(=O)N[C@H](C)C[N@@H+](C)Cc2cc(F)ccc2C#N)oc1C ZINC001322142712 1387072263 /nfs/dbraw/zinc/07/22/63/1387072263.db2.gz BRVSACLYCLDYKF-CYBMUJFWSA-N 1 2 343.402 3.158 10 30 EGEELO C=C[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1nc(C)cs1)c1ccccc1 ZINC001322307261 1387152109 /nfs/dbraw/zinc/15/21/09/1387152109.db2.gz PPBLHULNEXTMNI-RHSMWYFYSA-N 1 2 343.496 3.358 10 30 EGEELO C=C[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1nc(C)cs1)c1ccccc1 ZINC001322307261 1387152114 /nfs/dbraw/zinc/15/21/14/1387152114.db2.gz PPBLHULNEXTMNI-RHSMWYFYSA-N 1 2 343.496 3.358 10 30 EGEELO C#C[C@H]([NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1F ZINC001336831984 1389179125 /nfs/dbraw/zinc/17/91/25/1389179125.db2.gz UOQRCBJCBDVDQR-AYOQOUSVSA-N 1 2 347.817 3.228 10 30 EGEELO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001329622775 1389187876 /nfs/dbraw/zinc/18/78/76/1389187876.db2.gz GJAZAMAKMCPJCX-UKRRQHHQSA-N 1 2 338.879 3.378 10 30 EGEELO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001329622775 1389187879 /nfs/dbraw/zinc/18/78/79/1389187879.db2.gz GJAZAMAKMCPJCX-UKRRQHHQSA-N 1 2 338.879 3.378 10 30 EGEELO C[C@@H](C#N)C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC001329909810 1389254815 /nfs/dbraw/zinc/25/48/15/1389254815.db2.gz VUFPEBVATLPMKQ-BBRMVZONSA-N 1 2 346.500 3.041 10 30 EGEELO C[C@@H](C#N)C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1csc(C2CC2)n1 ZINC001329909810 1389254817 /nfs/dbraw/zinc/25/48/17/1389254817.db2.gz VUFPEBVATLPMKQ-BBRMVZONSA-N 1 2 346.500 3.041 10 30 EGEELO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001330045712 1389292835 /nfs/dbraw/zinc/29/28/35/1389292835.db2.gz DIJZLSMOZRPZBX-GJZGRUSLSA-N 1 2 342.911 3.303 10 30 EGEELO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@](C)(CC)CCCCCC)C2)C1 ZINC001330171944 1389325697 /nfs/dbraw/zinc/32/56/97/1389325697.db2.gz YLEVXJZRGSFIPT-LEWJYISDSA-N 1 2 348.531 3.310 10 30 EGEELO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@](C)(CC)CCCCCC)C2)C1 ZINC001330171944 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348.491 3.050 10 30 EGEELO C=C1CC(C)(C(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c2nc(CCCC)no2)C1 ZINC001482329480 1394899273 /nfs/dbraw/zinc/89/92/73/1394899273.db2.gz LFBLSPUSDBMKNH-CABCVRRESA-N 1 2 348.491 3.266 10 30 EGEELO C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1noc(C(C)(C)C)n1 ZINC001482486687 1395039507 /nfs/dbraw/zinc/03/95/07/1395039507.db2.gz WKFOBEZCOKJBKI-CABCVRRESA-N 1 2 348.491 3.050 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001483865564 1395120075 /nfs/dbraw/zinc/12/00/75/1395120075.db2.gz ZBJWTKSFFUZUCI-GFCCVEGCSA-N 1 2 333.303 3.315 10 30 EGEELO C=CC(C)(C)C(=O)N(C)C1C[NH+](Cc2cccc(OC(C)C)c2)C1 ZINC001483873930 1395123525 /nfs/dbraw/zinc/12/35/25/1395123525.db2.gz ARANXQYCOOLUPV-UHFFFAOYSA-N 1 2 330.472 3.329 10 30 EGEELO C=C[C@H](CC)CC(=O)N(C)C1C[NH+](C[C@H](OC)c2ccccc2)C1 ZINC001483878165 1395125223 /nfs/dbraw/zinc/12/52/23/1395125223.db2.gz NZWZTOWUFLORBZ-APWZRJJASA-N 1 2 330.472 3.119 10 30 EGEELO C=CCCC(=O)N[C@]1(C)CC[N@H+](Cc2cc(-c3cccs3)on2)C1 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C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)/C=C(\C)CC ZINC001731539551 1427542378 /nfs/dbraw/zinc/54/23/78/1427542378.db2.gz YXKCRTVFGZGUQV-BRADTZPFSA-N 1 2 329.282 3.222 10 30 EGEELO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C(\C)CC ZINC001731539551 1427542382 /nfs/dbraw/zinc/54/23/82/1427542382.db2.gz YXKCRTVFGZGUQV-BRADTZPFSA-N 1 2 329.282 3.222 10 30 EGEELO O=C(C#CC1CC1)NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1Cl ZINC001731539622 1427543171 /nfs/dbraw/zinc/54/31/71/1427543171.db2.gz ZKTJNZMEMSFJKV-QGZVFWFLSA-N 1 2 348.849 3.363 10 30 EGEELO O=C(C#CC1CC1)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC001731539622 1427543179 /nfs/dbraw/zinc/54/31/79/1427543179.db2.gz ZKTJNZMEMSFJKV-QGZVFWFLSA-N 1 2 348.849 3.363 10 30 EGEELO C[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1C#N)[C@@H](C)C(C)(C)C ZINC001731790439 1427931126 /nfs/dbraw/zinc/93/11/26/1427931126.db2.gz KDVIBLMOUGBZOV-HZPDHXFCSA-N 1 2 329.488 3.425 10 30 EGEELO C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1C#N)[C@@H](C)C(C)(C)C ZINC001731790439 1427931128 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1438082581 /nfs/dbraw/zinc/08/25/81/1438082581.db2.gz URZNHNHKIAIMPQ-GDBMZVCRSA-N 1 2 346.475 3.163 10 30 EGEELO C=C1CC(C)(C(=O)N[C@H](C)C2CC[NH+]([C@H](C)c3csnn3)CC2)C1 ZINC001734580138 1438172446 /nfs/dbraw/zinc/17/24/46/1438172446.db2.gz PTQNMYUMRMVRFP-ZIAGYGMSSA-N 1 2 348.516 3.172 10 30 EGEELO C=C(Br)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](F)C(C)C ZINC001750933021 1440113890 /nfs/dbraw/zinc/11/38/90/1440113890.db2.gz XOHNALCEGXTRLX-KBPBESRZSA-N 1 2 349.288 3.202 10 30 EGEELO C=C(Br)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](F)C(C)C ZINC001750933021 1440113891 /nfs/dbraw/zinc/11/38/91/1440113891.db2.gz XOHNALCEGXTRLX-KBPBESRZSA-N 1 2 349.288 3.202 10 30 EGEELO N#Cc1cc(Cl)cc(Br)c1N1CCn2c[nH+]cc2C1 ZINC000357587740 283093500 /nfs/dbraw/zinc/09/35/00/283093500.db2.gz VEYVXGZQBZCQRK-UHFFFAOYSA-N 1 2 337.608 3.191 10 30 EGEELO N#Cc1csc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000093385931 218220812 /nfs/dbraw/zinc/22/08/12/218220812.db2.gz XJMWMVHDHHKZMK-UHFFFAOYSA-N 1 2 331.466 3.029 10 30 EGEELO 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N#Cc1ccsc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189419287 268302652 /nfs/dbraw/zinc/30/26/52/268302652.db2.gz TUKRKDAALNJBMZ-UHFFFAOYSA-N 1 2 345.855 3.061 10 30 EGEELO N#Cc1ccsc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189419287 268302655 /nfs/dbraw/zinc/30/26/55/268302655.db2.gz TUKRKDAALNJBMZ-UHFFFAOYSA-N 1 2 345.855 3.061 10 30 EGEELO N#Cc1ncc(C(F)(F)F)cc1NCc1[nH+]ccn1CC(F)(F)F ZINC000413119544 268321977 /nfs/dbraw/zinc/32/19/77/268321977.db2.gz ORGJRLKGMHNCLH-UHFFFAOYSA-N 1 2 349.238 3.343 10 30 EGEELO Cc1ccc(C2CCN(c3nc4c(cc3C#N)COCC4)CC2)c[nH+]1 ZINC000560208649 315667471 /nfs/dbraw/zinc/66/74/71/315667471.db2.gz CQYPUJYDZNPXCD-UHFFFAOYSA-N 1 2 334.423 3.113 10 30 EGEELO N#Cc1c(NC2CCN(c3cccc[nH+]3)CC2)cccc1-n1cccn1 ZINC000563421191 316019323 /nfs/dbraw/zinc/01/93/23/316019323.db2.gz QLXMROOMOHMPKZ-UHFFFAOYSA-N 1 2 344.422 3.220 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CCc3cccc(Br)c3C2)nc1 ZINC000565158087 316276937 /nfs/dbraw/zinc/27/69/37/316276937.db2.gz QOIACLMUWOEABI-UHFFFAOYSA-N 1 2 328.213 3.274 10 30 EGEELO N#Cc1ccc(C[N@H+]2CCc3cccc(Br)c3C2)nc1 ZINC000565158087 316276938 /nfs/dbraw/zinc/27/69/38/316276938.db2.gz QOIACLMUWOEABI-UHFFFAOYSA-N 1 2 328.213 3.274 10 30 EGEELO N#CC1(C[C@@H](O)CNc2ccc3c(c2)[nH+]cn3-c2ccccc2)CC1 ZINC000600743216 460587756 /nfs/dbraw/zinc/58/77/56/460587756.db2.gz QWDFGBVMSGIJGA-QGZVFWFLSA-N 1 2 332.407 3.492 10 30 EGEELO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)n1 ZINC000184264253 455367224 /nfs/dbraw/zinc/36/72/24/455367224.db2.gz MXUMYQXYBOMVQH-SNVBAGLBSA-N 1 2 334.470 3.291 10 30 EGEELO N#CC1(NC(=O)CSc2[nH+]cc3ccccn32)CCCCCC1 ZINC000042697054 454021008 /nfs/dbraw/zinc/02/10/08/454021008.db2.gz FPFDMJCONQAAQG-UHFFFAOYSA-N 1 2 328.441 3.159 10 30 EGEELO NC(=[NH+]OC/C=C/c1ccccc1)c1ccnc(N2CCCCC2)c1 ZINC000058370944 454194852 /nfs/dbraw/zinc/19/48/52/454194852.db2.gz ZMYUQSFETVPSFA-JXMROGBWSA-N 1 2 336.439 3.422 10 30 EGEELO C[C@@H]([NH2+]Cc1nnc2n1CCC[C@@H]2C(F)(F)F)c1ccc(C#N)cc1 ZINC000089904754 454230901 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Cc1ccc(C[S@@](=O)Cc2[nH+]ccn2CC(F)(F)F)cc1C#N ZINC000600900889 460635331 /nfs/dbraw/zinc/63/53/31/460635331.db2.gz PMXIXUBEMHCTCK-HSZRJFAPSA-N 1 2 341.358 3.074 10 30 EGEELO C[C@H](c1cc(F)ccc1F)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000079481903 454422931 /nfs/dbraw/zinc/42/29/31/454422931.db2.gz PVTGXKIQZPMKDG-CYBMUJFWSA-N 1 2 328.366 3.115 10 30 EGEELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000074210157 454543945 /nfs/dbraw/zinc/54/39/45/454543945.db2.gz DEXZGXWYPUIXNY-HOTGVXAUSA-N 1 2 330.863 3.462 10 30 EGEELO CC1(C)CN(C(=O)c2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000104652440 454593158 /nfs/dbraw/zinc/59/31/58/454593158.db2.gz LQGGGECQXGNWHK-UHFFFAOYSA-N 1 2 339.464 3.356 10 30 EGEELO CC1(C)CN(C(=O)c2sccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000104652440 454593164 /nfs/dbraw/zinc/59/31/64/454593164.db2.gz LQGGGECQXGNWHK-UHFFFAOYSA-N 1 2 339.464 3.356 10 30 EGEELO C=C(C)CN(CC)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000074869032 454649270 /nfs/dbraw/zinc/64/92/70/454649270.db2.gz 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325.456 3.193 10 30 EGEELO C=CCCCC(=O)N[C@H](C)C1CC[NH+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001734578848 1438171364 /nfs/dbraw/zinc/17/13/64/1438171364.db2.gz LGXNUVIPYJCOEX-CABCVRRESA-N 1 2 347.507 3.001 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001735219879 1438423486 /nfs/dbraw/zinc/42/34/86/1438423486.db2.gz QENLVLDMJMYRLM-WBVHZDCISA-N 1 2 345.487 3.186 10 30 EGEELO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2csnn2)CC(C)(C)C1 ZINC001750944014 1440117340 /nfs/dbraw/zinc/11/73/40/1440117340.db2.gz IYOWOOXUQPXGSA-AWEZNQCLSA-N 1 2 336.505 3.001 10 30 EGEELO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2csnn2)CC(C)(C)C1 ZINC001750944014 1440117342 /nfs/dbraw/zinc/11/73/42/1440117342.db2.gz IYOWOOXUQPXGSA-AWEZNQCLSA-N 1 2 336.505 3.001 10 30 EGEELO C=CCCC(=O)N[C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001759408517 1441279986 /nfs/dbraw/zinc/27/99/86/1441279986.db2.gz AFCZWSDKRZKGQP-QAQDUYKDSA-N 1 2 343.471 3.130 10 30 EGEELO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC2CCCCC2)CC1 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N#Cc1ccc(CN2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)o1 ZINC000119387162 152202379 /nfs/dbraw/zinc/20/23/79/152202379.db2.gz NKGYGPUZBQIBNN-UHFFFAOYSA-N 1 2 349.356 3.488 10 30 EGEELO C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000337030268 163109814 /nfs/dbraw/zinc/10/98/14/163109814.db2.gz XWRLQQCXTMJRLG-FZMZJTMJSA-N 1 2 335.333 3.256 10 30 EGEELO N#Cc1cc(NCc2ccc(N3CCCC3)[nH+]c2)nc2ccccc12 ZINC000346421924 164384423 /nfs/dbraw/zinc/38/44/23/164384423.db2.gz WKSRRHKRFALCRB-UHFFFAOYSA-N 1 2 329.407 3.136 10 30 EGEELO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)cc1OC ZINC000356069930 166391411 /nfs/dbraw/zinc/39/14/11/166391411.db2.gz XDZTVSLLNINTFA-CQSZACIVSA-N 1 2 329.425 3.369 10 30 EGEELO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(C#N)cs2)cc1OC ZINC000356069930 166391414 /nfs/dbraw/zinc/39/14/14/166391414.db2.gz XDZTVSLLNINTFA-CQSZACIVSA-N 1 2 329.425 3.369 10 30 EGEELO Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367129724 168182424 /nfs/dbraw/zinc/18/24/24/168182424.db2.gz 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ZINC000450225851 267064563 /nfs/dbraw/zinc/06/45/63/267064563.db2.gz HTKZPTBAJGAHQE-UHFFFAOYSA-N 1 2 325.372 3.190 10 30 EGEELO CC[N@@H+](CCCNc1ncc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000450225851 267064567 /nfs/dbraw/zinc/06/45/67/267064567.db2.gz HTKZPTBAJGAHQE-UHFFFAOYSA-N 1 2 325.372 3.190 10 30 EGEELO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000461371370 267233213 /nfs/dbraw/zinc/23/32/13/267233213.db2.gz CWRRLGADJPBHNY-IBGZPJMESA-N 1 2 348.450 3.098 10 30 EGEELO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000461371370 267233218 /nfs/dbraw/zinc/23/32/18/267233218.db2.gz CWRRLGADJPBHNY-IBGZPJMESA-N 1 2 348.450 3.098 10 30 EGEELO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000520408327 268222417 /nfs/dbraw/zinc/22/24/17/268222417.db2.gz AUSJIXHSVNKMIQ-OAHLLOKOSA-N 1 2 342.386 3.285 10 30 EGEELO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000520408327 268222418 /nfs/dbraw/zinc/22/24/18/268222418.db2.gz AUSJIXHSVNKMIQ-OAHLLOKOSA-N 1 2 342.386 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/nfs/dbraw/zinc/84/22/05/453842205.db2.gz INGPPXNJGVLINE-AWEZNQCLSA-N 1 2 342.468 3.194 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccn1C ZINC000084321867 453983609 /nfs/dbraw/zinc/98/36/09/453983609.db2.gz ZCCJAGSUINUJEG-UHFFFAOYSA-N 1 2 329.469 3.374 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1cccn1C ZINC000084321867 453983611 /nfs/dbraw/zinc/98/36/11/453983611.db2.gz ZCCJAGSUINUJEG-UHFFFAOYSA-N 1 2 329.469 3.374 10 30 EGEELO C=CCCC[N@@H+](C)Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000076735176 454031963 /nfs/dbraw/zinc/03/19/63/454031963.db2.gz DLQOFNUVEQVBTH-UHFFFAOYSA-N 1 2 334.420 3.328 10 30 EGEELO C=CCCC[N@H+](C)Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000076735176 454031966 /nfs/dbraw/zinc/03/19/66/454031966.db2.gz DLQOFNUVEQVBTH-UHFFFAOYSA-N 1 2 334.420 3.328 10 30 EGEELO CC(C)Oc1ccccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000069172755 454084474 /nfs/dbraw/zinc/08/44/74/454084474.db2.gz SIESTXRPDGZJME-UHFFFAOYSA-N 1 2 336.439 3.063 10 30 EGEELO C[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 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O=C(NCc1ccc2ccccc2n1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329239133 456858818 /nfs/dbraw/zinc/85/88/18/456858818.db2.gz LSFNSHPNLZPUCN-LJQANCHMSA-N 1 2 339.439 3.335 10 30 EGEELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cn3ccnc3s1)C2 ZINC000329857787 456951812 /nfs/dbraw/zinc/95/18/12/456951812.db2.gz ZNMDWCMUEXBICR-LLVKDONJSA-N 1 2 343.456 3.209 10 30 EGEELO O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330008526 456973685 /nfs/dbraw/zinc/97/36/85/456973685.db2.gz FMMMIMNIVRQYOJ-BRWVUGGUSA-N 1 2 340.427 3.033 10 30 EGEELO O=C(NC[C@@H]1CCCCC(F)(F)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330202282 457001055 /nfs/dbraw/zinc/00/10/55/457001055.db2.gz ZCEFYYARAPXBMK-HUUCEWRRSA-N 1 2 340.418 3.477 10 30 EGEELO [O-]C(=[NH+]C[C@@H]1CCCCC(F)(F)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330202282 457001062 /nfs/dbraw/zinc/00/10/62/457001062.db2.gz ZCEFYYARAPXBMK-HUUCEWRRSA-N 1 2 340.418 3.477 10 30 EGEELO CC[C@@H]1CCCC[C@H]1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330523159 457053449 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N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](O)c4ccccc4C3)o2)cc1 ZINC000374804658 457709731 /nfs/dbraw/zinc/70/97/31/457709731.db2.gz CNGNSZAUURLZIT-GOSISDBHSA-N 1 2 346.390 3.048 10 30 EGEELO N#C[C@H](CCc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000433114018 457759740 /nfs/dbraw/zinc/75/97/40/457759740.db2.gz DYFSNGDMYODHOS-NRFANRHFSA-N 1 2 347.462 3.103 10 30 EGEELO C[C@@H](C#N)N(C)C(=O)[C@@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000410884487 457766214 /nfs/dbraw/zinc/76/62/14/457766214.db2.gz RMONRJAXLPQIOB-BLLLJJGKSA-N 1 2 337.826 3.377 10 30 EGEELO CC(C)CC[N@H+](CCC#N)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000444234956 457869935 /nfs/dbraw/zinc/86/99/35/457869935.db2.gz WVJJYMUQZZFYGK-LJQANCHMSA-N 1 2 327.472 3.442 10 30 EGEELO CC(C)CC[N@@H+](CCC#N)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000444234956 457869943 /nfs/dbraw/zinc/86/99/43/457869943.db2.gz WVJJYMUQZZFYGK-LJQANCHMSA-N 1 2 327.472 3.442 10 30 EGEELO CC[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000367678490 457970201 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3.178 10 30 EGEELO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1F ZINC001689508336 1403834773 /nfs/dbraw/zinc/83/47/73/1403834773.db2.gz AGAZBQCAQCLTLR-HXUWFJFHSA-N 1 2 336.410 3.178 10 30 EGEELO C=C1CCC(C(=O)NCCC[N@H+](Cc2cscn2)C2CC2)CC1 ZINC001690004346 1404250109 /nfs/dbraw/zinc/25/01/09/1404250109.db2.gz PNJDWPHUVXWKDO-UHFFFAOYSA-N 1 2 333.501 3.360 10 30 EGEELO C=C1CCC(C(=O)NCCC[N@@H+](Cc2cscn2)C2CC2)CC1 ZINC001690004346 1404250115 /nfs/dbraw/zinc/25/01/15/1404250115.db2.gz PNJDWPHUVXWKDO-UHFFFAOYSA-N 1 2 333.501 3.360 10 30 EGEELO CCC(=CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)CC ZINC001690087548 1404292621 /nfs/dbraw/zinc/29/26/21/1404292621.db2.gz BLEUQUFJPITIOV-QGZVFWFLSA-N 1 2 329.419 3.134 10 30 EGEELO CCC(=CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)CC ZINC001690087548 1404292622 /nfs/dbraw/zinc/29/26/22/1404292622.db2.gz BLEUQUFJPITIOV-QGZVFWFLSA-N 1 2 329.419 3.134 10 30 EGEELO CC(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC001690090732 1404294094 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344.886 3.484 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@H]1CC12CC[NH+]([C@H](C)c1csnn1)CC2 ZINC001690123334 1404316929 /nfs/dbraw/zinc/31/69/29/1404316929.db2.gz NRMNWTZDFGBOMN-HIFRSBDPSA-N 1 2 348.516 3.172 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC001690388411 1404524938 /nfs/dbraw/zinc/52/49/38/1404524938.db2.gz JHUPXXXEXMXISS-DNVCBOLYSA-N 1 2 348.491 3.124 10 30 EGEELO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC001690388411 1404524939 /nfs/dbraw/zinc/52/49/39/1404524939.db2.gz JHUPXXXEXMXISS-DNVCBOLYSA-N 1 2 348.491 3.124 10 30 EGEELO C=CCC1(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H](C)c3nc(C)no3)C2)CCC1 ZINC001690818446 1404753238 /nfs/dbraw/zinc/75/32/38/1404753238.db2.gz HHDWGOHGGFKVBT-GOEBONIOSA-N 1 2 346.475 3.108 10 30 EGEELO C=CCC1(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](C)c3nc(C)no3)C2)CCC1 ZINC001690818446 1404753240 /nfs/dbraw/zinc/75/32/40/1404753240.db2.gz HHDWGOHGGFKVBT-GOEBONIOSA-N 1 2 346.475 3.108 10 30 EGEELO C=C(C)CCC(=O)NCC[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC001690945538 1404853869 /nfs/dbraw/zinc/85/38/69/1404853869.db2.gz ZSFXSQBICGTRSZ-UHFFFAOYSA-N 1 2 333.457 3.307 10 30 EGEELO C=C(C)CCC(=O)NCC[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC001690945538 1404853873 /nfs/dbraw/zinc/85/38/73/1404853873.db2.gz ZSFXSQBICGTRSZ-UHFFFAOYSA-N 1 2 333.457 3.307 10 30 EGEELO C=C/C(C)=C/CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001691053231 1404972422 /nfs/dbraw/zinc/97/24/22/1404972422.db2.gz MFDOARFCUWTQNE-IQXODGKNSA-N 1 2 341.430 3.252 10 30 EGEELO C=C/C(C)=C/CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001691053231 1404972430 /nfs/dbraw/zinc/97/24/30/1404972430.db2.gz MFDOARFCUWTQNE-IQXODGKNSA-N 1 2 341.430 3.252 10 30 EGEELO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001691055508 1404975480 /nfs/dbraw/zinc/97/54/80/1404975480.db2.gz NUCRAKYWWABQNN-GJZGRUSLSA-N 1 2 331.485 3.255 10 30 EGEELO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001691055508 1404975481 /nfs/dbraw/zinc/97/54/81/1404975481.db2.gz NUCRAKYWWABQNN-GJZGRUSLSA-N 1 2 331.485 3.255 10 30 EGEELO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cc(F)cc(F)c2)C1 ZINC001691058004 1404978927 /nfs/dbraw/zinc/97/89/27/1404978927.db2.gz GONYQPDDWCBZHR-QGZVFWFLSA-N 1 2 334.410 3.354 10 30 EGEELO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cc(F)cc(F)c2)C1 ZINC001691058004 1404978929 /nfs/dbraw/zinc/97/89/29/1404978929.db2.gz GONYQPDDWCBZHR-QGZVFWFLSA-N 1 2 334.410 3.354 10 30 EGEELO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnc(Cl)s1 ZINC001691082879 1405017554 /nfs/dbraw/zinc/01/75/54/1405017554.db2.gz OGAGAVJBGOPQCN-LBPRGKRZSA-N 1 2 327.881 3.233 10 30 EGEELO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cnc(Cl)s1 ZINC001691082879 1405017561 /nfs/dbraw/zinc/01/75/61/1405017561.db2.gz OGAGAVJBGOPQCN-LBPRGKRZSA-N 1 2 327.881 3.233 10 30 EGEELO CC#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C(CC)(CC)CC)C2 ZINC001691809176 1405521619 /nfs/dbraw/zinc/52/16/19/1405521619.db2.gz KDDJMXJTPDSFHC-UHFFFAOYSA-N 1 2 347.528 3.357 10 30 EGEELO CCCN(C(=O)[C@H]1C[C@@H]1C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001691860451 1405577867 /nfs/dbraw/zinc/57/78/67/1405577867.db2.gz HAZCFQWUASLVPC-KYNGSXCRSA-N 1 2 343.446 3.166 10 30 EGEELO CCCN(C(=O)[C@H]1C[C@@H]1C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001691860451 1405577868 /nfs/dbraw/zinc/57/78/68/1405577868.db2.gz HAZCFQWUASLVPC-KYNGSXCRSA-N 1 2 343.446 3.166 10 30 EGEELO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](Cc2nnc(C3CC3)o2)[C@@H]1CC ZINC001692007212 1405725482 /nfs/dbraw/zinc/72/54/82/1405725482.db2.gz IZDYGWKJVZXZDM-QMTMVMCOSA-N 1 2 346.475 3.018 10 30 EGEELO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2nnc(C3CC3)o2)[C@@H]1CC ZINC001692007212 1405725484 /nfs/dbraw/zinc/72/54/84/1405725484.db2.gz IZDYGWKJVZXZDM-QMTMVMCOSA-N 1 2 346.475 3.018 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cnc(Cl)s2)[C@@H]1CC ZINC001692199738 1405839113 /nfs/dbraw/zinc/83/91/13/1405839113.db2.gz REPHEOBLZPNMPI-QWHCGFSZSA-N 1 2 341.908 3.478 10 30 EGEELO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cnc(Cl)s2)[C@@H]1CC ZINC001692199738 1405839118 /nfs/dbraw/zinc/83/91/18/1405839118.db2.gz REPHEOBLZPNMPI-QWHCGFSZSA-N 1 2 341.908 3.478 10 30 EGEELO CCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001698580585 1406192361 /nfs/dbraw/zinc/19/23/61/1406192361.db2.gz DMCUATYGKUTWHW-KRWDZBQOSA-N 1 2 348.437 3.437 10 30 EGEELO CCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001698580585 1406192363 /nfs/dbraw/zinc/19/23/63/1406192363.db2.gz DMCUATYGKUTWHW-KRWDZBQOSA-N 1 2 348.437 3.437 10 30 EGEELO CCCN(C(=O)C#CC(C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001732036671 1428257940 /nfs/dbraw/zinc/25/79/40/1428257940.db2.gz HLFPJXRYNAZIGJ-IAGOWNOFSA-N 1 2 331.460 3.016 10 30 EGEELO CCCN(C(=O)C#CC(C)C)[C@@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001732036671 1428257945 /nfs/dbraw/zinc/25/79/45/1428257945.db2.gz HLFPJXRYNAZIGJ-IAGOWNOFSA-N 1 2 331.460 3.016 10 30 EGEELO CCCN(C(=O)[C@@H](C)C#N)[C@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001732036841 1428258035 /nfs/dbraw/zinc/25/80/35/1428258035.db2.gz XSRMBRJODWIEKM-ZFWWWQNUSA-N 1 2 349.862 3.018 10 30 EGEELO CCCN(C(=O)[C@@H](C)C#N)[C@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001732036841 1428258038 /nfs/dbraw/zinc/25/80/38/1428258038.db2.gz XSRMBRJODWIEKM-ZFWWWQNUSA-N 1 2 349.862 3.018 10 30 EGEELO C#CCCCCC(=O)NC1C[NH+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001732096498 1428359969 /nfs/dbraw/zinc/35/99/69/1428359969.db2.gz GQJDQLZSPBFUAG-UHFFFAOYSA-N 1 2 326.484 3.478 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001732170683 1428414639 /nfs/dbraw/zinc/41/46/39/1428414639.db2.gz YYQLRKOVJPMKOM-HNNXBMFYSA-N 1 2 335.879 3.370 10 30 EGEELO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001732170683 1428414641 /nfs/dbraw/zinc/41/46/41/1428414641.db2.gz YYQLRKOVJPMKOM-HNNXBMFYSA-N 1 2 335.879 3.370 10 30 EGEELO CCC(CC)[C@@H](C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001699626531 1412993706 /nfs/dbraw/zinc/99/37/06/1412993706.db2.gz IILISUXKHUOZOX-RDTXWAMCSA-N 1 2 345.462 3.460 10 30 EGEELO CCC(CC)[C@@H](C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001699626531 1412993708 /nfs/dbraw/zinc/99/37/08/1412993708.db2.gz IILISUXKHUOZOX-RDTXWAMCSA-N 1 2 345.462 3.460 10 30 EGEELO CCc1ccccc1CC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001699629127 1412997539 /nfs/dbraw/zinc/99/75/39/1412997539.db2.gz SANREPQYTALFER-QFIPXVFZSA-N 1 2 346.474 3.034 10 30 EGEELO CCc1ccccc1CC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001699629127 1412997542 /nfs/dbraw/zinc/99/75/42/1412997542.db2.gz SANREPQYTALFER-QFIPXVFZSA-N 1 2 346.474 3.034 10 30 EGEELO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(OC)ccc1Cl ZINC001699630292 1412999847 /nfs/dbraw/zinc/99/98/47/1412999847.db2.gz LHKGIBBVTPLTDI-INIZCTEOSA-N 1 2 348.874 3.233 10 30 EGEELO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(OC)ccc1Cl ZINC001699630292 1412999849 /nfs/dbraw/zinc/99/98/49/1412999849.db2.gz LHKGIBBVTPLTDI-INIZCTEOSA-N 1 2 348.874 3.233 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C(C)C)n2)C1 ZINC001699633004 1413004434 /nfs/dbraw/zinc/00/44/34/1413004434.db2.gz IKNDGGQBPIXAKH-QGZVFWFLSA-N 1 2 327.472 3.252 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C(C)C)n2)C1 ZINC001699633004 1413004435 /nfs/dbraw/zinc/00/44/35/1413004435.db2.gz IKNDGGQBPIXAKH-QGZVFWFLSA-N 1 2 327.472 3.252 10 30 EGEELO C=C[C@](C)(CC)C(=O)NCC1([NH2+][C@@H](C)c2nc(C(C)C)no2)CC1 ZINC001699663766 1413048695 /nfs/dbraw/zinc/04/86/95/1413048695.db2.gz PGYQVOWRTCQULV-SUMWQHHRSA-N 1 2 334.464 3.095 10 30 EGEELO C=C[C@](C)(CC)C(=O)N(C)C1C[NH+](Cc2cccc3c2CCOC3)C1 ZINC001699719539 1413132061 /nfs/dbraw/zinc/13/20/61/1413132061.db2.gz JKQTZVFAIKPNAW-OAQYLSRUSA-N 1 2 342.483 3.004 10 30 EGEELO C#CCCCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001699869246 1413314265 /nfs/dbraw/zinc/31/42/65/1413314265.db2.gz DZIZABBTSUBFEF-FQEVSTJZSA-N 1 2 345.487 3.320 10 30 EGEELO C#CCCCC(=O)NC[C@]1(C)CCC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001699869246 1413314269 /nfs/dbraw/zinc/31/42/69/1413314269.db2.gz DZIZABBTSUBFEF-FQEVSTJZSA-N 1 2 345.487 3.320 10 30 EGEELO C=C[C@H](CC)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001700013729 1413457073 /nfs/dbraw/zinc/45/70/73/1413457073.db2.gz RJGPFAZZRVBMKR-DJIMGWMZSA-N 1 2 333.501 3.311 10 30 EGEELO C=C[C@H](CC)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001700013729 1413457078 /nfs/dbraw/zinc/45/70/78/1413457078.db2.gz RJGPFAZZRVBMKR-DJIMGWMZSA-N 1 2 333.501 3.311 10 30 EGEELO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCc1ccc(C)cc1 ZINC001700226963 1413680962 /nfs/dbraw/zinc/68/09/62/1413680962.db2.gz LWBJIVCOYCHOGC-JOCHJYFZSA-N 1 2 346.474 3.104 10 30 EGEELO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCc1ccc(C)cc1 ZINC001700226963 1413680964 /nfs/dbraw/zinc/68/09/64/1413680964.db2.gz LWBJIVCOYCHOGC-JOCHJYFZSA-N 1 2 346.474 3.104 10 30 EGEELO C=CCC1(C(=O)N2C[C@H]([NH2+]Cc3cnsn3)[C@@H](C)C2)CCCCC1 ZINC001700275679 1413720638 /nfs/dbraw/zinc/72/06/38/1413720638.db2.gz DQADVSKNSGODGQ-HOCLYGCPSA-N 1 2 348.516 3.001 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)cn2)[C@@H](C)C1 ZINC001700314015 1413770368 /nfs/dbraw/zinc/77/03/68/1413770368.db2.gz OPJBCKHIIADETR-FUHWJXTLSA-N 1 2 342.487 3.023 10 30 EGEELO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)[C@@H](C)C1 ZINC001700314015 1413770369 /nfs/dbraw/zinc/77/03/69/1413770369.db2.gz OPJBCKHIIADETR-FUHWJXTLSA-N 1 2 342.487 3.023 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ncc(CC)o2)[C@H](C)C1 ZINC001700315612 1413774330 /nfs/dbraw/zinc/77/43/30/1413774330.db2.gz JQEGGJPMVSRMLF-HUUCEWRRSA-N 1 2 333.476 3.308 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ncc(CC)o2)[C@H](C)C1 ZINC001700315612 1413774334 /nfs/dbraw/zinc/77/43/34/1413774334.db2.gz JQEGGJPMVSRMLF-HUUCEWRRSA-N 1 2 333.476 3.308 10 30 EGEELO C=C[C@@H](CC)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1csc(C)n1 ZINC001700358422 1413865832 /nfs/dbraw/zinc/86/58/32/1413865832.db2.gz WTLZMHSFIPMKEG-RDJZCZTQSA-N 1 2 335.517 3.477 10 30 EGEELO C=C[C@@H](CC)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC001700358422 1413865836 /nfs/dbraw/zinc/86/58/36/1413865836.db2.gz WTLZMHSFIPMKEG-RDJZCZTQSA-N 1 2 335.517 3.477 10 30 EGEELO C=C1CC(C)(C(=O)N[C@@H](CCCC)C[NH2+][C@H](C)c2nc(C)no2)C1 ZINC001700519793 1414174434 /nfs/dbraw/zinc/17/44/34/1414174434.db2.gz AITGQVYFTJZWDI-HIFRSBDPSA-N 1 2 334.464 3.060 10 30 EGEELO C=C1CC(C)(C(=O)N[C@@H](CCCC)C[NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001700519795 1414174723 /nfs/dbraw/zinc/17/47/23/1414174723.db2.gz AITGQVYFTJZWDI-ZFWWWQNUSA-N 1 2 334.464 3.060 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2coc(C)n2)C1 ZINC001700527126 1414190052 /nfs/dbraw/zinc/19/00/52/1414190052.db2.gz QZHHZGULKBNSAJ-KRWDZBQOSA-N 1 2 331.460 3.200 10 30 EGEELO C=C1CC(C)(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2coc(C)n2)C1 ZINC001700527126 1414190055 /nfs/dbraw/zinc/19/00/55/1414190055.db2.gz QZHHZGULKBNSAJ-KRWDZBQOSA-N 1 2 331.460 3.200 10 30 EGEELO C=C[C@@](C)(CC)C(=O)N[C@H](C)C1C[NH+](Cc2ccncc2Cl)C1 ZINC001700543107 1414210628 /nfs/dbraw/zinc/21/06/28/1414210628.db2.gz NTSNGPSKXHNNHO-ACJLOTCBSA-N 1 2 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325.437 3.372 10 30 EGEELO COc1cc(C#N)ccc1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000179658932 533496737 /nfs/dbraw/zinc/49/67/37/533496737.db2.gz LMOADYOTRWFYCJ-UHFFFAOYSA-N 1 2 348.406 3.030 10 30 EGEELO N#Cc1c(F)cccc1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000362305192 144360271 /nfs/dbraw/zinc/36/02/71/144360271.db2.gz KUIYZIABCVRNMK-UHFFFAOYSA-N 1 2 343.427 3.153 10 30 EGEELO Cc1csc([C@@H]2CCC[N@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000195327265 153397319 /nfs/dbraw/zinc/39/73/19/153397319.db2.gz NLMHHVLYAULVIP-CYBMUJFWSA-N 1 2 346.481 3.203 10 30 EGEELO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000195327265 153397324 /nfs/dbraw/zinc/39/73/24/153397324.db2.gz NLMHHVLYAULVIP-CYBMUJFWSA-N 1 2 346.481 3.203 10 30 EGEELO Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367129684 168182590 /nfs/dbraw/zinc/18/25/90/168182590.db2.gz WBNVJOGDGIKPMV-UXHICEINSA-N 1 2 340.398 3.113 10 30 EGEELO Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367129684 168182593 /nfs/dbraw/zinc/18/25/93/168182593.db2.gz WBNVJOGDGIKPMV-UXHICEINSA-N 1 2 340.398 3.113 10 30 EGEELO COc1ccccc1[C@@H](Nc1cc(C#N)cc(C)n1)c1[nH+]ccn1C ZINC000367519963 168236264 /nfs/dbraw/zinc/23/62/64/168236264.db2.gz SGZXAKXXPGEHLL-GOSISDBHSA-N 1 2 333.395 3.205 10 30 EGEELO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)c(C)c2)c2nccn2C)cc1 ZINC000443974821 267644257 /nfs/dbraw/zinc/64/42/57/267644257.db2.gz WNEJBCACKAWJOE-FQEVSTJZSA-N 1 2 346.434 3.488 10 30 EGEELO N#Cc1cccc(/C=C/c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278244499 268233643 /nfs/dbraw/zinc/23/36/43/268233643.db2.gz ZGNJDQZNQUAFIW-NXVGNOFTSA-N 1 2 336.395 3.037 10 30 EGEELO N#Cc1cccc(/C=C/c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000278244499 268233646 /nfs/dbraw/zinc/23/36/46/268233646.db2.gz ZGNJDQZNQUAFIW-NXVGNOFTSA-N 1 2 336.395 3.037 10 30 EGEELO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCCc3sc(Cl)cc32)C(N)=O)cc1 ZINC000427857154 268262164 /nfs/dbraw/zinc/26/21/64/268262164.db2.gz HSDSYCIKCIHZCR-CZUORRHYSA-N 1 2 345.855 3.467 10 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/nfs/dbraw/zinc/93/96/37/456939637.db2.gz IVDDJLRKTGWTII-UHFFFAOYSA-N 1 2 349.272 3.008 10 30 EGEELO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 ZINC000084116180 453970213 /nfs/dbraw/zinc/97/02/13/453970213.db2.gz WRTBTTXUEBHHSC-OAHLLOKOSA-N 1 2 336.420 3.067 10 30 EGEELO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000057753077 454145293 /nfs/dbraw/zinc/14/52/93/454145293.db2.gz SYHQHUBHKCHWOZ-CYBMUJFWSA-N 1 2 328.366 3.115 10 30 EGEELO N#Cc1ccc(SCCC(=O)Nc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000069815613 454148774 /nfs/dbraw/zinc/14/87/74/454148774.db2.gz VKQDLEAUZZUECE-UHFFFAOYSA-N 1 2 349.419 3.260 10 30 EGEELO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000071888699 454244488 /nfs/dbraw/zinc/24/44/88/454244488.db2.gz VBWQEEMMUKCDHC-ZHACJKMWSA-N 1 2 347.374 3.323 10 30 EGEELO COCCOc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000071914702 454255477 /nfs/dbraw/zinc/25/54/77/454255477.db2.gz HYISHDGZKHJPAK-VMPITWQZSA-N 1 2 347.374 3.127 10 30 EGEELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000131524447 454261624 /nfs/dbraw/zinc/26/16/24/454261624.db2.gz MXVJZJJXNPGNOK-OAHLLOKOSA-N 1 2 331.460 3.198 10 30 EGEELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000131524447 454261630 /nfs/dbraw/zinc/26/16/30/454261630.db2.gz MXVJZJJXNPGNOK-OAHLLOKOSA-N 1 2 331.460 3.198 10 30 EGEELO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)cc1 ZINC000092790111 454633241 /nfs/dbraw/zinc/63/32/41/454633241.db2.gz RIFLWCZMZIAQSF-QGZVFWFLSA-N 1 2 328.437 3.037 10 30 EGEELO C#CCOc1ccc(C[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)cc1 ZINC000092790111 454633248 /nfs/dbraw/zinc/63/32/48/454633248.db2.gz RIFLWCZMZIAQSF-QGZVFWFLSA-N 1 2 328.437 3.037 10 30 EGEELO N#Cc1ccc2ncc(C[NH2+]Cc3coc(-c4cccs4)n3)n2c1 ZINC000123462881 454639777 /nfs/dbraw/zinc/63/97/77/454639777.db2.gz ARROQQLJZFPIMZ-UHFFFAOYSA-N 1 2 335.392 3.212 10 30 EGEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccc(F)cc1 ZINC000177021136 454812511 /nfs/dbraw/zinc/81/25/11/454812511.db2.gz LRZPTNOCROMAEL-GOSISDBHSA-N 1 2 326.371 3.086 10 30 EGEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc(F)cc1 ZINC000177021136 454812514 /nfs/dbraw/zinc/81/25/14/454812514.db2.gz LRZPTNOCROMAEL-GOSISDBHSA-N 1 2 326.371 3.086 10 30 EGEELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000170886355 454994633 /nfs/dbraw/zinc/99/46/33/454994633.db2.gz TWFUTTOLDRLHNX-HNNXBMFYSA-N 1 2 348.878 3.422 10 30 EGEELO NC(=O)c1cc([NH+]2CCCCC2)ccc1NCC#Cc1ccccc1 ZINC000190324969 455297063 /nfs/dbraw/zinc/29/70/63/455297063.db2.gz HOAGSQSQFWRNRS-UHFFFAOYSA-N 1 2 333.435 3.239 10 30 EGEELO C=CC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246042826 455416990 /nfs/dbraw/zinc/41/69/90/455416990.db2.gz ANDOKLYALYXSCF-UVBJJODRSA-N 1 2 339.842 3.488 10 30 EGEELO C=CC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246042826 455416996 /nfs/dbraw/zinc/41/69/96/455416996.db2.gz ANDOKLYALYXSCF-UVBJJODRSA-N 1 2 339.842 3.488 10 30 EGEELO C=CCSc1ccccc1NC(=O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191256058 455472109 /nfs/dbraw/zinc/47/21/09/455472109.db2.gz ZBKBNLNZVZGEJD-KBPBESRZSA-N 1 2 334.485 3.137 10 30 EGEELO C=CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000279050866 455857049 /nfs/dbraw/zinc/85/70/49/455857049.db2.gz BCBFITXDPYUXAN-HNNXBMFYSA-N 1 2 332.835 3.428 10 30 EGEELO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)Cc1ccc(C#N)cc1)CCCC2 ZINC000279100759 455858383 /nfs/dbraw/zinc/85/83/83/455858383.db2.gz APZRJGJIQRLNGS-LJQANCHMSA-N 1 2 348.450 3.077 10 30 EGEELO C=CCCCCCCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000286475863 456048687 /nfs/dbraw/zinc/04/86/87/456048687.db2.gz HFPILZJTLIWMQR-UHFFFAOYSA-N 1 2 327.432 3.203 10 30 EGEELO Oc1ccc(/C=[NH+]/CC2CCN(c3ccccc3)CC2)c(O)c1O ZINC000281195242 456160349 /nfs/dbraw/zinc/16/03/49/456160349.db2.gz RNMRYVUESOCTPW-DEDYPNTBSA-N 1 2 326.396 3.139 10 30 EGEELO Cc1ccc(NC(=O)C2CCN(c3cc(C)[nH+]c(C)c3C#N)CC2)nc1 ZINC000301792532 456214480 /nfs/dbraw/zinc/21/44/80/456214480.db2.gz RHGOFPWMIQCNIB-UHFFFAOYSA-N 1 2 349.438 3.129 10 30 EGEELO Cc1cc(C#N)cc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)n1 ZINC000601133294 460725140 /nfs/dbraw/zinc/72/51/40/460725140.db2.gz ZKEBYVLNMPQDBQ-UHFFFAOYSA-N 1 2 349.463 3.194 10 30 EGEELO N#Cc1csc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)n1 ZINC000601136678 460726542 /nfs/dbraw/zinc/72/65/42/460726542.db2.gz JGWVBUNMJYIXGB-ZDUSSCGKSA-N 1 2 325.796 3.021 10 30 EGEELO Cc1ccc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)nc1C#N ZINC000302689046 456375090 /nfs/dbraw/zinc/37/50/90/456375090.db2.gz ZBHLJDMMWPMZIT-AWEZNQCLSA-N 1 2 342.393 3.423 10 30 EGEELO Cc1ccc(CN2CC[C@@H](Nc3cc(C)[nH+]c(C)c3C#N)C2=O)cc1 ZINC000302725729 456385148 /nfs/dbraw/zinc/38/51/48/456385148.db2.gz NNKZZHBOIXRWNI-GOSISDBHSA-N 1 2 334.423 3.092 10 30 EGEELO N#CCc1cccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282236824 456451891 /nfs/dbraw/zinc/45/18/91/456451891.db2.gz IDFLQIFGNBJANW-GOSISDBHSA-N 1 2 348.450 3.305 10 30 EGEELO Cc1cccc(C)c1CC[NH+]=C([O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328587987 456713315 /nfs/dbraw/zinc/71/33/15/456713315.db2.gz LEIGQMFYPZYMIA-UHFFFAOYSA-N 1 2 326.444 3.363 10 30 EGEELO CCc1cnc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)s1 ZINC000353568573 456767049 /nfs/dbraw/zinc/76/70/49/456767049.db2.gz MILRXFZYSNWEGL-UHFFFAOYSA-N 1 2 330.432 3.038 10 30 EGEELO C[C@H](C#N)C[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C1CC1 ZINC000338376143 456787998 /nfs/dbraw/zinc/78/79/98/456787998.db2.gz LLCDKBBQXMMDJV-OAHLLOKOSA-N 1 2 337.423 3.334 10 30 EGEELO C[C@H](C#N)C[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C1CC1 ZINC000338376143 456788005 /nfs/dbraw/zinc/78/80/05/456788005.db2.gz LLCDKBBQXMMDJV-OAHLLOKOSA-N 1 2 337.423 3.334 10 30 EGEELO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338381215 456788577 /nfs/dbraw/zinc/78/85/77/456788577.db2.gz HXBQXSLYFIGFJH-MLGOLLRUSA-N 1 2 344.352 3.267 10 30 EGEELO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000338381215 456788582 /nfs/dbraw/zinc/78/85/82/456788582.db2.gz HXBQXSLYFIGFJH-MLGOLLRUSA-N 1 2 344.352 3.267 10 30 EGEELO Cc1cnc([NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)s1 ZINC000329268181 456864189 /nfs/dbraw/zinc/86/41/89/456864189.db2.gz HYTBZYYFJCJLIR-NSHDSACASA-N 1 2 333.461 3.286 10 30 EGEELO COc1cccc(CNC(=O)C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000329420789 456887324 /nfs/dbraw/zinc/88/73/24/456887324.db2.gz HKPQKYZGNSITKS-IBGZPJMESA-N 1 2 346.471 3.433 10 30 EGEELO COc1cccc(CNC(=O)C[N@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000329420789 456887328 /nfs/dbraw/zinc/88/73/28/456887328.db2.gz HKPQKYZGNSITKS-IBGZPJMESA-N 1 2 346.471 3.433 10 30 EGEELO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]1c1cccs1 ZINC000329740996 456935051 /nfs/dbraw/zinc/93/50/51/456935051.db2.gz VSJMLIGATFFHRP-ABAIWWIYSA-N 1 2 330.457 3.326 10 30 EGEELO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1c1cccs1 ZINC000329740996 456935053 /nfs/dbraw/zinc/93/50/53/456935053.db2.gz VSJMLIGATFFHRP-ABAIWWIYSA-N 1 2 330.457 3.326 10 30 EGEELO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2cccc(Br)c2C1 ZINC000345139449 456939634 /nfs/dbraw/zinc/93/96/34/456939634.db2.gz IVDDJLRKTGWTII-UHFFFAOYSA-N 1 2 349.272 3.008 10 30 EGEELO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCO[C@@H](C2CCCCC2)C1 ZINC000329781619 456939769 /nfs/dbraw/zinc/93/97/69/456939769.db2.gz NJVVBOVHDUIODY-CRAIPNDOSA-N 1 2 348.491 3.023 10 30 EGEELO CC1(C)CCCC[C@H]1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330980838 457113927 /nfs/dbraw/zinc/11/39/27/457113927.db2.gz MXOSXOYCOQHEAG-LLVKDONJSA-N 1 2 332.370 3.418 10 30 EGEELO C=CCN(CCc1ccccc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357115022 457329345 /nfs/dbraw/zinc/32/93/45/457329345.db2.gz HFFYGJIXVVUFPT-UHFFFAOYSA-N 1 2 332.407 3.138 10 30 EGEELO C=CCOc1ccc(C[N@H+]2CCOC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000355256775 457350582 /nfs/dbraw/zinc/35/05/82/457350582.db2.gz SDVMGEJSOZEERK-SFHVURJKSA-N 1 2 327.428 3.165 10 30 EGEELO C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000355256775 457350589 /nfs/dbraw/zinc/35/05/89/457350589.db2.gz SDVMGEJSOZEERK-SFHVURJKSA-N 1 2 327.428 3.165 10 30 EGEELO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)on2)cn1 ZINC000368660835 458052455 /nfs/dbraw/zinc/05/24/55/458052455.db2.gz SXPAFVYEXCTQMW-UYAOXDASSA-N 1 2 347.422 3.347 10 30 EGEELO Cn1cc(-c2cc(C[N@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)on2)cn1 ZINC000368660835 458052467 /nfs/dbraw/zinc/05/24/67/458052467.db2.gz SXPAFVYEXCTQMW-UYAOXDASSA-N 1 2 347.422 3.347 10 30 EGEELO C=C[C@H](C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000362378141 458135534 /nfs/dbraw/zinc/13/55/34/458135534.db2.gz BVRAFALECFYDCW-WFASDCNBSA-N 1 2 339.842 3.490 10 30 EGEELO C=CCNC(=O)c1ccc(NCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000446884886 458242763 /nfs/dbraw/zinc/24/27/63/458242763.db2.gz SCFOWOSNGMIETP-UHFFFAOYSA-N 1 2 346.434 3.459 10 30 EGEELO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459457414 458377336 /nfs/dbraw/zinc/37/73/36/458377336.db2.gz CIVGVCMBFWFGPI-HNNXBMFYSA-N 1 2 339.395 3.240 10 30 EGEELO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459457414 458377341 /nfs/dbraw/zinc/37/73/41/458377341.db2.gz CIVGVCMBFWFGPI-HNNXBMFYSA-N 1 2 339.395 3.240 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)C2 ZINC000373133261 458405633 /nfs/dbraw/zinc/40/56/33/458405633.db2.gz ZQALFDNVMTXWKD-CJNGLKHVSA-N 1 2 328.460 3.179 10 30 EGEELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)CC2 ZINC000373133261 458405636 /nfs/dbraw/zinc/40/56/36/458405636.db2.gz ZQALFDNVMTXWKD-CJNGLKHVSA-N 1 2 328.460 3.179 10 30 EGEELO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@H](C)O2 ZINC000430281356 458433559 /nfs/dbraw/zinc/43/35/59/458433559.db2.gz CKFRSAAJUCJPEA-GLJUWKHASA-N 1 2 334.847 3.370 10 30 EGEELO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H](C)O2 ZINC000430281356 458433563 /nfs/dbraw/zinc/43/35/63/458433563.db2.gz CKFRSAAJUCJPEA-GLJUWKHASA-N 1 2 334.847 3.370 10 30 EGEELO OC[C@@]1(F)C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000451266463 458471272 /nfs/dbraw/zinc/47/12/72/458471272.db2.gz PAMWRAMUHUYLPE-UXHICEINSA-N 1 2 343.829 3.492 10 30 EGEELO OC[C@@]1(F)C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000451266463 458471275 /nfs/dbraw/zinc/47/12/75/458471275.db2.gz PAMWRAMUHUYLPE-UXHICEINSA-N 1 2 343.829 3.492 10 30 EGEELO OC[C@]1(F)C[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC000451285297 458472328 /nfs/dbraw/zinc/47/23/28/458472328.db2.gz QNZRRDHPENCZHW-UYAOXDASSA-N 1 2 343.829 3.492 10 30 EGEELO OC[C@]1(F)C[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC000451285297 458472331 /nfs/dbraw/zinc/47/23/31/458472331.db2.gz QNZRRDHPENCZHW-UYAOXDASSA-N 1 2 343.829 3.492 10 30 EGEELO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000451875123 458489678 /nfs/dbraw/zinc/48/96/78/458489678.db2.gz UNWDOQCBSSIDFC-GFCCVEGCSA-N 1 2 329.341 3.013 10 30 EGEELO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000451875123 458489682 /nfs/dbraw/zinc/48/96/82/458489682.db2.gz UNWDOQCBSSIDFC-GFCCVEGCSA-N 1 2 329.341 3.013 10 30 EGEELO N#CCC[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000438848700 458620601 /nfs/dbraw/zinc/62/06/01/458620601.db2.gz QAYCMZGXVJATKT-KRWDZBQOSA-N 1 2 337.427 3.344 10 30 EGEELO C=CCC1(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCOCC1 ZINC000424593073 458673847 /nfs/dbraw/zinc/67/38/47/458673847.db2.gz CCBXSXYLIJQDRS-UHFFFAOYSA-N 1 2 325.412 3.399 10 30 EGEELO CC1CCN(c2ccc(CNC(=O)c3cscc3C#N)c[nH+]2)CC1 ZINC000432407391 458734233 /nfs/dbraw/zinc/73/42/33/458734233.db2.gz ZTJRMYCCXZHOTH-UHFFFAOYSA-N 1 2 340.452 3.181 10 30 EGEELO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000566977145 459030562 /nfs/dbraw/zinc/03/05/62/459030562.db2.gz YWIGDLFEDPLJCR-YVEFUNNKSA-N 1 2 343.408 3.490 10 30 EGEELO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000566977145 459030564 /nfs/dbraw/zinc/03/05/64/459030564.db2.gz YWIGDLFEDPLJCR-YVEFUNNKSA-N 1 2 343.408 3.490 10 30 EGEELO C[N@@H+]1CC[C@H](NC(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000590314459 459113693 /nfs/dbraw/zinc/11/36/93/459113693.db2.gz MMFSNBPPHDFECF-GOEBONIOSA-N 1 2 335.810 3.034 10 30 EGEELO C[N@H+]1CC[C@H](NC(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000590314459 459113700 /nfs/dbraw/zinc/11/37/00/459113700.db2.gz MMFSNBPPHDFECF-GOEBONIOSA-N 1 2 335.810 3.034 10 30 EGEELO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1cscn1 ZINC000594713020 459137421 /nfs/dbraw/zinc/13/74/21/459137421.db2.gz SEILABUHORMZHF-KGLIPLIRSA-N 1 2 328.441 3.129 10 30 EGEELO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578073745 459141472 /nfs/dbraw/zinc/14/14/72/459141472.db2.gz ZMERYKMXYLJXCF-SFHVURJKSA-N 1 2 345.399 3.164 10 30 EGEELO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578073745 459141476 /nfs/dbraw/zinc/14/14/76/459141476.db2.gz ZMERYKMXYLJXCF-SFHVURJKSA-N 1 2 345.399 3.164 10 30 EGEELO N#Cc1cccc2c1C[N@H+](CC[C@@H]1Sc3ccccc3NC1=O)C2 ZINC000595561479 459347478 /nfs/dbraw/zinc/34/74/78/459347478.db2.gz MKNDFBFYLKTGLO-SFHVURJKSA-N 1 2 335.432 3.377 10 30 EGEELO N#Cc1cccc2c1C[N@@H+](CC[C@@H]1Sc3ccccc3NC1=O)C2 ZINC000595561479 459347483 /nfs/dbraw/zinc/34/74/83/459347483.db2.gz MKNDFBFYLKTGLO-SFHVURJKSA-N 1 2 335.432 3.377 10 30 EGEELO CCOC(=O)c1csc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000595632565 459376252 /nfs/dbraw/zinc/37/62/52/459376252.db2.gz GBJLEMOYIBICQU-UHFFFAOYSA-N 1 2 329.425 3.216 10 30 EGEELO Cc1ccnc(-c2noc(C[NH2+]C(C)(C)c3cccc(C#N)c3)n2)c1 ZINC000595633727 459376353 /nfs/dbraw/zinc/37/63/53/459376353.db2.gz XJTZOGRQEMGQGA-UHFFFAOYSA-N 1 2 333.395 3.337 10 30 EGEELO N#Cc1cccc(CNC(=O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC000595678309 459393800 /nfs/dbraw/zinc/39/38/00/459393800.db2.gz XWXHEAPDRHZEEP-HXUWFJFHSA-N 1 2 349.434 3.385 10 30 EGEELO N#Cc1cccc(CNC(=O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC000595678309 459393803 /nfs/dbraw/zinc/39/38/03/459393803.db2.gz XWXHEAPDRHZEEP-HXUWFJFHSA-N 1 2 349.434 3.385 10 30 EGEELO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000595838317 459459537 /nfs/dbraw/zinc/45/95/37/459459537.db2.gz SXQXSVZFXYPBLR-YJBOKZPZSA-N 1 2 349.381 3.019 10 30 EGEELO C[C@@]1(C#N)CC[N@H+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000595838317 459459542 /nfs/dbraw/zinc/45/95/42/459459542.db2.gz SXQXSVZFXYPBLR-YJBOKZPZSA-N 1 2 349.381 3.019 10 30 EGEELO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000569686691 459493841 /nfs/dbraw/zinc/49/38/41/459493841.db2.gz CQISRUVJYOODIG-HNNXBMFYSA-N 1 2 343.393 3.145 10 30 EGEELO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000569686691 459493846 /nfs/dbraw/zinc/49/38/46/459493846.db2.gz CQISRUVJYOODIG-HNNXBMFYSA-N 1 2 343.393 3.145 10 30 EGEELO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592055725 459517862 /nfs/dbraw/zinc/51/78/62/459517862.db2.gz FGUOOYSPKLOHAP-OAHLLOKOSA-N 1 2 340.858 3.485 10 30 EGEELO Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000596110039 459524287 /nfs/dbraw/zinc/52/42/87/459524287.db2.gz ICFLDXSXZWGPIL-UHFFFAOYSA-N 1 2 339.277 3.146 10 30 EGEELO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1ccncc1C#N ZINC000592123393 459529544 /nfs/dbraw/zinc/52/95/44/459529544.db2.gz ZNWGIJDFQCSDLN-ZDUSSCGKSA-N 1 2 344.821 3.456 10 30 EGEELO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1ccncc1C#N ZINC000592123393 459529548 /nfs/dbraw/zinc/52/95/48/459529548.db2.gz ZNWGIJDFQCSDLN-ZDUSSCGKSA-N 1 2 344.821 3.456 10 30 EGEELO Cc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596158024 459542040 /nfs/dbraw/zinc/54/20/40/459542040.db2.gz MWGHQRYZYXEEJY-MLGOLLRUSA-N 1 2 325.372 3.059 10 30 EGEELO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)cc1 ZINC000592189301 459546192 /nfs/dbraw/zinc/54/61/92/459546192.db2.gz ZTTHPDRYJYHDSN-VQTJNVASSA-N 1 2 343.430 3.478 10 30 EGEELO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)cc1 ZINC000592189301 459546197 /nfs/dbraw/zinc/54/61/97/459546197.db2.gz ZTTHPDRYJYHDSN-VQTJNVASSA-N 1 2 343.430 3.478 10 30 EGEELO C[C@H](CC#N)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596613348 459698849 /nfs/dbraw/zinc/69/88/49/459698849.db2.gz BCGPNMRWDUZLOV-FMKPAKJESA-N 1 2 326.400 3.049 10 30 EGEELO C[C@H](CC#N)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000596613348 459698854 /nfs/dbraw/zinc/69/88/54/459698854.db2.gz BCGPNMRWDUZLOV-FMKPAKJESA-N 1 2 326.400 3.049 10 30 EGEELO N#CC1(CN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000501541868 459734177 /nfs/dbraw/zinc/73/41/77/459734177.db2.gz PFAZSLSNDQWRFE-UHFFFAOYSA-N 1 2 338.282 3.457 10 30 EGEELO C[C@](C#N)(NC(=O)C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1)C1CC1 ZINC000593052501 459757177 /nfs/dbraw/zinc/75/71/77/459757177.db2.gz VPEDMDKIUDRHPT-OAQYLSRUSA-N 1 2 349.434 3.113 10 30 EGEELO C[C@](C#N)(NC(=O)C[N@H+]1CCc2oc(-c3ccccc3)cc2C1)C1CC1 ZINC000593052501 459757182 /nfs/dbraw/zinc/75/71/82/459757182.db2.gz VPEDMDKIUDRHPT-OAQYLSRUSA-N 1 2 349.434 3.113 10 30 EGEELO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000574467344 459822472 /nfs/dbraw/zinc/82/24/72/459822472.db2.gz UBXCKJNAPWBJNM-NSHDSACASA-N 1 2 331.160 3.134 10 30 EGEELO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000574467344 459822474 /nfs/dbraw/zinc/82/24/74/459822474.db2.gz UBXCKJNAPWBJNM-NSHDSACASA-N 1 2 331.160 3.134 10 30 EGEELO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1Cl ZINC000597182895 459866004 /nfs/dbraw/zinc/86/60/04/459866004.db2.gz QDVORPHXZAAMPZ-YMTOWFKASA-N 1 2 349.221 3.202 10 30 EGEELO N#C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000597182895 459866009 /nfs/dbraw/zinc/86/60/09/459866009.db2.gz QDVORPHXZAAMPZ-YMTOWFKASA-N 1 2 349.221 3.202 10 30 EGEELO N#CCC1C[NH+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000597203522 459874926 /nfs/dbraw/zinc/87/49/26/459874926.db2.gz JLKCHZYAKBEBNV-UHFFFAOYSA-N 1 2 331.160 3.396 10 30 EGEELO CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000593419676 459884292 /nfs/dbraw/zinc/88/42/92/459884292.db2.gz IEPPZZGYGGWJDV-OAHLLOKOSA-N 1 2 336.439 3.243 10 30 EGEELO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609135129 459908535 /nfs/dbraw/zinc/90/85/35/459908535.db2.gz FBKKVHHWVGJSCT-OAHLLOKOSA-N 1 2 340.431 3.180 10 30 EGEELO Cc1cn2cc(NC(=O)c3cc4ccccc4n3CC#N)ccc2[nH+]1 ZINC000609170978 459917449 /nfs/dbraw/zinc/91/74/49/459917449.db2.gz ZTNRONCBVAVMSA-UHFFFAOYSA-N 1 2 329.363 3.373 10 30 EGEELO N#Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c(F)c1 ZINC000609233136 459929537 /nfs/dbraw/zinc/92/95/37/459929537.db2.gz RQORVYIUWQKIRC-UHFFFAOYSA-N 1 2 344.353 3.438 10 30 EGEELO N#CC1(C[NH2+]Cc2cn3ccc(Br)cc3n2)CCCC1 ZINC000593654534 459942041 /nfs/dbraw/zinc/94/20/41/459942041.db2.gz GAMYCHUIAVRHDP-UHFFFAOYSA-N 1 2 333.233 3.270 10 30 EGEELO C[C@@H]1C[C@@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)c2[nH+]ccn21 ZINC000594246102 460170486 /nfs/dbraw/zinc/17/04/86/460170486.db2.gz LXRCMUQQLDKUOL-CZUORRHYSA-N 1 2 335.411 3.139 10 30 EGEELO C=C[C@@H](C(=O)OC)[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000599515428 460265938 /nfs/dbraw/zinc/26/59/38/460265938.db2.gz RIAWDBGJJJLYKL-INIZCTEOSA-N 1 2 347.459 3.099 10 30 EGEELO 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C=CC(C)(C)CCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000624466178 461016319 /nfs/dbraw/zinc/01/63/19/461016319.db2.gz LWNJKOSFIHWXCZ-MRXNPFEDSA-N 1 2 330.476 3.072 10 30 EGEELO C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000624505383 461032313 /nfs/dbraw/zinc/03/23/13/461032313.db2.gz INYPBQCTVADGNY-OAHLLOKOSA-N 1 2 327.403 3.108 10 30 EGEELO CC#CC[NH2+]Cc1cn(Cc2ccc([C@H](C)C(F)(F)F)cc2)nn1 ZINC000641122109 461124036 /nfs/dbraw/zinc/12/40/36/461124036.db2.gz YYTUDWHRWWUPRI-ZDUSSCGKSA-N 1 2 336.361 3.105 10 30 EGEELO C=CCOc1ccccc1C[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000668771394 461428187 /nfs/dbraw/zinc/42/81/87/461428187.db2.gz MSYTYNHVLCJDGF-UHFFFAOYSA-N 1 2 326.444 3.156 10 30 EGEELO C=CCOc1ccccc1C[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000668771394 461428192 /nfs/dbraw/zinc/42/81/92/461428192.db2.gz MSYTYNHVLCJDGF-UHFFFAOYSA-N 1 2 326.444 3.156 10 30 EGEELO C=CC(C)(C)CNC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651133903 462100870 /nfs/dbraw/zinc/10/08/70/462100870.db2.gz IRVHFVSVMYJQLP-MRXNPFEDSA-N 1 2 326.444 3.215 10 30 EGEELO C=C[C@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651330100 462182410 /nfs/dbraw/zinc/18/24/10/462182410.db2.gz NXDGUHIHTLIFCZ-ZWKOTPCHSA-N 1 2 338.455 3.454 10 30 EGEELO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@@H]1CCCc2ccccc21 ZINC000328859580 547486809 /nfs/dbraw/zinc/48/68/09/547486809.db2.gz YNVGVFYZGMBJRZ-BRWVUGGUSA-N 1 2 327.428 3.071 10 30 EGEELO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N[C@@H]1CCCc2ccccc21 ZINC000328859580 547486811 /nfs/dbraw/zinc/48/68/11/547486811.db2.gz YNVGVFYZGMBJRZ-BRWVUGGUSA-N 1 2 327.428 3.071 10 30 EGEELO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)c1ccc3[nH+]ccn3c1)C2 ZINC000328987887 547488600 /nfs/dbraw/zinc/48/86/00/547488600.db2.gz RNVQUUIFAFASKG-AWEZNQCLSA-N 1 2 337.427 3.148 10 30 EGEELO C=CCOc1ccccc1C[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000678138617 549407762 /nfs/dbraw/zinc/40/77/62/549407762.db2.gz OFMJXAWGOLXEDA-UHFFFAOYSA-N 1 2 330.472 3.474 10 30 EGEELO C=CCOc1ccccc1C[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000678138617 549407766 /nfs/dbraw/zinc/40/77/66/549407766.db2.gz OFMJXAWGOLXEDA-UHFFFAOYSA-N 1 2 330.472 3.474 10 30 EGEELO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1cccc(C#N)c1O ZINC000872129157 1296753591 /nfs/dbraw/zinc/75/35/91/1296753591.db2.gz VHJGALQIEGARNL-MLGOLLRUSA-N 1 2 330.815 3.171 10 30 EGEELO C=CCCC[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000879145044 1300399007 /nfs/dbraw/zinc/39/90/07/1300399007.db2.gz QYOHVPNDOPCIIR-WOJBJXKFSA-N 1 2 342.483 3.060 10 30 EGEELO C=CC1CCN(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC1 ZINC000889558715 1304525367 /nfs/dbraw/zinc/52/53/67/1304525367.db2.gz VGWPTAAEDNUKDK-QAQDUYKDSA-N 1 2 328.460 3.412 10 30 EGEELO C=C1CC(C)(c2noc(-c3ccccc3C[NH+]3CCOCC3)n2)C1 ZINC000896919602 1310083962 /nfs/dbraw/zinc/08/39/62/1310083962.db2.gz ULNUSPQNACPALG-UHFFFAOYSA-N 1 2 325.412 3.177 10 30 EGEELO C#CCCOC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000859093869 1328921572 /nfs/dbraw/zinc/92/15/72/1328921572.db2.gz XXLMQVNCGUFBJW-JKSUJKDBSA-N 1 2 338.810 3.364 10 30 EGEELO C#CCCOC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000859093869 1328921574 /nfs/dbraw/zinc/92/15/74/1328921574.db2.gz XXLMQVNCGUFBJW-JKSUJKDBSA-N 1 2 338.810 3.364 10 30 EGEELO CC(C)(C(=O)NCCCCNc1cccc[nH+]1)c1ccc(C#N)cc1 ZINC000859222348 1328949798 /nfs/dbraw/zinc/94/97/98/1328949798.db2.gz TXDMLJYYFBNSGH-UHFFFAOYSA-N 1 2 336.439 3.239 10 30 EGEELO OC1(Cc2ccccn2)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000930985528 1329022362 /nfs/dbraw/zinc/02/23/62/1329022362.db2.gz QVULHNCAVFVETK-UHFFFAOYSA-N 1 2 340.854 3.156 10 30 EGEELO C=CCOc1ccc(C[NH2+]Cc2noc3c2COCC3)cc1Cl ZINC000923015358 1322674683 /nfs/dbraw/zinc/67/46/83/1322674683.db2.gz LHKBWVLTVUZBMT-UHFFFAOYSA-N 1 2 334.803 3.255 10 30 EGEELO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cccc(C#N)c1O ZINC000924634268 1323085604 /nfs/dbraw/zinc/08/56/04/1323085604.db2.gz CIKGNAOADJKGBZ-SFHVURJKSA-N 1 2 336.439 3.500 10 30 EGEELO CC[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1cccc(C#N)c1O ZINC000926279401 1325501581 /nfs/dbraw/zinc/50/15/81/1325501581.db2.gz NCPVXABLOMLMMQ-SWLSCSKDSA-N 1 2 333.432 3.218 10 30 EGEELO CC[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cccc(C#N)c1O ZINC000926497554 1325575790 /nfs/dbraw/zinc/57/57/90/1325575790.db2.gz LLYPMXCMTSNJRC-WMZOPIPTSA-N 1 2 328.387 3.047 10 30 EGEELO CC[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cccc(C#N)c1O ZINC000926587521 1327626911 /nfs/dbraw/zinc/62/69/11/1327626911.db2.gz MUPHUKONROBRTH-QAPCUYQASA-N 1 2 328.387 3.220 10 30 EGEELO CC[C@@H]([NH2+]Cc1cn(C)nc1Br)c1cccc(C#N)c1O ZINC000926882819 1327755125 /nfs/dbraw/zinc/75/51/25/1327755125.db2.gz DUNSHSOHEGOVRH-CYBMUJFWSA-N 1 2 349.232 3.001 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2c2ccnn2C)c1C ZINC000932271260 1329802031 /nfs/dbraw/zinc/80/20/31/1329802031.db2.gz NPMXVAOCUCMLST-SFHVURJKSA-N 1 2 326.444 3.044 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2c2ccnn2C)c1C ZINC000932271260 1329802033 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331.460 3.142 10 30 EGEELO C=CCC1(C(=O)NC/C=C\C[NH2+][C@H](C)c2nnc(C)s2)CCCC1 ZINC001732943831 1429067502 /nfs/dbraw/zinc/06/75/02/1429067502.db2.gz VOLNYMFEGJMADP-WBTMPAOCSA-N 1 2 348.516 3.306 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CC[N@H+](C/C(Cl)=C\Cl)[C@@H]1CC ZINC001707199558 1417241341 /nfs/dbraw/zinc/24/13/41/1417241341.db2.gz DPPZOQXXNBNZKE-TZLBIFBXSA-N 1 2 331.287 3.468 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CC[N@@H+](C/C(Cl)=C\Cl)[C@@H]1CC ZINC001707199558 1417241344 /nfs/dbraw/zinc/24/13/44/1417241344.db2.gz DPPZOQXXNBNZKE-TZLBIFBXSA-N 1 2 331.287 3.468 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)[C@@H]2CC)CCC1 ZINC001707202319 1417243257 /nfs/dbraw/zinc/24/32/57/1417243257.db2.gz YZAWKRIOHTUATP-JKSUJKDBSA-N 1 2 333.501 3.359 10 30 EGEELO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)[C@@H]2CC)CCC1 ZINC001707202319 1417243259 /nfs/dbraw/zinc/24/32/59/1417243259.db2.gz YZAWKRIOHTUATP-JKSUJKDBSA-N 1 2 333.501 3.359 10 30 EGEELO C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1noc(C(C)C)n1 ZINC001707444548 1417348313 /nfs/dbraw/zinc/34/83/13/1417348313.db2.gz VLGUDJPRDOUFDA-HUUCEWRRSA-N 1 2 334.464 3.018 10 30 EGEELO C=CC1(CC(=O)NCCC[N@@H+](C)[C@@H](C)c2nnc(C)[nH]2)CCCCC1 ZINC001712976844 1417530551 /nfs/dbraw/zinc/53/05/51/1417530551.db2.gz LKXABHPUXMTAGU-HNNXBMFYSA-N 1 2 347.507 3.139 10 30 EGEELO C=CC1(CC(=O)NCCC[N@H+](C)[C@@H](C)c2nnc(C)[nH]2)CCCCC1 ZINC001712976844 1417530556 /nfs/dbraw/zinc/53/05/56/1417530556.db2.gz LKXABHPUXMTAGU-HNNXBMFYSA-N 1 2 347.507 3.139 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(C(C)C)o2)C1 ZINC001713218868 1417798717 /nfs/dbraw/zinc/79/87/17/1417798717.db2.gz FGUOVSDXBHUEQL-KXBFYZLASA-N 1 2 348.491 3.124 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(C(C)C)o2)C1 ZINC001713218868 1417798720 /nfs/dbraw/zinc/79/87/20/1417798720.db2.gz FGUOVSDXBHUEQL-KXBFYZLASA-N 1 2 348.491 3.124 10 30 EGEELO CC(C)(C)C#CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001713252047 1417844063 /nfs/dbraw/zinc/84/40/63/1417844063.db2.gz PYGBXVAQYMGZPI-GOSISDBHSA-N 1 2 348.437 3.485 10 30 EGEELO CC(C)(C)C#CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001713252047 1417844066 /nfs/dbraw/zinc/84/40/66/1417844066.db2.gz PYGBXVAQYMGZPI-GOSISDBHSA-N 1 2 348.437 3.485 10 30 EGEELO C=C1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ncc(C(C)(C)C)o2)CC1 ZINC001713337425 1417961595 /nfs/dbraw/zinc/96/15/95/1417961595.db2.gz PQPVGAQTDWGBBD-AWEZNQCLSA-N 1 2 333.476 3.313 10 30 EGEELO CC[N@H+](CCNC(=O)C#CC(C)C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC001713484563 1418177257 /nfs/dbraw/zinc/17/72/57/1418177257.db2.gz MMJAVAWOQUDPLC-OAHLLOKOSA-N 1 2 333.476 3.131 10 30 EGEELO CC[N@@H+](CCNC(=O)C#CC(C)C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC001713484563 1418177261 /nfs/dbraw/zinc/17/72/61/1418177261.db2.gz MMJAVAWOQUDPLC-OAHLLOKOSA-N 1 2 333.476 3.131 10 30 EGEELO CC(C)(C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001713502008 1418219004 /nfs/dbraw/zinc/21/90/04/1418219004.db2.gz OGBFUQSTCYSSRT-QGZVFWFLSA-N 1 2 331.435 3.214 10 30 EGEELO CC(C)(C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001713502008 1418219008 /nfs/dbraw/zinc/21/90/08/1418219008.db2.gz OGBFUQSTCYSSRT-QGZVFWFLSA-N 1 2 331.435 3.214 10 30 EGEELO CCC[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001713503935 1418223507 /nfs/dbraw/zinc/22/35/07/1418223507.db2.gz ZXVDVBWKKDUWMI-KBXCAEBGSA-N 1 2 331.435 3.214 10 30 EGEELO CCC[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001713503935 1418223512 /nfs/dbraw/zinc/22/35/12/1418223512.db2.gz ZXVDVBWKKDUWMI-KBXCAEBGSA-N 1 2 331.435 3.214 10 30 EGEELO C#CCCCCCC(=O)NC[C@@H]1CCC[N@H+]1CC(=C)Br ZINC001713511975 1418242135 /nfs/dbraw/zinc/24/21/35/1418242135.db2.gz FBVBVIRFZBOIOV-HNNXBMFYSA-N 1 2 341.293 3.059 10 30 EGEELO C#CCCCCCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=C)Br ZINC001713511975 1418242144 /nfs/dbraw/zinc/24/21/44/1418242144.db2.gz FBVBVIRFZBOIOV-HNNXBMFYSA-N 1 2 341.293 3.059 10 30 EGEELO CC(C)[C@H]1C[C@@H]1C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001713564423 1418371651 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C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC(C)(C)C ZINC001713931950 1418722163 /nfs/dbraw/zinc/72/21/63/1418722163.db2.gz RSVVYXOMEACITC-JYJNAYRXSA-N 1 2 328.431 3.221 10 30 EGEELO C[C@@H](c1ccccc1F)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC(C)(C)C ZINC001713931950 1418722164 /nfs/dbraw/zinc/72/21/64/1418722164.db2.gz RSVVYXOMEACITC-JYJNAYRXSA-N 1 2 328.431 3.221 10 30 EGEELO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001714012587 1418791503 /nfs/dbraw/zinc/79/15/03/1418791503.db2.gz HVWKNYYSVCFSFS-AWEZNQCLSA-N 1 2 343.309 3.398 10 30 EGEELO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001714012587 1418791504 /nfs/dbraw/zinc/79/15/04/1418791504.db2.gz HVWKNYYSVCFSFS-AWEZNQCLSA-N 1 2 343.309 3.398 10 30 EGEELO C=CCCCC(=O)NC[C@H]1CCC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC001714043282 1418834548 /nfs/dbraw/zinc/83/45/48/1418834548.db2.gz QQLUVKGLSRZKQR-OAHLLOKOSA-N 1 2 346.475 3.022 10 30 EGEELO C=CCCCC(=O)NC[C@H]1CCC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC001714043282 1418834554 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10 30 EGEELO C=CC(C)(C)C(=O)NCC1=CC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001734628368 1438191874 /nfs/dbraw/zinc/19/18/74/1438191874.db2.gz VCSQTVWQHCKTGK-UHFFFAOYSA-N 1 2 334.410 3.425 10 30 EGEELO C=CC(C)(C)C(=O)NCC1=CC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001734628368 1438191877 /nfs/dbraw/zinc/19/18/77/1438191877.db2.gz VCSQTVWQHCKTGK-UHFFFAOYSA-N 1 2 334.410 3.425 10 30 EGEELO C=C[C@](C)(CC)C(=O)N[C@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001744954631 1439714087 /nfs/dbraw/zinc/71/40/87/1439714087.db2.gz QUDPURXKSJSVLJ-JLTOFOAXSA-N 1 2 345.487 3.234 10 30 EGEELO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2csnn2)CC(C)(C)C1 ZINC001750944015 1440117392 /nfs/dbraw/zinc/11/73/92/1440117392.db2.gz IYOWOOXUQPXGSA-CQSZACIVSA-N 1 2 336.505 3.001 10 30 EGEELO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2csnn2)CC(C)(C)C1 ZINC001750944015 1440117393 /nfs/dbraw/zinc/11/73/93/1440117393.db2.gz IYOWOOXUQPXGSA-CQSZACIVSA-N 1 2 336.505 3.001 10 30 EGEELO CCCc1noc([C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000052801461 214147118 /nfs/dbraw/zinc/14/71/18/214147118.db2.gz CWGJADQZYZWQIO-HNNXBMFYSA-N 1 2 339.443 3.167 10 30 EGEELO CCCc1noc([C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000052801461 214147121 /nfs/dbraw/zinc/14/71/21/214147121.db2.gz CWGJADQZYZWQIO-HNNXBMFYSA-N 1 2 339.443 3.167 10 30 EGEELO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(OCC(C)C)CC2)c(C#N)c1C ZINC000054326467 214231549 /nfs/dbraw/zinc/23/15/49/214231549.db2.gz HUPIGEUVKPTSQM-AWEZNQCLSA-N 1 2 347.459 3.232 10 30 EGEELO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000175130100 231389496 /nfs/dbraw/zinc/38/94/96/231389496.db2.gz WIMANUONWXZOEK-HNNXBMFYSA-N 1 2 328.441 3.124 10 30 EGEELO Cn1cccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000175130100 231389498 /nfs/dbraw/zinc/38/94/98/231389498.db2.gz WIMANUONWXZOEK-HNNXBMFYSA-N 1 2 328.441 3.124 10 30 EGEELO N#Cc1cccnc1N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000253614650 283218527 /nfs/dbraw/zinc/21/85/27/283218527.db2.gz BFNDOYLZOULRRJ-UHFFFAOYSA-N 1 2 346.356 3.294 10 30 EGEELO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264090553 246056442 /nfs/dbraw/zinc/05/64/42/246056442.db2.gz GLRLBJDAPDDQMQ-CYBMUJFWSA-N 1 2 338.411 3.423 10 30 EGEELO N#Cc1ccc2[nH+]cc(CNc3ccc(-c4csnn4)cc3)n2c1 ZINC000119696115 152223962 /nfs/dbraw/zinc/22/39/62/152223962.db2.gz HHQFESGSGLOXHJ-UHFFFAOYSA-N 1 2 332.392 3.337 10 30 EGEELO N#Cc1ccc(NCc2cn3cc(Cl)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000357322019 166646262 /nfs/dbraw/zinc/64/62/62/166646262.db2.gz BIPOCUBCRLDCEI-UHFFFAOYSA-N 1 2 327.731 3.380 10 30 EGEELO C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046118663 269886090 /nfs/dbraw/zinc/88/60/90/269886090.db2.gz HSKSXVHNDFQICZ-AWEZNQCLSA-N 1 2 332.363 3.150 10 30 EGEELO CCS(=O)(=O)Nc1ccc(Nc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000301750929 266340828 /nfs/dbraw/zinc/34/08/28/266340828.db2.gz AWNMSFQRDKIWQJ-UHFFFAOYSA-N 1 2 330.413 3.075 10 30 EGEELO C[C@@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000285532200 267022818 /nfs/dbraw/zinc/02/28/18/267022818.db2.gz CPUMYJOKZMNWAL-WBMJQRKESA-N 1 2 328.803 3.131 10 30 EGEELO Cc1nsc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1C#N ZINC000410810697 267709768 /nfs/dbraw/zinc/70/97/68/267709768.db2.gz JTLDUGAVEPYVGZ-ZDUSSCGKSA-N 1 2 334.832 3.218 10 30 EGEELO Cc1[nH+]c2cc(NC(=O)c3ccc(C#N)cc3C)ccc2n1[C@@H](C)CO ZINC000456718818 268079273 /nfs/dbraw/zinc/07/92/73/268079273.db2.gz PYUXUJYRKOOPRS-ZDUSSCGKSA-N 1 2 348.406 3.330 10 30 EGEELO Cn1c(C#N)ccc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425581309 268115669 /nfs/dbraw/zinc/11/56/69/268115669.db2.gz ZHWQTPOTYQMXIX-UHFFFAOYSA-N 1 2 345.406 3.349 10 30 EGEELO N#Cc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cn1 ZINC000436175307 268205649 /nfs/dbraw/zinc/20/56/49/268205649.db2.gz MIKXACALKBZLPX-UHFFFAOYSA-N 1 2 343.390 3.405 10 30 EGEELO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2ccc(Br)cc2)C1=O ZINC000337137990 456329309 /nfs/dbraw/zinc/32/93/09/456329309.db2.gz OQLGITNZAMSQLH-JKSUJKDBSA-N 1 2 349.272 3.373 10 30 EGEELO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccc(Br)cc2)C1=O ZINC000337137990 456329316 /nfs/dbraw/zinc/32/93/16/456329316.db2.gz OQLGITNZAMSQLH-JKSUJKDBSA-N 1 2 349.272 3.373 10 30 EGEELO C=CC[C@H]1CCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000623457391 460560431 /nfs/dbraw/zinc/56/04/31/460560431.db2.gz HGLIUDWLXNUILC-INIZCTEOSA-N 1 2 328.460 3.180 10 30 EGEELO C[N@@H+](Cc1cccc(C#N)c1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000026326551 453796552 /nfs/dbraw/zinc/79/65/52/453796552.db2.gz FEBCGPTVGGNKML-UHFFFAOYSA-N 1 2 344.374 3.173 10 30 EGEELO C[N@H+](Cc1cccc(C#N)c1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000026326551 453796553 /nfs/dbraw/zinc/79/65/53/453796553.db2.gz FEBCGPTVGGNKML-UHFFFAOYSA-N 1 2 344.374 3.173 10 30 EGEELO C=CCOc1cccc(NC(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000056624540 454071367 /nfs/dbraw/zinc/07/13/67/454071367.db2.gz DIGQNZSWSFAIIS-UHFFFAOYSA-N 1 2 326.400 3.034 10 30 EGEELO C=CCc1cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cc(OC)c1O ZINC000131499082 454259182 /nfs/dbraw/zinc/25/91/82/454259182.db2.gz APBVNCXKNGVNHP-ZDUSSCGKSA-N 1 2 335.444 3.291 10 30 EGEELO C=CCc1cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cc(OC)c1O ZINC000131499082 454259187 /nfs/dbraw/zinc/25/91/87/454259187.db2.gz APBVNCXKNGVNHP-ZDUSSCGKSA-N 1 2 335.444 3.291 10 30 EGEELO COc1c([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)c(C)nn1C ZINC000072253716 454278353 /nfs/dbraw/zinc/27/83/53/454278353.db2.gz QQCIJNSPWQPDSC-MRXNPFEDSA-N 1 2 328.391 3.085 10 30 EGEELO COc1c([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)c(C)nn1C ZINC000072253716 454278362 /nfs/dbraw/zinc/27/83/62/454278362.db2.gz QQCIJNSPWQPDSC-MRXNPFEDSA-N 1 2 328.391 3.085 10 30 EGEELO C=CCOc1ccccc1CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000176631324 454766156 /nfs/dbraw/zinc/76/61/56/454766156.db2.gz QHXJVDNZSWEPDL-UHFFFAOYSA-N 1 2 342.443 3.103 10 30 EGEELO NC(=O)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000177284344 454846319 /nfs/dbraw/zinc/84/63/19/454846319.db2.gz GOCCVMRKNYMRMS-UHFFFAOYSA-N 1 2 346.352 3.044 10 30 EGEELO NC(=O)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000177284344 454846322 /nfs/dbraw/zinc/84/63/22/454846322.db2.gz GOCCVMRKNYMRMS-UHFFFAOYSA-N 1 2 346.352 3.044 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1C ZINC000177605734 454882587 /nfs/dbraw/zinc/88/25/87/454882587.db2.gz ACFHBJWIEKWLAE-GOSISDBHSA-N 1 2 326.444 3.424 10 30 EGEELO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1C ZINC000177605734 454882590 /nfs/dbraw/zinc/88/25/90/454882590.db2.gz ACFHBJWIEKWLAE-GOSISDBHSA-N 1 2 326.444 3.424 10 30 EGEELO N#Cc1ccc(C[NH2+]Cc2cc(O)ccc2Br)c(F)c1 ZINC000178165232 454939879 /nfs/dbraw/zinc/93/98/79/454939879.db2.gz BUZSZGQZBHTTMT-UHFFFAOYSA-N 1 2 335.176 3.455 10 30 EGEELO C#C[C@@H](C)Oc1ccc(COC(=O)c2cccc(-n3cc[nH+]c3)n2)cc1 ZINC000170617246 454943478 /nfs/dbraw/zinc/94/34/78/454943478.db2.gz VWTNFEHDZJDJLK-OAHLLOKOSA-N 1 2 347.374 3.025 10 30 EGEELO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127394046 454960822 /nfs/dbraw/zinc/96/08/22/454960822.db2.gz VOCPWTNFPXEMGS-MSOLQXFVSA-N 1 2 341.361 3.012 10 30 EGEELO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000127394046 454960824 /nfs/dbraw/zinc/96/08/24/454960824.db2.gz VOCPWTNFPXEMGS-MSOLQXFVSA-N 1 2 341.361 3.012 10 30 EGEELO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)o1 ZINC000156571158 455133802 /nfs/dbraw/zinc/13/38/02/455133802.db2.gz WGBCTUKDYNLDAG-MRXNPFEDSA-N 1 2 325.412 3.355 10 30 EGEELO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)o1 ZINC000156571158 455133806 /nfs/dbraw/zinc/13/38/06/455133806.db2.gz WGBCTUKDYNLDAG-MRXNPFEDSA-N 1 2 325.412 3.355 10 30 EGEELO C=C(C)CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000181078521 455284334 /nfs/dbraw/zinc/28/43/34/455284334.db2.gz ASMGANITIDJMRL-CQSZACIVSA-N 1 2 337.414 3.147 10 30 EGEELO C=C(C)CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000181078521 455284340 /nfs/dbraw/zinc/28/43/40/455284340.db2.gz ASMGANITIDJMRL-CQSZACIVSA-N 1 2 337.414 3.147 10 30 EGEELO Cc1csc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000184185457 455360433 /nfs/dbraw/zinc/36/04/33/455360433.db2.gz PIULRTBUYWVQFN-WDEREUQCSA-N 1 2 332.429 3.211 10 30 EGEELO C=CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000271433456 455635058 /nfs/dbraw/zinc/63/50/58/455635058.db2.gz XWOCYWOZNHHUAH-IAGOWNOFSA-N 1 2 335.398 3.070 10 30 EGEELO C=CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000271433456 455635064 /nfs/dbraw/zinc/63/50/64/455635064.db2.gz XWOCYWOZNHHUAH-IAGOWNOFSA-N 1 2 335.398 3.070 10 30 EGEELO Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000296279824 455898784 /nfs/dbraw/zinc/89/87/84/455898784.db2.gz IVWIXTYNBZQCOY-HOTGVXAUSA-N 1 2 339.443 3.116 10 30 EGEELO C=C[C@](C)(CC)C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000188484408 456071301 /nfs/dbraw/zinc/07/13/01/456071301.db2.gz QYEJGZHCAJKPFN-CRAIPNDOSA-N 1 2 336.501 3.182 10 30 EGEELO C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000617039600 460723008 /nfs/dbraw/zinc/72/30/08/460723008.db2.gz JMTIJTVKQFIYPP-QUCCMNQESA-N 1 2 342.483 3.384 10 30 EGEELO Cc1ccc(NC(=O)[C@@H]2CCCN(c3cc(C)[nH+]c(C)c3C#N)C2)nc1 ZINC000301799202 456217299 /nfs/dbraw/zinc/21/72/99/456217299.db2.gz VDRHFIJHXHMFQE-MRXNPFEDSA-N 1 2 349.438 3.129 10 30 EGEELO Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000290359245 456304295 /nfs/dbraw/zinc/30/42/95/456304295.db2.gz MPCDXIRDRYBITN-UHFFFAOYSA-N 1 2 329.835 3.355 10 30 EGEELO CCOc1cc2c(cc1C[NH2+]Cc1nc(C#N)cs1)O[C@@H](C)C2 ZINC000352837348 456353010 /nfs/dbraw/zinc/35/30/10/456353010.db2.gz ZRDZTEFMDINCHM-NSHDSACASA-N 1 2 329.425 3.027 10 30 EGEELO C=CCCc1ccccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000337583492 456400474 /nfs/dbraw/zinc/40/04/74/456400474.db2.gz CVNCMLGOINFVTO-SFHVURJKSA-N 1 2 343.471 3.134 10 30 EGEELO CC1(C#N)CC[NH+](Cc2cn3ccc(Br)cc3n2)CC1 ZINC000290791932 456430589 /nfs/dbraw/zinc/43/05/89/456430589.db2.gz DGANLHZYLHHXBV-UHFFFAOYSA-N 1 2 333.233 3.222 10 30 EGEELO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348251533 456571136 /nfs/dbraw/zinc/57/11/36/456571136.db2.gz WEGVZFHFTPBVGL-WZRBSPASSA-N 1 2 325.334 3.158 10 30 EGEELO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348251533 456571142 /nfs/dbraw/zinc/57/11/42/456571142.db2.gz WEGVZFHFTPBVGL-WZRBSPASSA-N 1 2 325.334 3.158 10 30 EGEELO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H](CCO)C1CCCCC1 ZINC000328963656 456801584 /nfs/dbraw/zinc/80/15/84/456801584.db2.gz LNECGAGGQAAZJQ-KBAYOESNSA-N 1 2 345.487 3.442 10 30 EGEELO C=CCOc1ccc(C[N@@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cc1OC ZINC000353696902 456859138 /nfs/dbraw/zinc/85/91/38/456859138.db2.gz CPGNMWMROHADOR-UHFFFAOYSA-N 1 2 346.471 3.091 10 30 EGEELO C=CCOc1ccc(C[N@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cc1OC ZINC000353696902 456859143 /nfs/dbraw/zinc/85/91/43/456859143.db2.gz CPGNMWMROHADOR-UHFFFAOYSA-N 1 2 346.471 3.091 10 30 EGEELO CN(CCC#N)C(=O)[C@@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000347018779 457196327 /nfs/dbraw/zinc/19/63/27/457196327.db2.gz IJTXFBJUFFXAGP-MRXNPFEDSA-N 1 2 337.826 3.378 10 30 EGEELO C=C(C)[C@@H](Cc1nc(CCn2c(C)[nH+]c3ccccc32)no1)OCC ZINC000350757504 457206257 /nfs/dbraw/zinc/20/62/57/457206257.db2.gz PRRQIKPQEFCHJD-QGZVFWFLSA-N 1 2 340.427 3.494 10 30 EGEELO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000347284013 457329492 /nfs/dbraw/zinc/32/94/92/457329492.db2.gz CLNBFJSAACBKID-INIZCTEOSA-N 1 2 330.428 3.263 10 30 EGEELO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000347284013 457329496 /nfs/dbraw/zinc/32/94/96/457329496.db2.gz CLNBFJSAACBKID-INIZCTEOSA-N 1 2 330.428 3.263 10 30 EGEELO CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000378589696 457410041 /nfs/dbraw/zinc/41/00/41/457410041.db2.gz MQILTHASIURPET-IAGOWNOFSA-N 1 2 348.491 3.172 10 30 EGEELO Cn1c[nH+]cc1CNc1c(C#N)cnc2c(Br)cccc21 ZINC000357610141 457620425 /nfs/dbraw/zinc/62/04/25/457620425.db2.gz RWGJNYCQKCPLGZ-UHFFFAOYSA-N 1 2 342.200 3.215 10 30 EGEELO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000375390774 457909986 /nfs/dbraw/zinc/90/99/86/457909986.db2.gz JQQIADQDHBMWTK-OAQYLSRUSA-N 1 2 347.418 3.018 10 30 EGEELO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000375390774 457909992 /nfs/dbraw/zinc/90/99/92/457909992.db2.gz JQQIADQDHBMWTK-OAQYLSRUSA-N 1 2 347.418 3.018 10 30 EGEELO C[C@H](C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000369110710 458085516 /nfs/dbraw/zinc/08/55/16/458085516.db2.gz CLOSBPCDHQEXPO-DYVFJYSZSA-N 1 2 337.389 3.481 10 30 EGEELO C[C@H](C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000369110710 458085523 /nfs/dbraw/zinc/08/55/23/458085523.db2.gz CLOSBPCDHQEXPO-DYVFJYSZSA-N 1 2 337.389 3.481 10 30 EGEELO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)CCO2)c1 ZINC000369475888 458229562 /nfs/dbraw/zinc/22/95/62/458229562.db2.gz HEGNZLDTYRDDNO-IBGZPJMESA-N 1 2 334.379 3.115 10 30 EGEELO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CCO2)c1 ZINC000369475888 458229569 /nfs/dbraw/zinc/22/95/69/458229569.db2.gz HEGNZLDTYRDDNO-IBGZPJMESA-N 1 2 334.379 3.115 10 30 EGEELO C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000413101719 458292428 /nfs/dbraw/zinc/29/24/28/458292428.db2.gz GWJAGKBETGNPSZ-SFHVURJKSA-N 1 2 338.455 3.134 10 30 EGEELO COc1ccccc1[C@H](Nc1ccc(C)c(C#N)n1)c1[nH+]ccn1C ZINC000376414802 458294373 /nfs/dbraw/zinc/29/43/73/458294373.db2.gz MDADVBXZLIFRIU-SFHVURJKSA-N 1 2 333.395 3.205 10 30 EGEELO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C(=O)OCC)cn1 ZINC000450299321 458443984 /nfs/dbraw/zinc/44/39/84/458443984.db2.gz PGNAIJLMSJRDDJ-UHFFFAOYSA-N 1 2 335.407 3.318 10 30 EGEELO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C(=O)OCC)cn1 ZINC000450299321 458443996 /nfs/dbraw/zinc/44/39/96/458443996.db2.gz PGNAIJLMSJRDDJ-UHFFFAOYSA-N 1 2 335.407 3.318 10 30 EGEELO CC1(C)CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC[S@]1=O ZINC000451756219 458487511 /nfs/dbraw/zinc/48/75/11/458487511.db2.gz MKCBRYXTRCKQDE-HSZRJFAPSA-N 1 2 343.414 3.290 10 30 EGEELO CC1(C)CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC[S@]1=O ZINC000451756219 458487516 /nfs/dbraw/zinc/48/75/16/458487516.db2.gz MKCBRYXTRCKQDE-HSZRJFAPSA-N 1 2 343.414 3.290 10 30 EGEELO C=C(C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454720495 458572519 /nfs/dbraw/zinc/57/25/19/458572519.db2.gz GAJQUTTVXBYWRM-CVEARBPZSA-N 1 2 339.842 3.490 10 30 EGEELO C=C(C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454720495 458572525 /nfs/dbraw/zinc/57/25/25/458572525.db2.gz GAJQUTTVXBYWRM-CVEARBPZSA-N 1 2 339.842 3.490 10 30 EGEELO C=CCCO[C@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441493318 458954659 /nfs/dbraw/zinc/95/46/59/458954659.db2.gz ASQSYPLBHYRDGH-IEBWSBKVSA-N 1 2 341.455 3.339 10 30 EGEELO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)C[C@H](C)C#N)c(C)c1 ZINC000442249358 458998582 /nfs/dbraw/zinc/99/85/82/458998582.db2.gz KBTMBPOTMRJRBK-QAPCUYQASA-N 1 2 339.443 3.042 10 30 EGEELO Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](CCCC#N)c1ccccc1)CC2 ZINC000590942217 459278290 /nfs/dbraw/zinc/27/82/90/459278290.db2.gz NQDLTHWXWIOKOH-KRWDZBQOSA-N 1 2 337.427 3.152 10 30 EGEELO N#C[C@H](N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000595454333 459308428 /nfs/dbraw/zinc/30/84/28/459308428.db2.gz HWGPTSAPPJODCP-BZSNNMDCSA-N 1 2 333.863 3.138 10 30 EGEELO Cc1oc(NC(=O)C[NH+]2CCC(c3ccco3)CC2)c(C#N)c1C ZINC000595617184 459370571 /nfs/dbraw/zinc/37/05/71/459370571.db2.gz GAEAFVYQNDCGOM-UHFFFAOYSA-N 1 2 327.384 3.179 10 30 EGEELO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000595620403 459372032 /nfs/dbraw/zinc/37/20/32/459372032.db2.gz NGIWEQBPOQTZOL-KRWDZBQOSA-N 1 2 343.475 3.028 10 30 EGEELO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000595620403 459372034 /nfs/dbraw/zinc/37/20/34/459372034.db2.gz NGIWEQBPOQTZOL-KRWDZBQOSA-N 1 2 343.475 3.028 10 30 EGEELO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000595669495 459389292 /nfs/dbraw/zinc/38/92/92/459389292.db2.gz VDTYPCSGRFOWGF-CWVKQELPSA-N 1 2 334.489 3.113 10 30 EGEELO COC(=O)c1conc1C(C)(C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000591856102 459455264 /nfs/dbraw/zinc/45/52/64/459455264.db2.gz HBIQTSAJXXYGRF-UHFFFAOYSA-N 1 2 341.411 3.287 10 30 EGEELO N#Cc1cnccc1C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000592091238 459523271 /nfs/dbraw/zinc/52/32/71/459523271.db2.gz HIPFCEGITKKRHB-HNNXBMFYSA-N 1 2 348.328 3.020 10 30 EGEELO N#Cc1cnccc1C[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000592091238 459523279 /nfs/dbraw/zinc/52/32/79/459523279.db2.gz HIPFCEGITKKRHB-HNNXBMFYSA-N 1 2 348.328 3.020 10 30 EGEELO Cc1cc(NCc2ccc[nH+]c2N2CCCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596355569 459606367 /nfs/dbraw/zinc/60/63/67/459606367.db2.gz FOZVOFFCBGLURD-UHFFFAOYSA-N 1 2 337.383 3.382 10 30 EGEELO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593024337 459743309 /nfs/dbraw/zinc/74/33/09/459743309.db2.gz FKOVYVYYTFMDTE-CQSZACIVSA-N 1 2 343.305 3.010 10 30 EGEELO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593024337 459743315 /nfs/dbraw/zinc/74/33/15/459743315.db2.gz FKOVYVYYTFMDTE-CQSZACIVSA-N 1 2 343.305 3.010 10 30 EGEELO N#Cc1ccc(CC(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)cn1 ZINC000528324379 459803041 /nfs/dbraw/zinc/80/30/41/459803041.db2.gz DHYLFRPUTTVXNB-UHFFFAOYSA-N 1 2 331.379 3.278 10 30 EGEELO C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[C@](C)(C#N)C1 ZINC000585816002 459855366 /nfs/dbraw/zinc/85/53/66/459855366.db2.gz JMIJKUSOWWWIMY-AUUYWEPGSA-N 1 2 337.427 3.029 10 30 EGEELO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593498024 459907595 /nfs/dbraw/zinc/90/75/95/459907595.db2.gz SRNRROHHKBMNNX-RTBURBONSA-N 1 2 348.450 3.060 10 30 EGEELO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597471757 459966054 /nfs/dbraw/zinc/96/60/54/459966054.db2.gz QWYIPBRBRIPPGC-RLCCDNCMSA-N 1 2 337.826 3.280 10 30 EGEELO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597471757 459966062 /nfs/dbraw/zinc/96/60/62/459966062.db2.gz QWYIPBRBRIPPGC-RLCCDNCMSA-N 1 2 337.826 3.280 10 30 EGEELO COc1ccc(C#N)cc1C[N@H+](C)Cc1c(C)cc(C)nc1OC ZINC000598650104 459978160 /nfs/dbraw/zinc/97/81/60/459978160.db2.gz QSPGNJGWIYUKQN-UHFFFAOYSA-N 1 2 325.412 3.219 10 30 EGEELO COc1ccc(C#N)cc1C[N@@H+](C)Cc1c(C)cc(C)nc1OC ZINC000598650104 459978169 /nfs/dbraw/zinc/97/81/69/459978169.db2.gz QSPGNJGWIYUKQN-UHFFFAOYSA-N 1 2 325.412 3.219 10 30 EGEELO CCO[C@@H](C)c1noc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594031878 460064952 /nfs/dbraw/zinc/06/49/52/460064952.db2.gz MVEDSGKFLKZZJK-ZDUSSCGKSA-N 1 2 326.400 3.208 10 30 EGEELO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594059626 460081534 /nfs/dbraw/zinc/08/15/34/460081534.db2.gz XMGMWUVPVFFRNR-AWEZNQCLSA-N 1 2 329.400 3.390 10 30 EGEELO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594059626 460081535 /nfs/dbraw/zinc/08/15/35/460081535.db2.gz XMGMWUVPVFFRNR-AWEZNQCLSA-N 1 2 329.400 3.390 10 30 EGEELO Cc1[nH+]c2ccccc2n1CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597949328 460123936 /nfs/dbraw/zinc/12/39/36/460123936.db2.gz SPWFLAGWTMMEIF-UHFFFAOYSA-N 1 2 332.407 3.268 10 30 EGEELO Cc1cc(C)c(CNC(=O)N2CCc3c(CC#N)cccc3C2)c[nH+]1 ZINC000599071197 460150552 /nfs/dbraw/zinc/15/05/52/460150552.db2.gz QHRMTOCGQVZJSW-UHFFFAOYSA-N 1 2 334.423 3.032 10 30 EGEELO N#Cc1ccc(C2(NC(=O)NCc3ccn4cc[nH+]c4c3)CCC2)cc1 ZINC000594229340 460162084 /nfs/dbraw/zinc/16/20/84/460162084.db2.gz DQBAQWWXAIPFTE-UHFFFAOYSA-N 1 2 345.406 3.085 10 30 EGEELO C[C@H]1C[C@@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)c2[nH+]ccn21 ZINC000594246103 460170258 /nfs/dbraw/zinc/17/02/58/460170258.db2.gz LXRCMUQQLDKUOL-XJKSGUPXSA-N 1 2 335.411 3.139 10 30 EGEELO CCN(C(=O)[C@H]1CCn2cc(C)[nH+]c2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000599153291 460179416 /nfs/dbraw/zinc/17/94/16/460179416.db2.gz UEYUXPQBLBGEIQ-YJBOKZPZSA-N 1 2 336.439 3.235 10 30 EGEELO CCN(C(=O)[C@H]1CCn2cc(C)[nH+]c2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000599153290 460179742 /nfs/dbraw/zinc/17/97/42/460179742.db2.gz UEYUXPQBLBGEIQ-QAPCUYQASA-N 1 2 336.439 3.235 10 30 EGEELO C=C(C)C[NH2+][C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000599593938 460284077 /nfs/dbraw/zinc/28/40/77/460284077.db2.gz HJFFSCBUKWGKLB-MRXNPFEDSA-N 1 2 338.245 3.015 10 30 EGEELO C[C@@H](CCC#N)[N@@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC000599670499 460304057 /nfs/dbraw/zinc/30/40/57/460304057.db2.gz XKRWFLPQPALFIN-ZDUSSCGKSA-N 1 2 339.361 3.042 10 30 EGEELO C[C@@H](CCC#N)[N@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 ZINC000599670499 460304059 /nfs/dbraw/zinc/30/40/59/460304059.db2.gz XKRWFLPQPALFIN-ZDUSSCGKSA-N 1 2 339.361 3.042 10 30 EGEELO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679471 460308307 /nfs/dbraw/zinc/30/83/07/460308307.db2.gz TYRRGVPHQVYUKR-CQSZACIVSA-N 1 2 345.406 3.317 10 30 EGEELO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679471 460308311 /nfs/dbraw/zinc/30/83/11/460308311.db2.gz TYRRGVPHQVYUKR-CQSZACIVSA-N 1 2 345.406 3.317 10 30 EGEELO CCOc1ccccc1NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686304 460311187 /nfs/dbraw/zinc/31/11/87/460311187.db2.gz POZLRKMLTRGKDI-UHFFFAOYSA-N 1 2 349.434 3.148 10 30 EGEELO CCOc1ccccc1NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686304 460311190 /nfs/dbraw/zinc/31/11/90/460311190.db2.gz POZLRKMLTRGKDI-UHFFFAOYSA-N 1 2 349.434 3.148 10 30 EGEELO N#CC1(NC(=O)C[NH2+]C2(c3c(F)cccc3F)CCC2)CCCCC1 ZINC000599701109 460315878 /nfs/dbraw/zinc/31/58/78/460315878.db2.gz WLJGWXGWNTVUAH-UHFFFAOYSA-N 1 2 347.409 3.276 10 30 EGEELO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502148 460379416 /nfs/dbraw/zinc/37/94/16/460379416.db2.gz OACUHCFFUHBEQR-PMPSAXMXSA-N 1 2 347.434 3.010 10 30 EGEELO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502148 460379420 /nfs/dbraw/zinc/37/94/20/460379420.db2.gz OACUHCFFUHBEQR-PMPSAXMXSA-N 1 2 347.434 3.010 10 30 EGEELO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1C#N ZINC000611578651 460408559 /nfs/dbraw/zinc/40/85/59/460408559.db2.gz QQNCMXFJRMXICL-OAHLLOKOSA-N 1 2 346.381 3.256 10 30 EGEELO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1C#N ZINC000611578651 460408564 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C=C[C@](C)(CC)C(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001330048422 1389293866 /nfs/dbraw/zinc/29/38/66/1389293866.db2.gz PJOIAXFOXDJCKU-FZKQIMNGSA-N 1 2 335.879 3.274 10 30 EGEELO C=C[C@](C)(CC)C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001330048425 1389294221 /nfs/dbraw/zinc/29/42/21/1389294221.db2.gz PJOIAXFOXDJCKU-SCLBCKFNSA-N 1 2 335.879 3.274 10 30 EGEELO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2cccs2)C(C)(C)C1 ZINC001330243664 1389361376 /nfs/dbraw/zinc/36/13/76/1389361376.db2.gz HRTJNXGIUXHZKO-AWEZNQCLSA-N 1 2 326.893 3.260 10 30 EGEELO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2cccs2)C(C)(C)C1 ZINC001330243664 1389361380 /nfs/dbraw/zinc/36/13/80/1389361380.db2.gz HRTJNXGIUXHZKO-AWEZNQCLSA-N 1 2 326.893 3.260 10 30 EGEELO C=CCC1(C(=O)N(C)C[C@H](C)[NH2+]Cc2nnc(C(C)C)o2)CCCC1 ZINC001331662839 1389849619 /nfs/dbraw/zinc/84/96/19/1389849619.db2.gz HIYVIKYCNIZEAE-HNNXBMFYSA-N 1 2 348.491 3.266 10 30 EGEELO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC001332180440 1390024481 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1390898951 /nfs/dbraw/zinc/89/89/51/1390898951.db2.gz ACFRDUXKYMGZTQ-UHFFFAOYSA-N 1 2 347.482 3.169 10 30 EGEELO C#C[C@@H](CCC)NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001346319281 1390921883 /nfs/dbraw/zinc/92/18/83/1390921883.db2.gz RIAOAMNUFHMAQB-CVEARBPZSA-N 1 2 330.476 3.329 10 30 EGEELO CNc1cc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc[nH+]1 ZINC001348264564 1391194862 /nfs/dbraw/zinc/19/48/62/1391194862.db2.gz QAKVXFPMTOUMIM-ZWKOTPCHSA-N 1 2 349.438 3.105 10 30 EGEELO C=CCN(CC=C)c1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC001354356649 1392139838 /nfs/dbraw/zinc/13/98/38/1392139838.db2.gz DYHYTAMFMKNXFO-UHFFFAOYSA-N 1 2 337.471 3.101 10 30 EGEELO C=C(Br)C[N@@H+](C)CCCNC(=O)c1ccc(CC)s1 ZINC001479783444 1392386086 /nfs/dbraw/zinc/38/60/86/1392386086.db2.gz UXRYEHADADORGQ-UHFFFAOYSA-N 1 2 345.306 3.271 10 30 EGEELO C=C(Br)C[N@H+](C)CCCNC(=O)c1ccc(CC)s1 ZINC001479783444 1392386092 /nfs/dbraw/zinc/38/60/92/1392386092.db2.gz UXRYEHADADORGQ-UHFFFAOYSA-N 1 2 345.306 3.271 10 30 EGEELO C=C(Br)C[N@@H+](C)CCCNC(=O)C1(CCC)CCC1 ZINC001479791006 1392391563 /nfs/dbraw/zinc/39/15/63/1392391563.db2.gz ZSABANDOCYMOKE-UHFFFAOYSA-N 1 2 331.298 3.304 10 30 EGEELO C=C(Br)C[N@H+](C)CCCNC(=O)C1(CCC)CCC1 ZINC001479791006 1392391566 /nfs/dbraw/zinc/39/15/66/1392391566.db2.gz ZSABANDOCYMOKE-UHFFFAOYSA-N 1 2 331.298 3.304 10 30 EGEELO C#CCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cncs3)C2)CCCCC1 ZINC001479915456 1392483781 /nfs/dbraw/zinc/48/37/81/1392483781.db2.gz WXCSPCHFBRUAFQ-INIZCTEOSA-N 1 2 345.512 3.198 10 30 EGEELO C#CCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cncs3)C2)CCCCC1 ZINC001479915456 1392483782 /nfs/dbraw/zinc/48/37/82/1392483782.db2.gz WXCSPCHFBRUAFQ-INIZCTEOSA-N 1 2 345.512 3.198 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001479961310 1392496537 /nfs/dbraw/zinc/49/65/37/1392496537.db2.gz BYWKWGALGJJGDI-HNNXBMFYSA-N 1 2 336.838 3.363 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001479961310 1392496539 /nfs/dbraw/zinc/49/65/39/1392496539.db2.gz BYWKWGALGJJGDI-HNNXBMFYSA-N 1 2 336.838 3.363 10 30 EGEELO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)CCC ZINC001480311656 1392672583 /nfs/dbraw/zinc/67/25/83/1392672583.db2.gz HJUFCVMZNTVLJE-JSGCOSHPSA-N 1 2 331.298 3.302 10 30 EGEELO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)CCC ZINC001480311656 1392672587 /nfs/dbraw/zinc/67/25/87/1392672587.db2.gz HJUFCVMZNTVLJE-JSGCOSHPSA-N 1 2 331.298 3.302 10 30 EGEELO CC(C)[C@@H](F)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001480322923 1392683607 /nfs/dbraw/zinc/68/36/07/1392683607.db2.gz HKHKEBCLRBJDBW-QZTJIDSGSA-N 1 2 331.435 3.023 10 30 EGEELO CC(C)[C@@H](F)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001480322923 1392683608 /nfs/dbraw/zinc/68/36/08/1392683608.db2.gz HKHKEBCLRBJDBW-QZTJIDSGSA-N 1 2 331.435 3.023 10 30 EGEELO CC(C)c1ocnc1C[N@H+](C)[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001480725797 1392886868 /nfs/dbraw/zinc/88/68/68/1392886868.db2.gz XECIZCQJRRXVBN-MRXNPFEDSA-N 1 2 345.487 3.270 10 30 EGEELO CC(C)c1ocnc1C[N@@H+](C)[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001480725797 1392886873 /nfs/dbraw/zinc/88/68/73/1392886873.db2.gz XECIZCQJRRXVBN-MRXNPFEDSA-N 1 2 345.487 3.270 10 30 EGEELO C=C(Cl)C[N@H+](CC)CCNC(=O)c1sc(C(C)C)nc1C ZINC001481016564 1393092558 /nfs/dbraw/zinc/09/25/58/1393092558.db2.gz NTKGVAYKUZBDER-UHFFFAOYSA-N 1 2 329.897 3.379 10 30 EGEELO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1sc(C(C)C)nc1C ZINC001481016564 1393092565 /nfs/dbraw/zinc/09/25/65/1393092565.db2.gz NTKGVAYKUZBDER-UHFFFAOYSA-N 1 2 329.897 3.379 10 30 EGEELO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nccn2C)CCCCC1 ZINC001481072621 1393113628 /nfs/dbraw/zinc/11/36/28/1393113628.db2.gz VMKQIUJEXBXXFK-KRWDZBQOSA-N 1 2 344.503 3.027 10 30 EGEELO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nccn2C)CCCCC1 ZINC001481072621 1393113630 /nfs/dbraw/zinc/11/36/30/1393113630.db2.gz VMKQIUJEXBXXFK-KRWDZBQOSA-N 1 2 344.503 3.027 10 30 EGEELO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2Cc2nccc(C)n2)CCCC1 ZINC001481073736 1393113776 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334.410 3.218 10 30 EGEELO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001481742010 1394488182 /nfs/dbraw/zinc/48/81/82/1394488182.db2.gz AUXAFWGUTDCLSJ-OAHLLOKOSA-N 1 2 335.517 3.341 10 30 EGEELO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2csc(CC)n2)C1 ZINC001481742010 1394488185 /nfs/dbraw/zinc/48/81/85/1394488185.db2.gz AUXAFWGUTDCLSJ-OAHLLOKOSA-N 1 2 335.517 3.341 10 30 EGEELO C=CCCCC(=O)N1CCC2(C[NH+](Cc3ncc(C)s3)C2)CC1 ZINC001482242744 1394839748 /nfs/dbraw/zinc/83/97/48/1394839748.db2.gz DKUQDVHGYMUYGN-UHFFFAOYSA-N 1 2 333.501 3.232 10 30 EGEELO C=CCC1(C(=O)N(C)[C@@H](C)C[NH2+]Cc2nnc(C(C)(C)C)o2)CCC1 ZINC001482327584 1394896413 /nfs/dbraw/zinc/89/64/13/1394896413.db2.gz MGOYYOUGTBGHEG-AWEZNQCLSA-N 1 2 348.491 3.050 10 30 EGEELO C#CCN(C(=O)C[C@@H](C)CCC)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001483980967 1395173173 /nfs/dbraw/zinc/17/31/73/1395173173.db2.gz QOHZUNXMYXUQHI-INIZCTEOSA-N 1 2 345.487 3.236 10 30 EGEELO C[C@H](C#N)C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 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C[C@H](C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1)[C@H](C)C(C)(C)C ZINC001692340379 1405960210 /nfs/dbraw/zinc/96/02/10/1405960210.db2.gz WCVYJBYCKUUXRT-HOTGVXAUSA-N 1 2 341.499 3.425 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2nc(C)sc2C)[C@@H]1C ZINC001692382753 1405989220 /nfs/dbraw/zinc/98/92/20/1405989220.db2.gz BEQWKWADFJHNRQ-DOMZBBRYSA-N 1 2 335.517 3.441 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)sc2C)[C@@H]1C ZINC001692382753 1405989222 /nfs/dbraw/zinc/98/92/22/1405989222.db2.gz BEQWKWADFJHNRQ-DOMZBBRYSA-N 1 2 335.517 3.441 10 30 EGEELO C#CC[NH2+][C@H](CNC(=O)C(F)C(F)(F)F)c1ccc(C(C)C)cc1 ZINC001732018386 1428235362 /nfs/dbraw/zinc/23/53/62/1428235362.db2.gz VSNBDAHPHPQHBL-CABCVRRESA-N 1 2 344.352 3.091 10 30 EGEELO C#CC[NH2+][C@H](CNC(=O)[C@H](F)C(F)(F)F)c1ccc(C(C)C)cc1 ZINC001732018386 1428235365 /nfs/dbraw/zinc/23/53/65/1428235365.db2.gz VSNBDAHPHPQHBL-CABCVRRESA-N 1 2 344.352 3.091 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001732164489 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FEDWUSSFJDTTPW-ROUUACIJSA-N 1 2 348.462 3.306 10 30 EGEELO C=CC(C)(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2noc(C(C)C)n2)C1 ZINC001733650603 1429843587 /nfs/dbraw/zinc/84/35/87/1429843587.db2.gz MPHDBOQGCDGXSB-HNNXBMFYSA-N 1 2 348.491 3.124 10 30 EGEELO O=C(CCCc1ccccc1)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001699635945 1413009918 /nfs/dbraw/zinc/00/99/18/1413009918.db2.gz ZBPCOAZOPITOFO-QFIPXVFZSA-N 1 2 346.474 3.252 10 30 EGEELO O=C(CCCc1ccccc1)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001699635945 1413009925 /nfs/dbraw/zinc/00/99/25/1413009925.db2.gz ZBPCOAZOPITOFO-QFIPXVFZSA-N 1 2 346.474 3.252 10 30 EGEELO C=CCCOCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)c1ccccc1Cl ZINC001699640135 1413018929 /nfs/dbraw/zinc/01/89/29/1413018929.db2.gz JDWVEMBDDMRMPV-HUUCEWRRSA-N 1 2 336.863 3.184 10 30 EGEELO C=CCCOCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)c1ccccc1Cl ZINC001699640135 1413018932 /nfs/dbraw/zinc/01/89/32/1413018932.db2.gz JDWVEMBDDMRMPV-HUUCEWRRSA-N 1 2 336.863 3.184 10 30 EGEELO C=C[C@H](CC)CC(=O)NC1(C)CC[NH+](Cc2nnc(C(C)C)o2)CC1 ZINC001699772695 1413180175 /nfs/dbraw/zinc/18/01/75/1413180175.db2.gz RQJOLBXATWPAHA-OAHLLOKOSA-N 1 2 348.491 3.266 10 30 EGEELO C#CCN(C(=O)/C=C/C(C)(C)C)C1CC[NH+](Cc2cscn2)CC1 ZINC001699780349 1413188033 /nfs/dbraw/zinc/18/80/33/1413188033.db2.gz SIMBCHBHTILMOF-RMKNXTFCSA-N 1 2 345.512 3.172 10 30 EGEELO C#CCN(C(=O)[C@H](C)CCCC)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001699781420 1413188624 /nfs/dbraw/zinc/18/86/24/1413188624.db2.gz BFZMOAGLCOTGSW-MRXNPFEDSA-N 1 2 345.487 3.236 10 30 EGEELO C=CCCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C(C)C)no1 ZINC001700125179 1413540906 /nfs/dbraw/zinc/54/09/06/1413540906.db2.gz MCMTVTGSAFMWSF-OAHLLOKOSA-N 1 2 334.464 3.020 10 30 EGEELO C[C@H]1C[C@H](NC(=O)CC2(C)CC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001700315458 1413773124 /nfs/dbraw/zinc/77/31/24/1413773124.db2.gz HSPMMCWOJDOUEC-KBXCAEBGSA-N 1 2 343.446 3.357 10 30 EGEELO C[C@H]1C[C@H](NC(=O)CC2(C)CC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001700315458 1413773127 /nfs/dbraw/zinc/77/31/27/1413773127.db2.gz HSPMMCWOJDOUEC-KBXCAEBGSA-N 1 2 343.446 3.357 10 30 EGEELO O=C(C#CC1CC1)NC[C@H]1CCCCC[N@H+]1C/C(Cl)=C\Cl ZINC001700523919 1414182109 /nfs/dbraw/zinc/18/21/09/1414182109.db2.gz BISREVFMSKRLNJ-YVGNARHYSA-N 1 2 329.271 3.080 10 30 EGEELO O=C(C#CC1CC1)NC[C@H]1CCCCC[N@@H+]1C/C(Cl)=C\Cl ZINC001700523919 1414182114 /nfs/dbraw/zinc/18/21/14/1414182114.db2.gz BISREVFMSKRLNJ-YVGNARHYSA-N 1 2 329.271 3.080 10 30 EGEELO C=C[C@H](CC)CC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1nccc(C)n1 ZINC001700529331 1414194921 /nfs/dbraw/zinc/19/49/21/1414194921.db2.gz TTWYGJGYQDVHRN-QZTJIDSGSA-N 1 2 344.503 3.248 10 30 EGEELO C=C[C@H](CC)CC(=O)NC[C@H]1CCCCC[N@H+]1Cc1nccc(C)n1 ZINC001700529331 1414194924 /nfs/dbraw/zinc/19/49/24/1414194924.db2.gz TTWYGJGYQDVHRN-QZTJIDSGSA-N 1 2 344.503 3.248 10 30 EGEELO C[C@H](NC(=O)C#CC(C)(C)C)C1C[NH+](Cc2ccc(Cl)s2)C1 ZINC001700539310 1414206652 /nfs/dbraw/zinc/20/66/52/1414206652.db2.gz SOOJLLNIVWPAFR-LBPRGKRZSA-N 1 2 338.904 3.388 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)cs2)CC1(C)C ZINC001700575087 1414249040 /nfs/dbraw/zinc/24/90/40/1414249040.db2.gz GNCCFMIMXPVGOA-CQSZACIVSA-N 1 2 335.517 3.380 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)cs2)CC1(C)C ZINC001700575087 1414249047 /nfs/dbraw/zinc/24/90/47/1414249047.db2.gz GNCCFMIMXPVGOA-CQSZACIVSA-N 1 2 335.517 3.380 10 30 EGEELO C=CC1(CC(=O)N2CC[C@@H]([NH2+]Cc3cnsn3)[C@H]2C)CCCCC1 ZINC001700822803 1414478468 /nfs/dbraw/zinc/47/84/68/1414478468.db2.gz LLPPIIYOVCOVAB-GDBMZVCRSA-N 1 2 348.516 3.144 10 30 EGEELO C=CC1(CC(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C[C@@H]2C)CCCCC1 ZINC001700846886 1414495966 /nfs/dbraw/zinc/49/59/66/1414495966.db2.gz KGCYMMYYZSRLKF-GJZGRUSLSA-N 1 2 348.516 3.144 10 30 EGEELO Cc1cnc([C@H](C)[N@@H+](C)CCN(C(=O)C#CC(C)(C)C)C(C)C)o1 ZINC001700970970 1414596423 /nfs/dbraw/zinc/59/64/23/1414596423.db2.gz HGJVIDYILMAQKT-INIZCTEOSA-N 1 2 333.476 3.262 10 30 EGEELO Cc1cnc([C@H](C)[N@H+](C)CCN(C(=O)C#CC(C)(C)C)C(C)C)o1 ZINC001700970970 1414596427 /nfs/dbraw/zinc/59/64/27/1414596427.db2.gz HGJVIDYILMAQKT-INIZCTEOSA-N 1 2 333.476 3.262 10 30 EGEELO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC001701062591 1414719233 /nfs/dbraw/zinc/71/92/33/1414719233.db2.gz HPEICOTVDIQGEG-HNNXBMFYSA-N 1 2 332.875 3.366 10 30 EGEELO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC001701062591 1414719236 /nfs/dbraw/zinc/71/92/36/1414719236.db2.gz HPEICOTVDIQGEG-HNNXBMFYSA-N 1 2 332.875 3.366 10 30 EGEELO C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001701218941 1414889382 /nfs/dbraw/zinc/88/93/82/1414889382.db2.gz SLEODDFMNIFWFW-NVXWUHKLSA-N 1 2 345.487 3.186 10 30 EGEELO C=CCCCC(=O)N1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)[C@H]1C ZINC001701737192 1415222086 /nfs/dbraw/zinc/22/20/86/1415222086.db2.gz LBFIUSPOISFTQB-IAGOWNOFSA-N 1 2 343.471 3.082 10 30 EGEELO C=CC(C)(C)C(=O)NC/C=C/C[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC001732885771 1429027585 /nfs/dbraw/zinc/02/75/85/1429027585.db2.gz MEWNCJVUIURSIV-BQYQJAHWSA-N 1 2 345.487 3.164 10 30 EGEELO C=C1CCC(C(=O)N[C@H](C)C[NH2+]Cc2nc(C3CCCC3)no2)CC1 ZINC001732969883 1429094673 /nfs/dbraw/zinc/09/46/73/1429094673.db2.gz VMOQSPYZPDHIOY-CQSZACIVSA-N 1 2 346.475 3.068 10 30 EGEELO C=C(C)C(C)(C)C(=O)NC[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001704786164 1416746831 /nfs/dbraw/zinc/74/68/31/1416746831.db2.gz OMZANJCDAMFWLW-CYBMUJFWSA-N 1 2 345.487 3.091 10 30 EGEELO C=CCCC(=O)N[C@H](C)C[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC001733029022 1429148149 /nfs/dbraw/zinc/14/81/49/1429148149.db2.gz GHABFCYJVHJJOV-CYBMUJFWSA-N 1 2 333.457 3.306 10 30 EGEELO C=CCCC(=O)N[C@H](C)C[N@@H+](C)Cc1csc(-c2ccco2)n1 ZINC001733029022 1429148153 /nfs/dbraw/zinc/14/81/53/1429148153.db2.gz GHABFCYJVHJJOV-CYBMUJFWSA-N 1 2 333.457 3.306 10 30 EGEELO C=CCN(C)c1nnc(C2CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001705842308 1417138126 /nfs/dbraw/zinc/13/81/26/1417138126.db2.gz NBCNOSOXUCXBNB-UHFFFAOYSA-N 1 2 334.427 3.012 10 30 EGEELO CC#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(OC)c(F)c1 ZINC001707047007 1417158852 /nfs/dbraw/zinc/15/88/52/1417158852.db2.gz ASLVRNSSEUHNAS-KRWDZBQOSA-N 1 2 346.446 3.061 10 30 EGEELO CC#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(F)c1 ZINC001707047007 1417158853 /nfs/dbraw/zinc/15/88/53/1417158853.db2.gz ASLVRNSSEUHNAS-KRWDZBQOSA-N 1 2 346.446 3.061 10 30 EGEELO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)CC1CC(C)(C)C1 ZINC001707051803 1417164694 /nfs/dbraw/zinc/16/46/94/1417164694.db2.gz SXELEAUJYPVLAV-OAHLLOKOSA-N 1 2 345.512 3.479 10 30 EGEELO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)CC1CC(C)(C)C1 ZINC001707051803 1417164698 /nfs/dbraw/zinc/16/46/98/1417164698.db2.gz SXELEAUJYPVLAV-OAHLLOKOSA-N 1 2 345.512 3.479 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2ncc(C(C)C)o2)[C@@H]1CC ZINC001707199933 1417241211 /nfs/dbraw/zinc/24/12/11/1417241211.db2.gz FNKWJKWHTUGWSI-DLBZAZTESA-N 1 2 345.487 3.461 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)[C@@H]1CC ZINC001707199933 1417241215 /nfs/dbraw/zinc/24/12/15/1417241215.db2.gz FNKWJKWHTUGWSI-DLBZAZTESA-N 1 2 345.487 3.461 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccns3)C2)CCCCC1 ZINC001713089162 1417636437 /nfs/dbraw/zinc/63/64/37/1417636437.db2.gz HQIUUWFKNARYEE-OAHLLOKOSA-N 1 2 333.501 3.360 10 30 EGEELO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccns3)C2)CCCCC1 ZINC001713089162 1417636438 /nfs/dbraw/zinc/63/64/38/1417636438.db2.gz HQIUUWFKNARYEE-OAHLLOKOSA-N 1 2 333.501 3.360 10 30 EGEELO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)OC1CCCC1 ZINC001713257544 1417860730 /nfs/dbraw/zinc/86/07/30/1417860730.db2.gz DZIWKFALCPLYAE-NVXWUHKLSA-N 1 2 342.911 3.447 10 30 EGEELO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)OC1CCCC1 ZINC001713257544 1417860734 /nfs/dbraw/zinc/86/07/34/1417860734.db2.gz DZIWKFALCPLYAE-NVXWUHKLSA-N 1 2 342.911 3.447 10 30 EGEELO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001713495302 1418200701 /nfs/dbraw/zinc/20/07/01/1418200701.db2.gz BNTPDZSUVHKZOL-OAHLLOKOSA-N 1 2 327.255 3.170 10 30 EGEELO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001713495302 1418200703 /nfs/dbraw/zinc/20/07/03/1418200703.db2.gz BNTPDZSUVHKZOL-OAHLLOKOSA-N 1 2 327.255 3.170 10 30 EGEELO CCC[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001713503937 1418223524 /nfs/dbraw/zinc/22/35/24/1418223524.db2.gz ZXVDVBWKKDUWMI-KSSFIOAISA-N 1 2 331.435 3.214 10 30 EGEELO CCC[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001713503937 1418223526 /nfs/dbraw/zinc/22/35/26/1418223526.db2.gz ZXVDVBWKKDUWMI-KSSFIOAISA-N 1 2 331.435 3.214 10 30 EGEELO C#CCCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001713505219 1418226082 /nfs/dbraw/zinc/22/60/82/1418226082.db2.gz XPRQWSHYVDTOFL-MRXNPFEDSA-N 1 2 333.863 3.009 10 30 EGEELO C#CCCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001713505219 1418226090 /nfs/dbraw/zinc/22/60/90/1418226090.db2.gz XPRQWSHYVDTOFL-MRXNPFEDSA-N 1 2 333.863 3.009 10 30 EGEELO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](OCC)c1ccccc1 ZINC001713520148 1418261219 /nfs/dbraw/zinc/26/12/19/1418261219.db2.gz OWPRIRFMWRQYTR-SJORKVTESA-N 1 2 336.863 3.097 10 30 EGEELO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](OCC)c1ccccc1 ZINC001713520148 1418261223 /nfs/dbraw/zinc/26/12/23/1418261223.db2.gz OWPRIRFMWRQYTR-SJORKVTESA-N 1 2 336.863 3.097 10 30 EGEELO CC/C(C)=C/C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001713556187 1418348730 /nfs/dbraw/zinc/34/87/30/1418348730.db2.gz DVPJAJCNRAHKRL-GXDHUFHOSA-N 1 2 329.419 3.134 10 30 EGEELO CC/C(C)=C/C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001713556187 1418348732 /nfs/dbraw/zinc/34/87/32/1418348732.db2.gz DVPJAJCNRAHKRL-GXDHUFHOSA-N 1 2 329.419 3.134 10 30 EGEELO CC[C@@H](C)[C@@H](C)C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001713563865 1418369546 /nfs/dbraw/zinc/36/95/46/1418369546.db2.gz CHNXVAOSKTZFJF-HZPDHXFCSA-N 1 2 327.472 3.321 10 30 EGEELO CC[C@@H](C)[C@@H](C)C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001713563865 1418369551 /nfs/dbraw/zinc/36/95/51/1418369551.db2.gz CHNXVAOSKTZFJF-HZPDHXFCSA-N 1 2 327.472 3.321 10 30 EGEELO C=CC(C)(C)CC(=O)N(CCC)[C@H]1CC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001713717801 1418485359 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344.381 3.234 10 30 EGEELO CN(C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000329789799 456941163 /nfs/dbraw/zinc/94/11/63/456941163.db2.gz CIZZYBIGRZDJQJ-WDMOLILDSA-N 1 2 344.381 3.234 10 30 EGEELO C=CCOc1ccc(C[N@@H+](C)Cc2nc([C@@H](C)OCC)no2)cc1 ZINC000353974182 456985264 /nfs/dbraw/zinc/98/52/64/456985264.db2.gz RRLMLJBQBFXHLY-CQSZACIVSA-N 1 2 331.416 3.364 10 30 EGEELO C=CCOc1ccc(C[N@H+](C)Cc2nc([C@@H](C)OCC)no2)cc1 ZINC000353974182 456985266 /nfs/dbraw/zinc/98/52/66/456985266.db2.gz RRLMLJBQBFXHLY-CQSZACIVSA-N 1 2 331.416 3.364 10 30 EGEELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000330525425 457053500 /nfs/dbraw/zinc/05/35/00/457053500.db2.gz VGMRVALKSFNBQZ-CABCVRRESA-N 1 2 336.480 3.136 10 30 EGEELO Cn1cc[nH+]c1CNc1c(Br)cc(Cl)cc1C#N ZINC000342084769 457099640 /nfs/dbraw/zinc/09/96/40/457099640.db2.gz JJBVUPLLTLAQNL-UHFFFAOYSA-N 1 2 325.597 3.320 10 30 EGEELO C=C(C)[C@H](Cc1nc(CCn2c(C)[nH+]c3ccccc32)no1)OCC ZINC000350757503 457206379 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3.130 10 30 EGEELO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCOCC[C@@H]1C ZINC000378465986 457400915 /nfs/dbraw/zinc/40/09/15/457400915.db2.gz YUIYRWJYERIJHU-GJZGRUSLSA-N 1 2 347.484 3.130 10 30 EGEELO Cc1cc(C#N)cc(N2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000342631357 457415486 /nfs/dbraw/zinc/41/54/86/457415486.db2.gz DRLMJJUNUYETOC-UHFFFAOYSA-N 1 2 326.831 3.237 10 30 EGEELO N#Cc1csc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)n1 ZINC000356413948 457613406 /nfs/dbraw/zinc/61/34/06/457613406.db2.gz BFSDOKPOTMPBLS-UHFFFAOYSA-N 1 2 341.362 3.067 10 30 EGEELO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCOCC[C@@H]2C)ccc1Cl ZINC000375001619 457750892 /nfs/dbraw/zinc/75/08/92/457750892.db2.gz CLUCVDHKJVWWGJ-HNNXBMFYSA-N 1 2 349.862 3.006 10 30 EGEELO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCOCC[C@@H]2C)ccc1Cl ZINC000375001619 457750898 /nfs/dbraw/zinc/75/08/98/457750898.db2.gz CLUCVDHKJVWWGJ-HNNXBMFYSA-N 1 2 349.862 3.006 10 30 EGEELO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC(CC)CC ZINC000411191946 457825464 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458328242 /nfs/dbraw/zinc/32/82/42/458328242.db2.gz GJRIXBUHQBVMAN-UHFFFAOYSA-N 1 2 339.395 3.158 10 30 EGEELO C=CCCCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000448372216 458400503 /nfs/dbraw/zinc/40/05/03/458400503.db2.gz BQCXXEJGYBUFGB-UHFFFAOYSA-N 1 2 339.395 3.203 10 30 EGEELO C[C@@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1cccc(C#N)c1 ZINC000437077359 458425239 /nfs/dbraw/zinc/42/52/39/458425239.db2.gz OAUGQTKPMWUOEA-CQSZACIVSA-N 1 2 335.386 3.188 10 30 EGEELO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3C[C@H]2CS3)ccc1Cl ZINC000459794679 458481581 /nfs/dbraw/zinc/48/15/81/458481581.db2.gz NHJVEZQTSHSLIX-GJZGRUSLSA-N 1 2 349.887 3.085 10 30 EGEELO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3C[C@H]2CS3)ccc1Cl ZINC000459794679 458481583 /nfs/dbraw/zinc/48/15/83/458481583.db2.gz NHJVEZQTSHSLIX-GJZGRUSLSA-N 1 2 349.887 3.085 10 30 EGEELO CN(C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000451847086 458488316 /nfs/dbraw/zinc/48/83/16/458488316.db2.gz XOOOLZBJPAYQGT-SFHVURJKSA-N 1 2 341.455 3.491 10 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Cc1ccc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1C#N ZINC000599352394 460235946 /nfs/dbraw/zinc/23/59/46/460235946.db2.gz ACTZUQSYEHAVDE-UHFFFAOYSA-N 1 2 327.472 3.336 10 30 EGEELO C=CC[C@H]1CC[N@@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000625703906 460240099 /nfs/dbraw/zinc/24/00/99/460240099.db2.gz LWDOKXWLNYJACU-LBPRGKRZSA-N 1 2 346.431 3.328 10 30 EGEELO C=CC[C@H]1CC[N@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000625703906 460240101 /nfs/dbraw/zinc/24/01/01/460240101.db2.gz LWDOKXWLNYJACU-LBPRGKRZSA-N 1 2 346.431 3.328 10 30 EGEELO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccnc(C#N)c1 ZINC000610991701 460272680 /nfs/dbraw/zinc/27/26/80/460272680.db2.gz MKOKCEFZGJKBBI-UHFFFAOYSA-N 1 2 349.221 3.331 10 30 EGEELO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccnc(C#N)c1 ZINC000610991701 460272684 /nfs/dbraw/zinc/27/26/84/460272684.db2.gz MKOKCEFZGJKBBI-UHFFFAOYSA-N 1 2 349.221 3.331 10 30 EGEELO C=CCOc1ccc(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC000635913968 460971974 /nfs/dbraw/zinc/97/19/74/460971974.db2.gz FHNZIWDZXMFNBX-GOSISDBHSA-N 1 2 327.428 3.352 10 30 EGEELO C=CC[C@@H]1CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000660382021 461744621 /nfs/dbraw/zinc/74/46/21/461744621.db2.gz PFPZQDCLECUKDU-CYBMUJFWSA-N 1 2 332.835 3.485 10 30 EGEELO C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000660439937 461780105 /nfs/dbraw/zinc/78/01/05/461780105.db2.gz XCAAAAQLWGZMMK-FUHWJXTLSA-N 1 2 342.487 3.485 10 30 EGEELO C=CC[C@@H]1CCCC[C@H]1Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000664144261 461958327 /nfs/dbraw/zinc/95/83/27/461958327.db2.gz IGEGDKWGKYNQRW-GVDBMIGSSA-N 1 2 330.476 3.232 10 30 EGEELO C=CC[C@@H]1CCCC[C@H]1Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000664144261 461958332 /nfs/dbraw/zinc/95/83/32/461958332.db2.gz IGEGDKWGKYNQRW-GVDBMIGSSA-N 1 2 330.476 3.232 10 30 EGEELO C=CCCC1(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CCCC1 ZINC000661531545 462295975 /nfs/dbraw/zinc/29/59/75/462295975.db2.gz RBABLLVYQAITBZ-QZTJIDSGSA-N 1 2 349.519 3.018 10 30 EGEELO Cc1ncc(C[NH+]2CCN(Cc3ccc(Cl)cc3C#N)CC2)s1 ZINC000186965969 534738135 /nfs/dbraw/zinc/73/81/35/534738135.db2.gz NVYFRQHEOYYAAF-UHFFFAOYSA-N 1 2 346.887 3.294 10 30 EGEELO C(#Cc1ccccc1)C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000677168291 549221153 /nfs/dbraw/zinc/22/11/53/549221153.db2.gz FRRZBMUIFZEMDC-UHFFFAOYSA-N 1 2 333.460 3.470 10 30 EGEELO C=CCOCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000679487125 549718804 /nfs/dbraw/zinc/71/88/04/549718804.db2.gz XTCGYVOGPYVIKD-UHFFFAOYSA-N 1 2 349.431 3.259 10 30 EGEELO C[C@H](O[NH+]=C(N)c1ccc(Cl)cc1)C(=O)N(C)C1CCCCC1 ZINC000727487275 574670504 /nfs/dbraw/zinc/67/05/04/574670504.db2.gz LKNYABNSELVTIR-LBPRGKRZSA-N 1 2 337.851 3.157 10 30 EGEELO COc1ccc(OCCCO[NH+]=C(N)c2ccc(Cl)cc2)cc1 ZINC000727487420 574670726 /nfs/dbraw/zinc/67/07/26/574670726.db2.gz UBCZTABRMLIHJE-UHFFFAOYSA-N 1 2 334.803 3.455 10 30 EGEELO CCC(CC)C[N@H+](CCC#N)Cn1ncc2cc(C(=O)OC)ccc21 ZINC000729472172 574863882 /nfs/dbraw/zinc/86/38/82/574863882.db2.gz WXPKTURUSRTGLO-UHFFFAOYSA-N 1 2 342.443 3.432 10 30 EGEELO CCC(CC)C[N@@H+](CCC#N)Cn1ncc2cc(C(=O)OC)ccc21 ZINC000729472172 574863885 /nfs/dbraw/zinc/86/38/85/574863885.db2.gz WXPKTURUSRTGLO-UHFFFAOYSA-N 1 2 342.443 3.432 10 30 EGEELO C=CC(C)(C)CCCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000878973538 1300296400 /nfs/dbraw/zinc/29/64/00/1300296400.db2.gz WLQVAYBDWYNVLN-UHFFFAOYSA-N 1 2 346.475 3.341 10 30 EGEELO C#CC[N@@H+](Cc1csc(C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426381 1303463784 /nfs/dbraw/zinc/46/37/84/1303463784.db2.gz VAVQDYZXZOBMRG-UHFFFAOYSA-N 1 2 349.500 3.286 10 30 EGEELO C#CC[N@H+](Cc1csc(C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426381 1303463790 /nfs/dbraw/zinc/46/37/90/1303463790.db2.gz VAVQDYZXZOBMRG-UHFFFAOYSA-N 1 2 349.500 3.286 10 30 EGEELO C#CC[C@H]1CCCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000890243323 1304722366 /nfs/dbraw/zinc/72/23/66/1304722366.db2.gz IMLYJIZKWWFZQH-PKOBYXMFSA-N 1 2 336.439 3.069 10 30 EGEELO C=C1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000893922593 1306131650 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3.033 10 30 EGEELO CCCC[C@@H](ON=C(C)C)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927085557 1327854085 /nfs/dbraw/zinc/85/40/85/1327854085.db2.gz IWIPEGJMCFJYGR-QGZVFWFLSA-N 1 2 346.475 3.456 10 30 EGEELO CC(C)C[C@@H](C(=O)NC(C)(C)Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000928697796 1328398784 /nfs/dbraw/zinc/39/87/84/1328398784.db2.gz WICOWSNBTNJHCO-SFHVURJKSA-N 1 2 338.455 3.479 10 30 EGEELO C[C@@H]1C[C@H]1CO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000863468133 1329556086 /nfs/dbraw/zinc/55/60/86/1329556086.db2.gz QHPPEDWJZXXBFJ-DOMZBBRYSA-N 1 2 333.432 3.004 10 30 EGEELO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000864985164 1329658651 /nfs/dbraw/zinc/65/86/51/1329658651.db2.gz GQXXWKLFQQQGAK-KRWDZBQOSA-N 1 2 335.411 3.081 10 30 EGEELO COc1cccc(CC[NH2+][C@@H](C)c2cccc(C#N)c2O)c1OC ZINC000866237017 1330082849 /nfs/dbraw/zinc/08/28/49/1330082849.db2.gz CXHXQWWVJHCSKP-ZDUSSCGKSA-N 1 2 326.396 3.174 10 30 EGEELO C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1cccc(C#N)c1O ZINC000866237233 1330082862 /nfs/dbraw/zinc/08/28/62/1330082862.db2.gz IJRYKOFSAOHVFR-HNNXBMFYSA-N 1 2 336.439 3.500 10 30 EGEELO CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866238617 1330083246 /nfs/dbraw/zinc/08/32/46/1330083246.db2.gz MGAASJYYCZWFFN-AWEZNQCLSA-N 1 2 343.471 3.342 10 30 EGEELO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc2c(c1)CC(=O)N2C ZINC000866256643 1330086392 /nfs/dbraw/zinc/08/63/92/1330086392.db2.gz BBKSUMWSDISHTB-CHWSQXEVSA-N 1 2 335.407 3.195 10 30 EGEELO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1cccc(C#N)c1O ZINC000866548820 1330125056 /nfs/dbraw/zinc/12/50/56/1330125056.db2.gz QQYBQYSVSIGINL-UMVBOHGHSA-N 1 2 345.443 3.218 10 30 EGEELO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3nc(C)no3)CC2(C)C)C1 ZINC000941014565 1331294110 /nfs/dbraw/zinc/29/41/10/1331294110.db2.gz GHRJNNGZMKCGDW-HIFRSBDPSA-N 1 2 346.475 3.012 10 30 EGEELO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3nc(C)no3)CC2(C)C)C1 ZINC000941014565 1331294111 /nfs/dbraw/zinc/29/41/11/1331294111.db2.gz GHRJNNGZMKCGDW-HIFRSBDPSA-N 1 2 346.475 3.012 10 30 EGEELO C=CCC(CC=C)C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)nsc1C ZINC001323241173 1387316016 /nfs/dbraw/zinc/31/60/16/1387316016.db2.gz GXPPOGQGUDORTG-INIZCTEOSA-N 1 2 333.501 3.219 10 30 EGEELO C=CCC(CC=C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)nsc1C ZINC001323241173 1387316018 /nfs/dbraw/zinc/31/60/18/1387316018.db2.gz GXPPOGQGUDORTG-INIZCTEOSA-N 1 2 333.501 3.219 10 30 EGEELO C=CC1(CC(=O)NC[C@@H]2CC[N@H+]2Cc2cnoc2C)CCCCC1 ZINC001323319074 1387336230 /nfs/dbraw/zinc/33/62/30/1387336230.db2.gz PMJNQNDNWXMJMK-KRWDZBQOSA-N 1 2 331.460 3.200 10 30 EGEELO C=CC1(CC(=O)NC[C@@H]2CC[N@@H+]2Cc2cnoc2C)CCCCC1 ZINC001323319074 1387336239 /nfs/dbraw/zinc/33/62/39/1387336239.db2.gz PMJNQNDNWXMJMK-KRWDZBQOSA-N 1 2 331.460 3.200 10 30 EGEELO C=CCC1(C(=O)NCC2([NH2+][C@H](C)c3ncc(C)o3)CC2)CCCC1 ZINC001323624458 1387410325 /nfs/dbraw/zinc/41/03/25/1387410325.db2.gz OTYLHHFVRFIKKP-OAHLLOKOSA-N 1 2 331.460 3.419 10 30 EGEELO C=CC(C)(C)CC(=O)N(C)C1CC[NH+](CC(=C)Br)CC1 ZINC001479888054 1392459468 /nfs/dbraw/zinc/45/94/68/1392459468.db2.gz VZKYFDNIZFGPJG-UHFFFAOYSA-N 1 2 343.309 3.420 10 30 EGEELO C[C@@H](C#N)C(=O)N(C)C1C[NH+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC001323897891 1387492917 /nfs/dbraw/zinc/49/29/17/1387492917.db2.gz FSWCZOJINUIRLI-GJZGRUSLSA-N 1 2 327.472 3.347 10 30 EGEELO C=CCC(C)(C)C(=O)N(C)C1C[NH+](CCOc2cc(C)cc(C)c2)C1 ZINC001323992893 1387505890 /nfs/dbraw/zinc/50/58/90/1387505890.db2.gz KMNACFATGCOBLI-UHFFFAOYSA-N 1 2 344.499 3.427 10 30 EGEELO CC(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2C#N)CCC1(F)F ZINC001325042457 1387882452 /nfs/dbraw/zinc/88/24/52/1387882452.db2.gz MEPLDGBZOZRKQD-KRWDZBQOSA-N 1 2 349.425 3.178 10 30 EGEELO CC(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C#N)CCC1(F)F ZINC001325042457 1387882457 /nfs/dbraw/zinc/88/24/57/1387882457.db2.gz MEPLDGBZOZRKQD-KRWDZBQOSA-N 1 2 349.425 3.178 10 30 EGEELO C#C[C@@H]([NH2+]Cc1cnc(OC)s1)c1ccc(Br)cc1 ZINC001205988410 1370930680 /nfs/dbraw/zinc/93/06/80/1370930680.db2.gz GWNKTWIPHHSCPE-CYBMUJFWSA-N 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ZINC001327156757 1388411063 /nfs/dbraw/zinc/41/10/63/1388411063.db2.gz NEAHOOXCOQIOSS-HNNXBMFYSA-N 1 2 348.491 3.266 10 30 EGEELO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2nnc(C(C)C)o2)CC1 ZINC001327156757 1388411066 /nfs/dbraw/zinc/41/10/66/1388411066.db2.gz NEAHOOXCOQIOSS-HNNXBMFYSA-N 1 2 348.491 3.266 10 30 EGEELO CC/C=C(\C)C(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001266178112 1377218453 /nfs/dbraw/zinc/21/84/53/1377218453.db2.gz XNTKGUCIHHCCON-PJQLUOCWSA-N 1 2 343.446 3.476 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001266336565 1377280979 /nfs/dbraw/zinc/28/09/79/1377280979.db2.gz RHRUTQMSLPLYHH-OAHLLOKOSA-N 1 2 347.528 3.325 10 30 EGEELO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001266336565 1377280981 /nfs/dbraw/zinc/28/09/81/1377280981.db2.gz RHRUTQMSLPLYHH-OAHLLOKOSA-N 1 2 347.528 3.325 10 30 EGEELO C#CCOc1ccc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001136768914 1377421527 /nfs/dbraw/zinc/42/15/27/1377421527.db2.gz TZISYVOACIXHSN-UHFFFAOYSA-N 1 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1378463142 /nfs/dbraw/zinc/46/31/42/1378463142.db2.gz JCLAKBZKACIOBE-HOCLYGCPSA-N 1 2 341.293 3.174 10 30 EGEELO C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nc(C2CCCC2)no1 ZINC001282135244 1378479901 /nfs/dbraw/zinc/47/99/01/1378479901.db2.gz XURNLUKWPGERJU-UONOGXRCSA-N 1 2 348.491 3.312 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1nc(CC)no1 ZINC001282675036 1378545303 /nfs/dbraw/zinc/54/53/03/1378545303.db2.gz IVVRUZNSFSTGDE-KXBFYZLASA-N 1 2 348.491 3.095 10 30 EGEELO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1nc(CC)no1 ZINC001282675036 1378545310 /nfs/dbraw/zinc/54/53/10/1378545310.db2.gz IVVRUZNSFSTGDE-KXBFYZLASA-N 1 2 348.491 3.095 10 30 EGEELO C=C(C)C(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001282732787 1378581301 /nfs/dbraw/zinc/58/13/01/1378581301.db2.gz ATRZPNVITZWQFW-CYBMUJFWSA-N 1 2 335.879 3.274 10 30 EGEELO C=C[C@@H](CC)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001282734813 1378584999 /nfs/dbraw/zinc/58/49/99/1378584999.db2.gz RYBVWGQJOCMBQU-KBPBESRZSA-N 1 2 335.879 3.274 10 30 EGEELO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CCCCC)C(C)C)C2)C1 ZINC001282782659 1378607117 /nfs/dbraw/zinc/60/71/17/1378607117.db2.gz SQTDBBSHOKQPGF-CTNGQTDRSA-N 1 2 348.531 3.166 10 30 EGEELO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CCCCC)C(C)C)C2)C1 ZINC001282782659 1378607120 /nfs/dbraw/zinc/60/71/20/1378607120.db2.gz SQTDBBSHOKQPGF-CTNGQTDRSA-N 1 2 348.531 3.166 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001284132520 1379516787 /nfs/dbraw/zinc/51/67/87/1379516787.db2.gz WFHKWYYKSFFOTB-WBVHZDCISA-N 1 2 347.890 3.398 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001284132520 1379516789 /nfs/dbraw/zinc/51/67/89/1379516789.db2.gz WFHKWYYKSFFOTB-WBVHZDCISA-N 1 2 347.890 3.398 10 30 EGEELO CC#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)[C@H]1C ZINC001284132519 1379517182 /nfs/dbraw/zinc/51/71/82/1379517182.db2.gz WFHKWYYKSFFOTB-RDJZCZTQSA-N 1 2 347.890 3.398 10 30 EGEELO 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