smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH2+]CCNc1cccc(Br)c1C#N ZINC000165077218 519918738 /nfs/dbraw/zinc/91/87/38/519918738.db2.gz FHGHHQAXVMOUSB-UHFFFAOYSA-N 1 0 282.185 2.732 10 30 CFEERO CC[NH+](CC)C[C@H](C)NCc1cc(C#N)ccc1F ZINC000045706256 520734722 /nfs/dbraw/zinc/73/47/22/520734722.db2.gz PQVGRPKJVXAPMM-LBPRGKRZSA-N 1 0 263.360 2.517 10 30 CFEERO CC[NH+](CC)CCN[C@@]1(C#N)CCC[C@@H](C(F)(F)F)C1 ZINC000069384728 520690689 /nfs/dbraw/zinc/69/06/89/520690689.db2.gz SGNFNROKUQUHLF-OLZOCXBDSA-N 1 0 291.361 2.933 10 30 CFEERO C[NH+](C)CCN[C@@H](C#N)c1csc2ccccc12 ZINC000054464806 521789326 /nfs/dbraw/zinc/78/93/26/521789326.db2.gz QUVAKXRPBQSRRG-ZDUSSCGKSA-N 1 0 259.378 2.617 10 30 CFEERO C[NH2+]C[C@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000156665275 522087908 /nfs/dbraw/zinc/08/79/08/522087908.db2.gz BCIMTOGYRLAPEG-GFCCVEGCSA-N 1 0 283.297 2.765 10 30 CFEERO C[NH+]1CCC(CN[C@H](CC#N)c2ccccc2)CC1 ZINC000055018570 523765427 /nfs/dbraw/zinc/76/54/27/523765427.db2.gz BKXAGDBNDHQFPG-MRXNPFEDSA-N 1 0 257.381 2.573 10 30 CFEERO C[C@H]1CCC[C@@](C[NH2+]CCCCC#N)(N(C)C)C1 ZINC000049578495 524169870 /nfs/dbraw/zinc/16/98/70/524169870.db2.gz KNRQDOPZLZXXSS-LSDHHAIUSA-N 1 0 251.418 2.780 10 30 CFEERO C[C@@H](CCC[NH3+])Nc1cc(C#N)c2ccccc2n1 ZINC000311440700 524457025 /nfs/dbraw/zinc/45/70/25/524457025.db2.gz PHEYQQARMYZURP-NSHDSACASA-N 1 0 254.337 2.646 10 30 CFEERO Cc1cc(N[C@H](C)C[NH+]2CCCCC2)c(C#N)c(C)n1 ZINC000156558829 525300739 /nfs/dbraw/zinc/30/07/39/525300739.db2.gz RIFZQUZBGYMFNB-CYBMUJFWSA-N 1 0 272.396 2.856 10 30 CFEERO CSC[C@@H](C)C[NH2+]Cc1cccc(OCC#N)c1 ZINC000069434876 525623178 /nfs/dbraw/zinc/62/31/78/525623178.db2.gz MCENVQNHIDGCJS-LBPRGKRZSA-N 1 0 264.394 2.678 10 30 CFEERO N#C[C@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)NC1CC1 ZINC000062436906 526508801 /nfs/dbraw/zinc/50/88/01/526508801.db2.gz GAPAKTXVVGWQRF-JKSUJKDBSA-N 1 0 261.413 2.675 10 30 CFEERO N#Cc1c(Cl)cccc1N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000052906413 526519030 /nfs/dbraw/zinc/51/90/30/526519030.db2.gz HHGGQJZZSSDMGX-ZFWWWQNUSA-N 1 0 275.783 2.932 10 30 CFEERO N#Cc1ccc(COCC[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000051862087 526629663 /nfs/dbraw/zinc/62/96/63/526629663.db2.gz CSBLHDVSZGEAHH-CQSZACIVSA-N 1 0 262.328 2.746 10 30 CFEERO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2CCCO)c1 ZINC000052759648 526725366 /nfs/dbraw/zinc/72/53/66/526725366.db2.gz WARWQQQNXQJYFD-INIZCTEOSA-N 1 0 288.391 2.564 10 30 CFEERO CCCCCCCC[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177249987 618381047 /nfs/dbraw/zinc/38/10/47/618381047.db2.gz WGVIMIUSFYOTFG-DLBZAZTESA-N 1 0 282.472 2.999 10 30 CFEERO Cc1cc(C#N)cc(NC[C@H]2[NH2+]CCc3ccccc32)n1 ZINC000261771879 618425967 /nfs/dbraw/zinc/42/59/67/618425967.db2.gz WBXHAZIPTBVDLH-MRXNPFEDSA-N 1 0 278.359 2.561 10 30 CFEERO N#Cc1sc(N[C@H](C[NH3+])C2CCCCC2)nc1Cl ZINC000236180998 618609248 /nfs/dbraw/zinc/60/92/48/618609248.db2.gz DVVMAFYWZVUFNG-SECBINFHSA-N 1 0 284.816 2.988 10 30 CFEERO C#CCC[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000070245957 625291114 /nfs/dbraw/zinc/29/11/14/625291114.db2.gz LSNZIBFMBUSEOX-UHFFFAOYSA-N 1 0 298.180 2.579 10 30 CFEERO C[NH2+][C@@H](C)CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000261573359 619171968 /nfs/dbraw/zinc/17/19/68/619171968.db2.gz MHUXBOWCMWACGN-QMMMGPOBSA-N 1 0 257.259 2.597 10 30 CFEERO C[C@H](Nc1nc2ccccc2cc1C#N)[C@H]1CCC[NH2+]C1 ZINC000071386063 625511111 /nfs/dbraw/zinc/51/11/11/625511111.db2.gz RLIGSVOTPSEZTI-JSGCOSHPSA-N 1 0 280.375 2.906 10 30 CFEERO CCCCCCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000174635699 623451731 /nfs/dbraw/zinc/45/17/31/623451731.db2.gz LPYKFZQZFPBAHS-CVEARBPZSA-N 1 0 298.471 2.651 10 30 CFEERO CCCCCCCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170867770 624981162 /nfs/dbraw/zinc/98/11/62/624981162.db2.gz MENHOSZPBBBUFG-AWEZNQCLSA-N 1 0 254.418 2.900 10 30 CFEERO C#CCC[NH2+]Cc1ccc(Br)cc1F ZINC000069768028 625218659 /nfs/dbraw/zinc/21/86/59/625218659.db2.gz VPESARBZRPFVST-UHFFFAOYSA-N 1 0 256.118 2.701 10 30 CFEERO Cc1cnn(CC[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000105908505 632435217 /nfs/dbraw/zinc/43/52/17/632435217.db2.gz XXBHPRWAYUVCHH-UHFFFAOYSA-N 1 0 298.390 2.664 10 30 CFEERO CCCCCCCCCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000124808252 642335702 /nfs/dbraw/zinc/33/57/02/642335702.db2.gz DQTZOFYZHXCGCH-CQSZACIVSA-N 1 0 254.418 2.853 10 30 CFEERO C[C@H]1C[NH+](Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)O1 ZINC000127024664 643823070 /nfs/dbraw/zinc/82/30/70/643823070.db2.gz LCRFWICCHIHOON-GJZGRUSLSA-N 1 0 287.407 2.646 10 30 CFEERO CCCCCCCC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000247031078 650895062 /nfs/dbraw/zinc/89/50/62/650895062.db2.gz PGNVQNJNDJONGJ-JKSUJKDBSA-N 1 0 270.461 2.734 10 30 CFEERO CCCCCCCC[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247031036 650895541 /nfs/dbraw/zinc/89/55/41/650895541.db2.gz PGNVQNJNDJONGJ-CVEARBPZSA-N 1 0 270.461 2.734 10 30 CFEERO C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCS1 ZINC000134342575 646331316 /nfs/dbraw/zinc/33/13/16/646331316.db2.gz INGMHKKPZKVSBG-ZDUSSCGKSA-N 1 0 276.405 2.764 10 30 CFEERO CN(C)c1ccc2c(c1)O[C@@H]1CC(=[N+](C)C)CC[C@@H]1C2 ZINC000503940409 282296663 /nfs/dbraw/zinc/29/66/63/282296663.db2.gz VNWOEODVWFGGPQ-CXAGYDPISA-N 1 0 273.400 2.569 10 30 CFEERO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000037163702 346327971 /nfs/dbraw/zinc/32/79/71/346327971.db2.gz UNKSHHULRLBENI-HUUCEWRRSA-N 1 0 261.365 2.645 10 30 CFEERO C#CC[N@@H+](CCC)[C@H]1CCc2c(cccc2OC)C1 ZINC000038920134 346340695 /nfs/dbraw/zinc/34/06/95/346340695.db2.gz ZVHIJOVVHDSZNQ-HNNXBMFYSA-N 1 0 257.377 2.898 10 30 CFEERO CC[C@H](O)CC[N@H+](CCCC#N)Cc1ccccc1 ZINC000039080403 346341417 /nfs/dbraw/zinc/34/14/17/346341417.db2.gz VQMUXIUYGPEKME-INIZCTEOSA-N 1 0 260.381 2.953 10 30 CFEERO CNC(=[NH2+])Nc1c(Cl)cc(Br)cc1Cl ZINC000052069060 346511592 /nfs/dbraw/zinc/51/15/92/346511592.db2.gz ZURRMAFNZFQHSF-UHFFFAOYSA-N 1 0 296.983 2.922 10 30 CFEERO Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N+]1(C)C ZINC000077303089 347184573 /nfs/dbraw/zinc/18/45/73/347184573.db2.gz MJJYDEVWGIGYRZ-CQSZACIVSA-O 1 0 261.389 2.871 10 30 CFEERO CC(C)[C@H]([NH3+])C#Cc1c[nH]c2cncc(Br)c12 ZINC000725246401 539561086 /nfs/dbraw/zinc/56/10/86/539561086.db2.gz ZDUHFVWAAUUMBT-LLVKDONJSA-N 1 0 292.180 2.660 10 30 CFEERO CC(C)[N+](=O)C[C@@H](O)COc1cccc2ccccc21 ZINC000111440100 347754351 /nfs/dbraw/zinc/75/43/51/347754351.db2.gz HZIWJRLPDPBUQJ-NGWPFTMJSA-N 1 0 273.332 2.569 10 30 CFEERO CC[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC[C@@H]1[NH3+] ZINC000123027761 347818001 /nfs/dbraw/zinc/81/80/01/347818001.db2.gz KVBVKGRDGWNFAC-KOLCDFICSA-N 1 0 298.312 2.536 10 30 CFEERO [NH3+]CC#Cc1ccc(F)cc1OCc1ccccc1 ZINC000133388238 347891786 /nfs/dbraw/zinc/89/17/86/347891786.db2.gz FICIXJJVRCVTQT-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO C#CC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137068134 347912034 /nfs/dbraw/zinc/91/20/34/347912034.db2.gz PJCNCXQDFDORCE-UHFFFAOYSA-N 1 0 258.546 2.825 10 30 CFEERO O/N=C1\CN(Cc2ccccc2)Cc2ccccc21 ZINC000222228188 348173451 /nfs/dbraw/zinc/17/34/51/348173451.db2.gz VKRXMFZLQOYISN-WUKNDPDISA-N 1 0 252.317 2.881 10 30 CFEERO C=CCOc1ccc(C2=[NH+]CCN2)c2ccccc12 ZINC000225793384 348180206 /nfs/dbraw/zinc/18/02/06/348180206.db2.gz YLYVDSQQRHKBOP-UHFFFAOYSA-N 1 0 252.317 2.754 10 30 CFEERO C=C[C@@H]([NH3+])c1sccc1I ZINC000238578596 348247952 /nfs/dbraw/zinc/24/79/52/348247952.db2.gz GEDNUCOXSDTZSH-ZCFIWIBFSA-N 1 0 265.119 2.539 10 30 CFEERO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000251883625 348294883 /nfs/dbraw/zinc/29/48/83/348294883.db2.gz VOKDTMDKSZUDBW-ZWKOTPCHSA-N 1 0 284.403 2.994 10 30 CFEERO C[C@@H]([NH3+])C[C@H](C)Nc1cccc(Br)c1C#N ZINC000320810089 348437221 /nfs/dbraw/zinc/43/72/21/348437221.db2.gz ICVHRQGXJLMPKR-BDAKNGLRSA-N 1 0 282.185 2.858 10 30 CFEERO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CCc2nccn2C1 ZINC000328643521 348441725 /nfs/dbraw/zinc/44/17/25/348441725.db2.gz RIKVHQDZIGXHJJ-ZDUSSCGKSA-N 1 0 298.365 2.588 10 30 CFEERO C[NH2+]Cc1ccccc1CNc1cc(C)nc(C#N)c1 ZINC000404562956 348593209 /nfs/dbraw/zinc/59/32/09/348593209.db2.gz XPGUVVRZTWCNCT-UHFFFAOYSA-N 1 0 266.348 2.593 10 30 CFEERO N#CC(CCC[NH2+]CCO)(c1ccccc1)c1ccccc1 ZINC000584594591 348683119 /nfs/dbraw/zinc/68/31/19/348683119.db2.gz MMPSDCNQGVQCKG-UHFFFAOYSA-N 1 0 294.398 2.858 10 30 CFEERO C=C[C@@H](CCOCC)[NH2+]CCOc1ccccc1OC ZINC000584620291 348691748 /nfs/dbraw/zinc/69/17/48/348691748.db2.gz ASPPZRKYARCOMI-AWEZNQCLSA-N 1 0 279.380 2.645 10 30 CFEERO C=CC[NH+]1CCC(c2cccc(O)c2)([C@@H](O)CC)CC1 ZINC000584637103 348698871 /nfs/dbraw/zinc/69/88/71/348698871.db2.gz UHLLKWZHQAZXAS-INIZCTEOSA-N 1 0 275.392 2.683 10 30 CFEERO CCCN(c1cc(C)ccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000104341088 185975213 /nfs/dbraw/zinc/97/52/13/185975213.db2.gz FRZSCZDWVOBUAH-OAHLLOKOSA-N 1 0 257.381 2.835 10 30 CFEERO Cc1ccc(C[N@@H+]2CCC[C@H]2CCCO)cc1C#N ZINC000599282148 350406120 /nfs/dbraw/zinc/40/61/20/350406120.db2.gz OFACADVLPQPEQS-INIZCTEOSA-N 1 0 258.365 2.604 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C[NH3+] ZINC000600961733 350637783 /nfs/dbraw/zinc/63/77/83/350637783.db2.gz VUYNCHPDSALXIK-KOLCDFICSA-N 1 0 283.297 2.608 10 30 CFEERO N#Cc1ccccc1[C@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616588980 352376198 /nfs/dbraw/zinc/37/61/98/352376198.db2.gz DUZQHWFLDSMIMM-MRXNPFEDSA-N 1 0 277.371 2.859 10 30 CFEERO N#Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000616633097 352393491 /nfs/dbraw/zinc/39/34/91/352393491.db2.gz IJAJDSROBGPBBZ-GOSISDBHSA-N 1 0 277.371 2.705 10 30 CFEERO N#Cc1ccc([C@@H]2CCN(CC[NH3+])c3ccccc32)cc1 ZINC000616674397 352408587 /nfs/dbraw/zinc/40/85/87/352408587.db2.gz IAMFCWIBTFFBBU-INIZCTEOSA-N 1 0 277.371 2.859 10 30 CFEERO CC(C)(C)[N@@H+]1CCOC[C@H](c2ccccc2C#N)C1 ZINC000616660749 352402574 /nfs/dbraw/zinc/40/25/74/352402574.db2.gz PXFXRJPHXQIUIJ-CQSZACIVSA-N 1 0 258.365 2.773 10 30 CFEERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000153746241 188101087 /nfs/dbraw/zinc/10/10/87/188101087.db2.gz BOJUIMNOJQKNDI-ZQIUZPCESA-N 1 0 271.408 2.938 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156370248 283092849 /nfs/dbraw/zinc/09/28/49/283092849.db2.gz NFRCZUQCAPGTBH-OLZOCXBDSA-N 1 0 295.308 2.908 10 30 CFEERO N#Cc1ccc(Cl)cc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000083798730 283149759 /nfs/dbraw/zinc/14/97/59/283149759.db2.gz UPSQJGSFWHUGSN-CQSZACIVSA-N 1 0 275.783 2.886 10 30 CFEERO C=CCOc1cccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000179465975 189196215 /nfs/dbraw/zinc/19/62/15/189196215.db2.gz CNDHEILGHOZFHJ-INIZCTEOSA-N 1 0 298.390 2.680 10 30 CFEERO Cc1cc(NCC[N@H+]2CCC[C@@H](C)C2)c(C#N)c(C)n1 ZINC000301812279 201212117 /nfs/dbraw/zinc/21/21/17/201212117.db2.gz ZZJJTHYGDVLOKQ-GFCCVEGCSA-N 1 0 272.396 2.714 10 30 CFEERO CCCCCCCCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116787870 376205764 /nfs/dbraw/zinc/20/57/64/376205764.db2.gz IUISFMQCNXBLRZ-HNNXBMFYSA-N 1 0 284.444 2.526 10 30 CFEERO C=CCC1(CC=C)C(=O)OC[C@H]1[NH2+]Cc1ccccc1 ZINC000013558756 372032461 /nfs/dbraw/zinc/03/24/61/372032461.db2.gz XZMFDOKRMTYFNG-OAHLLOKOSA-N 1 0 271.360 2.840 10 30 CFEERO CC[NH2+]CCNc1ccc(C(F)(F)F)cc1C#N ZINC000054267270 373509406 /nfs/dbraw/zinc/50/94/06/373509406.db2.gz CJNOBFVNDXQTTP-UHFFFAOYSA-N 1 0 257.259 2.598 10 30 CFEERO C=CCC[C@@H](C[N@@H+](C)Cc1cccnc1)Oc1cnccn1 ZINC000072480465 374255304 /nfs/dbraw/zinc/25/53/04/374255304.db2.gz DTZYWFRGBFDUFK-INIZCTEOSA-N 1 0 298.390 2.717 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(C#N)cc1F ZINC000092631309 375132531 /nfs/dbraw/zinc/13/25/31/375132531.db2.gz XMBCPMQQIWUACM-ZDUSSCGKSA-N 1 0 261.344 2.618 10 30 CFEERO C[NH+](C)CCCCCn1c(/C=N/O)nc2ccccc21 ZINC000095115860 375416003 /nfs/dbraw/zinc/41/60/03/375416003.db2.gz UXRWGVALQIYLKJ-FOWTUZBSSA-N 1 0 274.368 2.576 10 30 CFEERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000105896136 375793041 /nfs/dbraw/zinc/79/30/41/375793041.db2.gz GSMFUGAGOFXLBA-AWEZNQCLSA-N 1 0 260.385 2.868 10 30 CFEERO C=CCNC(=O)CN1CCCC[C@@H]1c1ccc(CC)o1 ZINC000124857765 377097110 /nfs/dbraw/zinc/09/71/10/377097110.db2.gz MWOUSRIGUKBCNA-CQSZACIVSA-N 1 0 276.380 2.671 10 30 CFEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000124958477 377104078 /nfs/dbraw/zinc/10/40/78/377104078.db2.gz HAFYCYIQXIWBCE-ZIAGYGMSSA-N 1 0 280.437 2.958 10 30 CFEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000128022308 377313513 /nfs/dbraw/zinc/31/35/13/377313513.db2.gz MYFRKMXJNXGCNL-CABCVRRESA-N 1 0 277.412 2.501 10 30 CFEERO Cn1cc([C@H]2CCC[N@@H+]2CC(C)(C)CCC#N)cn1 ZINC000131976726 377785915 /nfs/dbraw/zinc/78/59/15/377785915.db2.gz IPCZKEMPQCZIBZ-CQSZACIVSA-N 1 0 260.385 2.887 10 30 CFEERO N#Cc1ccc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000132894883 377885519 /nfs/dbraw/zinc/88/55/19/377885519.db2.gz YOUUDFGSJGAZJR-ZWKOTPCHSA-N 1 0 299.418 2.738 10 30 CFEERO C=C(C)C[N@@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000161691175 378865526 /nfs/dbraw/zinc/86/55/26/378865526.db2.gz XCYQBVDDIOZHJA-UHFFFAOYSA-N 1 0 250.361 2.765 10 30 CFEERO Cc1cc(C#N)cc(N[C@H](C[NH3+])C2CCCCC2)n1 ZINC000161786599 378872504 /nfs/dbraw/zinc/87/25/04/378872504.db2.gz OOLDUGQZOHONKC-CQSZACIVSA-N 1 0 258.369 2.581 10 30 CFEERO C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1nnc2n1CCCC2 ZINC000173624940 379758327 /nfs/dbraw/zinc/75/83/27/379758327.db2.gz JYRIPQYWYUPZGF-STQMWFEESA-N 1 0 295.390 2.898 10 30 CFEERO C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1nnc2n1CCCC2 ZINC000173624979 379758784 /nfs/dbraw/zinc/75/87/84/379758784.db2.gz JYRIPQYWYUPZGF-CHWSQXEVSA-N 1 0 295.390 2.898 10 30 CFEERO C[C@@H](CCC[NH3+])Nc1ccc(C#N)cc1Br ZINC000336674511 380588693 /nfs/dbraw/zinc/58/86/93/380588693.db2.gz UTXRQRJGZUYSQT-VIFPVBQESA-N 1 0 282.185 2.860 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C#N)ccc1OC ZINC000180832073 380704570 /nfs/dbraw/zinc/70/45/70/380704570.db2.gz GQIGRMWYVJGDRF-IAGOWNOFSA-N 1 0 299.418 2.625 10 30 CFEERO N#Cc1ccc(C(F)(F)F)c(N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000185379720 381617944 /nfs/dbraw/zinc/61/79/44/381617944.db2.gz JPICKCWBWQVLDU-GFCCVEGCSA-N 1 0 295.308 2.861 10 30 CFEERO N#Cc1cccc(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)n1 ZINC000301816405 382195432 /nfs/dbraw/zinc/19/54/32/382195432.db2.gz DOHHFWVBZQVJMR-QGZVFWFLSA-N 1 0 292.386 2.712 10 30 CFEERO C=CC[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000189256604 382576403 /nfs/dbraw/zinc/57/64/03/382576403.db2.gz XDWZWNBWJKJNLX-SJORKVTESA-N 1 0 284.403 2.653 10 30 CFEERO C=CCC[N@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190511674 382671741 /nfs/dbraw/zinc/67/17/41/382671741.db2.gz JKZYHHDNKQBXGN-HNNXBMFYSA-N 1 0 296.455 2.691 10 30 CFEERO C=CCCCCC[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000193337074 382718997 /nfs/dbraw/zinc/71/89/97/382718997.db2.gz LMICAKCDOMXTGA-CQSZACIVSA-N 1 0 292.427 2.803 10 30 CFEERO Cc1ccc([C@@H](C)NCC(=O)Nc2cccc(C#N)c2)o1 ZINC000193635600 382721883 /nfs/dbraw/zinc/72/18/83/382721883.db2.gz WRYSBMSNZYUDGS-GFCCVEGCSA-N 1 0 283.331 2.749 10 30 CFEERO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000217347452 382786004 /nfs/dbraw/zinc/78/60/04/382786004.db2.gz ZBVVWYFNWFEBFC-IAGOWNOFSA-N 1 0 286.375 2.580 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000245941871 383051118 /nfs/dbraw/zinc/05/11/18/383051118.db2.gz VAISVUPMLRYONG-JYJNAYRXSA-N 1 0 293.455 2.999 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C#N)cc1 ZINC000247544779 383182863 /nfs/dbraw/zinc/18/28/63/383182863.db2.gz PLEPYWCEYZCNMU-HOTGVXAUSA-N 1 0 298.390 2.649 10 30 CFEERO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000248627729 383275057 /nfs/dbraw/zinc/27/50/57/383275057.db2.gz PCVXHUTXAVPHSM-KKUMJFAQSA-N 1 0 264.413 2.674 10 30 CFEERO CN(CCC[NH2+][C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000249984660 383367812 /nfs/dbraw/zinc/36/78/12/383367812.db2.gz MGAAHXSJMPZEMH-GOEBONIOSA-N 1 0 257.381 2.795 10 30 CFEERO C=C[C@@](C)(O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000253388689 383454797 /nfs/dbraw/zinc/45/47/97/383454797.db2.gz ALXXMKDEYFKHDO-IAGOWNOFSA-N 1 0 293.382 2.744 10 30 CFEERO N#Cc1ccc(NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000261798600 383562627 /nfs/dbraw/zinc/56/26/27/383562627.db2.gz RDABDZGNMRKGCT-UHFFFAOYSA-N 1 0 274.324 2.540 10 30 CFEERO C[C@@H]1CC(C[NH2+]Cc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000282299616 385277955 /nfs/dbraw/zinc/27/79/55/385277955.db2.gz RRTHGSOCCWIZNO-CHWSQXEVSA-N 1 0 258.365 2.851 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000094337553 184783371 /nfs/dbraw/zinc/78/33/71/184783371.db2.gz SDKIRCNAOPGLQD-KOLCDFICSA-N 1 0 298.312 2.901 10 30 CFEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000179165561 393453047 /nfs/dbraw/zinc/45/30/47/393453047.db2.gz NNPSZQUOGVNLDC-QGZVFWFLSA-N 1 0 299.418 2.603 10 30 CFEERO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000183130894 393516617 /nfs/dbraw/zinc/51/66/17/393516617.db2.gz OAUWRYGJCSVRMS-DOMZBBRYSA-N 1 0 263.768 2.849 10 30 CFEERO C#CCOC[C@@H](O)C[N@H+](Cc1ccc(C)s1)[C@H](C)CC ZINC000036101256 393522691 /nfs/dbraw/zinc/52/26/91/393522691.db2.gz BJYDSNDJZITGCK-HIFRSBDPSA-N 1 0 295.448 2.668 10 30 CFEERO C[C@@H]1C[NH+](CCC2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000313775556 393524363 /nfs/dbraw/zinc/52/43/63/393524363.db2.gz FCCGISCHQZAATC-ZIAGYGMSSA-N 1 0 250.386 2.960 10 30 CFEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000192588142 393626670 /nfs/dbraw/zinc/62/66/70/393626670.db2.gz MNFWVFPYJDZUBR-STQMWFEESA-N 1 0 278.421 2.988 10 30 CFEERO Cc1nc(NC[C@@H]2[NH2+]CCc3ccccc32)ccc1C#N ZINC000261651535 393948841 /nfs/dbraw/zinc/94/88/41/393948841.db2.gz JUKURWHVTLORIJ-INIZCTEOSA-N 1 0 278.359 2.561 10 30 CFEERO N#CCCCOc1cccc(N[C@@H]2CCC[NH2+]CC2)c1 ZINC000133751757 394182191 /nfs/dbraw/zinc/18/21/91/394182191.db2.gz HQLQLEBRQXQITJ-CQSZACIVSA-N 1 0 273.380 2.923 10 30 CFEERO CC(C)(C#N)c1ccccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178530897 394388971 /nfs/dbraw/zinc/38/89/71/394388971.db2.gz SYEKTXTZZAQNFV-MRXNPFEDSA-N 1 0 283.419 2.768 10 30 CFEERO CC#C[C@]1(O)CCC[C@H](OCC[NH+](C(C)C)C(C)C)C1 ZINC000005158101 170071785 /nfs/dbraw/zinc/07/17/85/170071785.db2.gz RACBOBKMDDZSAZ-IRXDYDNUSA-N 1 0 281.440 2.819 10 30 CFEERO C[C@H](NC(=S)Nc1ccc(NCC[NH3+])nc1)C(C)(C)C ZINC000013600668 170567841 /nfs/dbraw/zinc/56/78/41/170567841.db2.gz GERIOJPFHYMIJJ-JTQLQIEISA-N 1 0 295.456 2.585 10 30 CFEERO C[NH+](C)CCN[C@H](C#N)c1cccc(Cl)c1Cl ZINC000020177288 171043105 /nfs/dbraw/zinc/04/31/05/171043105.db2.gz ZLGJVMUEDSGROF-LLVKDONJSA-N 1 0 272.179 2.709 10 30 CFEERO ON=C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000020248430 171102242 /nfs/dbraw/zinc/10/22/42/171102242.db2.gz VIFPEBFQBKNTJM-UHFFFAOYSA-N 1 0 255.321 2.661 10 30 CFEERO C#CCN1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000037218263 173036703 /nfs/dbraw/zinc/03/67/03/173036703.db2.gz VEFRKJQDBBGEOY-UHFFFAOYSA-N 1 0 276.811 2.570 10 30 CFEERO C#CC[NH+]1CCC(Nc2ccc(Cl)c(F)c2)CC1 ZINC000037301008 173106453 /nfs/dbraw/zinc/10/64/53/173106453.db2.gz DZHCJXVITYZCCK-UHFFFAOYSA-N 1 0 266.747 2.989 10 30 CFEERO C=CCSc1ccccc1NC(=O)C[NH2+]C1CC1 ZINC000037495215 173234701 /nfs/dbraw/zinc/23/47/01/173234701.db2.gz HKWLWKKLADTIAR-UHFFFAOYSA-N 1 0 262.378 2.655 10 30 CFEERO C=CCOCCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000658210373 414283683 /nfs/dbraw/zinc/28/36/83/414283683.db2.gz RKMHOKCJBUSOQW-GFCCVEGCSA-N 1 0 265.401 2.763 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000659331835 414501267 /nfs/dbraw/zinc/50/12/67/414501267.db2.gz QZJWGJPGOLXQGE-ZNMIVQPWSA-N 1 0 264.413 2.627 10 30 CFEERO C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000662843994 414619432 /nfs/dbraw/zinc/61/94/32/414619432.db2.gz VVLKBVDTVVAVDD-PPWQZUPISA-N 1 0 264.413 2.755 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]([NH3+])C(C)C ZINC000662600176 414570774 /nfs/dbraw/zinc/57/07/74/414570774.db2.gz BTPXQZNXIASEGX-RDBSUJKOSA-N 1 0 252.402 2.611 10 30 CFEERO CC(C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000040414386 174255714 /nfs/dbraw/zinc/25/57/14/174255714.db2.gz VICAPQPRLKGEKM-JTQLQIEISA-N 1 0 291.420 2.681 10 30 CFEERO N#Cc1c(NC(=O)[C@@H]2CCC[NH2+]2)sc2c1CCCCC2 ZINC000040429188 174258624 /nfs/dbraw/zinc/25/86/24/174258624.db2.gz SRLMNXXQZOWDSK-LBPRGKRZSA-N 1 0 289.404 2.579 10 30 CFEERO N#Cc1c(NC(=O)[C@H]2CCC[NH2+]2)sc2c1CCCCC2 ZINC000040429190 174259191 /nfs/dbraw/zinc/25/91/91/174259191.db2.gz SRLMNXXQZOWDSK-GFCCVEGCSA-N 1 0 289.404 2.579 10 30 CFEERO C[NH2+]C[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000040592479 174347718 /nfs/dbraw/zinc/34/77/18/174347718.db2.gz YGJNVOFPSKMKFQ-DZGCQCFKSA-N 1 0 257.381 2.551 10 30 CFEERO Cc1sc(NC(=O)CCC[NH2+]C(C)C)c(C#N)c1C ZINC000040857185 174424332 /nfs/dbraw/zinc/42/43/32/174424332.db2.gz NGMWFMFHHYKQIU-UHFFFAOYSA-N 1 0 279.409 2.953 10 30 CFEERO CC(C)C[C@@H](C)[N@H+](C)CCOc1ccc(C#CCO)cc1 ZINC000042590613 174811108 /nfs/dbraw/zinc/81/11/08/174811108.db2.gz GVRDTHREOKEVEU-MRXNPFEDSA-N 1 0 289.419 2.776 10 30 CFEERO C[C@@H]([N@H+](C)Cc1ccc(/C(N)=N/O)cc1)C(C)(C)C ZINC000042766942 174869539 /nfs/dbraw/zinc/86/95/39/174869539.db2.gz CIRXWHSNJVMTNG-LLVKDONJSA-N 1 0 263.385 2.648 10 30 CFEERO N#Cc1ccc(N[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000043326181 175007746 /nfs/dbraw/zinc/00/77/46/175007746.db2.gz XKPJIIOPAVPAEG-SNVBAGLBSA-N 1 0 269.270 2.741 10 30 CFEERO COc1cc(C#N)ccc1O[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336662 175012518 /nfs/dbraw/zinc/01/25/18/175012518.db2.gz NDSILCOOVDKSSR-BMIGLBTASA-N 1 0 272.304 2.627 10 30 CFEERO N#CCCCCOc1ccc(CC[NH3+])cc1Cl ZINC000043490994 175057261 /nfs/dbraw/zinc/05/72/61/175057261.db2.gz WPPZJCGDIXXJHX-UHFFFAOYSA-N 1 0 252.745 2.914 10 30 CFEERO C[C@H]([NH3+])Cc1ccc(OCCCC#N)c(Cl)c1 ZINC000043491821 175057705 /nfs/dbraw/zinc/05/77/05/175057705.db2.gz NFLZGGFSHFGISR-JTQLQIEISA-N 1 0 252.745 2.912 10 30 CFEERO CCOc1cccc(C[NH2+]C2CC2)c1O[C@H](C)C#N ZINC000043513528 175061608 /nfs/dbraw/zinc/06/16/08/175061608.db2.gz ADVQTOLZTHXMLR-LLVKDONJSA-N 1 0 260.337 2.628 10 30 CFEERO C[C@H](C#N)Oc1ccc(Br)cc1C[NH2+]C1CC1 ZINC000043513438 175061682 /nfs/dbraw/zinc/06/16/82/175061682.db2.gz WOEONHFTSKHLKR-SECBINFHSA-N 1 0 295.180 2.992 10 30 CFEERO C[C@H](C#N)Oc1c(Br)cccc1C[C@H](C)[NH3+] ZINC000043518868 175061900 /nfs/dbraw/zinc/06/19/00/175061900.db2.gz OCZVVVSGBTUTJJ-DTWKUNHWSA-N 1 0 283.169 2.630 10 30 CFEERO CCOc1cccc(C[C@H]([NH3+])CC)c1O[C@H](C)C#N ZINC000043518796 175062105 /nfs/dbraw/zinc/06/21/05/175062105.db2.gz CNHVYHFCOUGAFI-DGCLKSJQSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@H](C#N)Oc1c(Br)cccc1C[NH2+]C ZINC000043539007 175064018 /nfs/dbraw/zinc/06/40/18/175064018.db2.gz DHDKIWZVFXIMOJ-SNVBAGLBSA-N 1 0 283.169 2.849 10 30 CFEERO CCC[NH2+]Cc1ccc(O[C@H](C#N)CC)c([N+](=O)[O-])c1 ZINC000043538728 175064123 /nfs/dbraw/zinc/06/41/23/175064123.db2.gz JDVKZPFEVSUCKL-LBPRGKRZSA-N 1 0 277.324 2.775 10 30 CFEERO CC[C@@H]([NH3+])Cc1cc(OC)c(O[C@@H](C#N)CC)c(OC)c1 ZINC000043543647 175064298 /nfs/dbraw/zinc/06/42/98/175064298.db2.gz VJVLWVDXJVHPDQ-CHWSQXEVSA-N 1 0 292.379 2.665 10 30 CFEERO [NH3+]CC#Cc1ccc(C(=O)NC2CCCCCC2)cc1F ZINC000043582823 175069961 /nfs/dbraw/zinc/06/99/61/175069961.db2.gz JYIPLXTXQLFVPX-UHFFFAOYSA-N 1 0 288.366 2.589 10 30 CFEERO N#Cc1cc(NC(=O)CC[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000043588589 175073069 /nfs/dbraw/zinc/07/30/69/175073069.db2.gz JDCQRLOBVWFIDJ-NSHDSACASA-N 1 0 291.782 2.930 10 30 CFEERO C[C@H]1CCC[N@H+](Cc2sccc2C#CCCO)C1 ZINC000043678903 175089805 /nfs/dbraw/zinc/08/98/05/175089805.db2.gz GKPMQAWSVKEDAX-ZDUSSCGKSA-N 1 0 263.406 2.714 10 30 CFEERO COc1cc(C#N)ccc1OCc1ccc(C#CC[NH3+])s1 ZINC000043684678 175093142 /nfs/dbraw/zinc/09/31/42/175093142.db2.gz YAPHELDYIVXJNL-UHFFFAOYSA-N 1 0 298.367 2.518 10 30 CFEERO COc1cc(C)ccc1OCc1ccc(C#CC[NH3+])s1 ZINC000043685114 175094126 /nfs/dbraw/zinc/09/41/26/175094126.db2.gz YPSLZHWNPXWTFL-UHFFFAOYSA-N 1 0 287.384 2.954 10 30 CFEERO [NH3+]CC#Cc1csc(CN2CCc3ccccc32)c1 ZINC000043688826 175095544 /nfs/dbraw/zinc/09/55/44/175095544.db2.gz CEJVRGXNKVIQIC-UHFFFAOYSA-N 1 0 268.385 2.621 10 30 CFEERO Cc1cccc(OCc2cc(C#CC[NH3+])cs2)c1 ZINC000043689256 175096197 /nfs/dbraw/zinc/09/61/97/175096197.db2.gz IZXBRSUOOLNKGP-UHFFFAOYSA-N 1 0 257.358 2.946 10 30 CFEERO CC(C)[C@H](C)[N@H+](C)Cc1cc(C#CCCO)cs1 ZINC000043698621 175096756 /nfs/dbraw/zinc/09/67/56/175096756.db2.gz HSOQOGSMRNVSQP-ZDUSSCGKSA-N 1 0 265.422 2.958 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1CCC[NH2+]C1 ZINC000044503190 175186099 /nfs/dbraw/zinc/18/60/99/175186099.db2.gz OFJRDCAOFYRZNO-JTQLQIEISA-N 1 0 283.297 2.989 10 30 CFEERO N#Cc1ccc(NC[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000044503091 175186370 /nfs/dbraw/zinc/18/63/70/175186370.db2.gz WFJZLLYHYNYWJR-JTQLQIEISA-N 1 0 283.297 2.989 10 30 CFEERO C[C@@H]([NH2+]C[C@@H]1CCCCN1C)c1cccc(C#N)c1 ZINC000044560982 175204835 /nfs/dbraw/zinc/20/48/35/175204835.db2.gz SEJBJZJLUXZPEF-CJNGLKHVSA-N 1 0 257.381 2.693 10 30 CFEERO C[C@@H]([NH2+]C[C@H]1CCCCN1C)c1cccc(C#N)c1 ZINC000044560984 175205146 /nfs/dbraw/zinc/20/51/46/175205146.db2.gz SEJBJZJLUXZPEF-CZUORRHYSA-N 1 0 257.381 2.693 10 30 CFEERO [NH3+]CC#Cc1ccc(Cn2ccnc2-c2cccs2)cc1 ZINC000045048662 175297139 /nfs/dbraw/zinc/29/71/39/175297139.db2.gz OHRRTRLOMQMJGT-UHFFFAOYSA-N 1 0 293.395 2.970 10 30 CFEERO CC1(NC(=O)c2ccc(C#CC[NH3+])s2)CCCCC1 ZINC000045047656 175297233 /nfs/dbraw/zinc/29/72/33/175297233.db2.gz MZBUCWKYEOTKCR-UHFFFAOYSA-N 1 0 276.405 2.511 10 30 CFEERO C[N@H+](CCOc1cccc(C#CCCO)c1)CC(C)(C)C ZINC000045086785 175304260 /nfs/dbraw/zinc/30/42/60/175304260.db2.gz MXAGVASSUFIONN-UHFFFAOYSA-N 1 0 289.419 2.777 10 30 CFEERO C[N@H+](Cc1ccc(F)cc1C#CCO)CC(C)(C)C ZINC000045086829 175304555 /nfs/dbraw/zinc/30/45/55/175304555.db2.gz RCZZRCBCDIZAKI-UHFFFAOYSA-N 1 0 263.356 2.647 10 30 CFEERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000045171561 175321127 /nfs/dbraw/zinc/32/11/27/175321127.db2.gz XIUFQJYXIYOXKO-NSHDSACASA-N 1 0 268.364 2.759 10 30 CFEERO C#CC[NH2+]Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000045945385 175387780 /nfs/dbraw/zinc/38/77/80/175387780.db2.gz QOKMERRISKQCGR-UHFFFAOYSA-N 1 0 267.756 2.859 10 30 CFEERO COc1cccc(OCc2ccccc2C#CC[NH3+])c1 ZINC000049610433 175492449 /nfs/dbraw/zinc/49/24/49/175492449.db2.gz DVNIVSMRYBSQDW-UHFFFAOYSA-N 1 0 267.328 2.584 10 30 CFEERO Cc1cccc(OCCOc2ccc(C#CC[NH3+])cc2)c1 ZINC000049610493 175492478 /nfs/dbraw/zinc/49/24/78/175492478.db2.gz ARBBPNIIEXLMQF-UHFFFAOYSA-N 1 0 281.355 2.763 10 30 CFEERO CC[C@@H]1CCC[N@@H+]1Cc1ccccc1C#CCCO ZINC000049615106 175494236 /nfs/dbraw/zinc/49/42/36/175494236.db2.gz BJRAPQWVDMSCSX-QGZVFWFLSA-N 1 0 257.377 2.795 10 30 CFEERO C[C@@H](Nc1c(C#N)cnc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000050164078 175511309 /nfs/dbraw/zinc/51/13/09/175511309.db2.gz RPGYDVKIAJCNSE-CHWSQXEVSA-N 1 0 280.375 2.906 10 30 CFEERO C=CCC(C)(C)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000067489980 175776239 /nfs/dbraw/zinc/77/62/39/175776239.db2.gz KNNKDVQNYSFVCE-UHFFFAOYSA-N 1 0 278.440 2.923 10 30 CFEERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(C#N)c(Cl)c1 ZINC000071190221 176066489 /nfs/dbraw/zinc/06/64/89/176066489.db2.gz XBONNBAQDMJCGK-NSHDSACASA-N 1 0 263.772 2.600 10 30 CFEERO C=CCN(C(=O)CC[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000071400792 176152991 /nfs/dbraw/zinc/15/29/91/176152991.db2.gz VKDGNQDJFUPSMH-OAHLLOKOSA-N 1 0 260.381 2.890 10 30 CFEERO CC[NH+](CC)CCCN1C(=O)c2c(cccc2F)C1C#N ZINC000071678311 176243033 /nfs/dbraw/zinc/24/30/33/176243033.db2.gz XTWXYQJESIPEKB-AWEZNQCLSA-N 1 0 289.354 2.578 10 30 CFEERO C=C(C)CN(CC)C(=O)CC[C@@H](CCC)CC[NH3+] ZINC000079235667 177452791 /nfs/dbraw/zinc/45/27/91/177452791.db2.gz ZRABVZSOCSFXIA-CQSZACIVSA-N 1 0 254.418 2.956 10 30 CFEERO C=CCN(CC=C)C(=O)CC[C@@H](CCC)CC[NH3+] ZINC000079235657 177452953 /nfs/dbraw/zinc/45/29/53/177452953.db2.gz DIBYVGYTEOBSFH-CQSZACIVSA-N 1 0 252.402 2.732 10 30 CFEERO C=C(C)COCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000090450775 260259441 /nfs/dbraw/zinc/25/94/41/260259441.db2.gz GGIDUNGFAPALAP-LBPRGKRZSA-N 1 0 265.401 2.763 10 30 CFEERO C[NH+]=C(NCC1(C2CC2)CC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000156030263 260778763 /nfs/dbraw/zinc/77/87/63/260778763.db2.gz GLKUEFQUUDSAPX-OKILXGFUSA-N 1 0 275.440 2.874 10 30 CFEERO COCc1ccccc1NC(=[NH2+])NCc1nc(C)cs1 ZINC000121947227 263299273 /nfs/dbraw/zinc/29/92/73/263299273.db2.gz WTAZJNKSMYPZQZ-UHFFFAOYSA-N 1 0 290.392 2.525 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(C#N)cc1F ZINC000092631307 276170330 /nfs/dbraw/zinc/17/03/30/276170330.db2.gz XMBCPMQQIWUACM-CYBMUJFWSA-N 1 0 261.344 2.618 10 30 CFEERO C[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)[C@H]1C[NH3+] ZINC000252203003 278344409 /nfs/dbraw/zinc/34/44/09/278344409.db2.gz UMTBGLWSHFPVHO-ONGXEEELSA-N 1 0 298.312 2.536 10 30 CFEERO C[C@H]([NH3+])C1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000110651629 279394224 /nfs/dbraw/zinc/39/42/24/279394224.db2.gz LGYRGIOWSMIHRP-JTQLQIEISA-N 1 0 263.772 2.775 10 30 CFEERO C[C@H]1CCN(c2ccc(Cl)cc2C#N)C[C@H]1C[NH3+] ZINC000253190919 279728405 /nfs/dbraw/zinc/72/84/05/279728405.db2.gz LOCZRZCNGUUNLI-CMPLNLGQSA-N 1 0 263.772 2.633 10 30 CFEERO C[C@H]([NH3+])C[C@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000320693050 322437479 /nfs/dbraw/zinc/43/74/79/322437479.db2.gz QQDQEXJSBVPVTC-QWRGUYRKSA-N 1 0 254.337 2.644 10 30 CFEERO CC[NH2+][C@H](C)CNc1ccc(C(F)(F)F)cc1C#N ZINC000387473333 324492952 /nfs/dbraw/zinc/49/29/52/324492952.db2.gz TWVWLEOHXJKAIF-SECBINFHSA-N 1 0 271.286 2.987 10 30 CFEERO CCCCCCC[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177280097 329185656 /nfs/dbraw/zinc/18/56/56/329185656.db2.gz JBUGOARWJZWLOE-JKSUJKDBSA-N 1 0 268.445 2.609 10 30 CFEERO [NH2+]=C(NC[C@@H]1CCc2ccccc21)Nc1ccccn1 ZINC000178574193 329200744 /nfs/dbraw/zinc/20/07/44/329200744.db2.gz ALWQLLHLAQBKRP-ZDUSSCGKSA-N 1 0 266.348 2.538 10 30 CFEERO CC[NH+]=C(NCc1ccoc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000179131796 329205509 /nfs/dbraw/zinc/20/55/09/329205509.db2.gz LDFLJCRRAVSVKL-GASCZTMLSA-N 1 0 275.396 2.867 10 30 CFEERO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000181306019 329230726 /nfs/dbraw/zinc/23/07/26/329230726.db2.gz ZNWSQZABHWIHMS-KBPBESRZSA-N 1 0 260.381 2.760 10 30 CFEERO CCOc1cc(NC(N[C@@H]2CC2(C)C)=[NH+]C)ccc1OC ZINC000261683981 329977472 /nfs/dbraw/zinc/97/74/72/329977472.db2.gz DLHYUZKFWNGUTF-CQSZACIVSA-N 1 0 291.395 2.880 10 30 CFEERO CCOc1ccc(NC(N[C@@H]2CC2(C)C)=[NH+]C)cc1OC ZINC000261811681 329984822 /nfs/dbraw/zinc/98/48/22/329984822.db2.gz SQOPWRBETIXTJM-CQSZACIVSA-N 1 0 291.395 2.880 10 30 CFEERO CCOc1ccc(NC(N[C@H]2CC2(C)C)=[NH+]C)cc1OC ZINC000261811678 329984834 /nfs/dbraw/zinc/98/48/34/329984834.db2.gz SQOPWRBETIXTJM-AWEZNQCLSA-N 1 0 291.395 2.880 10 30 CFEERO CC(C)c1nnc(CNC(=[NH2+])NC2CCCCCC2)s1 ZINC000262000335 329996097 /nfs/dbraw/zinc/99/60/97/329996097.db2.gz PFFFEROEOOCKTO-UHFFFAOYSA-N 1 0 295.456 2.789 10 30 CFEERO C[C@@H]1CCCN(C(=[NH2+])NCc2nccc3ccccc32)C1 ZINC000262311121 330005474 /nfs/dbraw/zinc/00/54/74/330005474.db2.gz PBMMHXCELPTBNB-CYBMUJFWSA-N 1 0 282.391 2.781 10 30 CFEERO COC1CCC(C)(CNC(=[NH2+])N2CCC[C@@H](C)C2)CC1 ZINC000262506088 330018635 /nfs/dbraw/zinc/01/86/35/330018635.db2.gz ZUMDPKXWICMOKG-VQCLRJIVSA-N 1 0 281.444 2.628 10 30 CFEERO C[NH+]=C(N[C@@H]1CC1(C)C)N(C)Cc1ccc(OC)cc1 ZINC000262537461 330020140 /nfs/dbraw/zinc/02/01/40/330020140.db2.gz KCZBHQPSVBQABT-CQSZACIVSA-N 1 0 275.396 2.501 10 30 CFEERO C[NH+]=C(N[C@H]1CC1(C)C)N(C)Cc1ccc(OC)cc1 ZINC000262537459 330020232 /nfs/dbraw/zinc/02/02/32/330020232.db2.gz KCZBHQPSVBQABT-AWEZNQCLSA-N 1 0 275.396 2.501 10 30 CFEERO C=CCNC(NC[C@@H]1CCCC[C@H]1C(F)(F)F)=[NH+]C ZINC000262858167 330035557 /nfs/dbraw/zinc/03/55/57/330035557.db2.gz YNYVXWYZMYPYCT-WDEREUQCSA-N 1 0 277.334 2.706 10 30 CFEERO [NH2+]=C(NCc1cnc(C2CC2)o1)Nc1cc(F)ccc1F ZINC000263083984 330042772 /nfs/dbraw/zinc/04/27/72/330042772.db2.gz ICFFONMIDAOZNB-UHFFFAOYSA-N 1 0 292.289 2.757 10 30 CFEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424076443 330220797 /nfs/dbraw/zinc/22/07/97/330220797.db2.gz LVCQVCTVHGLYSD-GWCFXTLKSA-N 1 0 279.771 2.538 10 30 CFEERO C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(Cl)c1 ZINC000424077383 330221026 /nfs/dbraw/zinc/22/10/26/330221026.db2.gz NXSSGSZVDFOYOQ-GXFFZTMASA-N 1 0 279.771 2.538 10 30 CFEERO C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)s1 ZINC000424099940 330232952 /nfs/dbraw/zinc/23/29/52/330232952.db2.gz NFVVMMQFFHWGNJ-BDAKNGLRSA-N 1 0 285.800 2.600 10 30 CFEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164159305 331172902 /nfs/dbraw/zinc/17/29/02/331172902.db2.gz LYTJIMSWWGLOKN-JTQLQIEISA-N 1 0 298.839 2.772 10 30 CFEERO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cc1 ZINC000218998544 333139872 /nfs/dbraw/zinc/13/98/72/333139872.db2.gz HUQAARAILUSCNN-NVXWUHKLSA-N 1 0 275.392 2.892 10 30 CFEERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC#Cc1ccccc1 ZINC000191945692 333227540 /nfs/dbraw/zinc/22/75/40/333227540.db2.gz YXSCMGOVHKXIAS-BZSNNMDCSA-N 1 0 297.398 2.844 10 30 CFEERO C=C(C)COCC[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000134500182 334092254 /nfs/dbraw/zinc/09/22/54/334092254.db2.gz SFHKDPSYFFDFEI-UHFFFAOYSA-N 1 0 288.395 2.695 10 30 CFEERO N#C[C@H]1CCC[C@H]1[NH2+]CCCOCc1ccccc1 ZINC000342781565 335186774 /nfs/dbraw/zinc/18/67/74/335186774.db2.gz MKKHCPDOLMWOMR-HZPDHXFCSA-N 1 0 258.365 2.875 10 30 CFEERO CCCC1CC[NH+](CC[C@](C)(C#N)NCC)CC1 ZINC000050905476 519901705 /nfs/dbraw/zinc/90/17/05/519901705.db2.gz BGEBTQJLSVKCKM-OAHLLOKOSA-N 1 0 251.418 2.780 10 30 CFEERO CCC(C)(C)[N@H+](C)Cc1cc(C#CCO)cs1 ZINC000069443129 521303876 /nfs/dbraw/zinc/30/38/76/521303876.db2.gz AQNDZMFXWLBZCN-UHFFFAOYSA-N 1 0 251.395 2.712 10 30 CFEERO CC(C)(C)[NH2+]Cc1nccn1Cc1ccc(C#N)cc1F ZINC000051015480 518768796 /nfs/dbraw/zinc/76/87/96/518768796.db2.gz OREUMWCKNUORRB-UHFFFAOYSA-N 1 0 286.354 2.830 10 30 CFEERO CC(C)C[C@H](C[NH+](C)C)Nc1ccc(C#N)cc1N ZINC000049555036 519343057 /nfs/dbraw/zinc/34/30/57/519343057.db2.gz WJKOBJCPYOYYCU-CYBMUJFWSA-N 1 0 260.385 2.529 10 30 CFEERO CC(C)CC[C@@H](C)NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000069235770 519681905 /nfs/dbraw/zinc/68/19/05/519681905.db2.gz ZLIPQEFZUYHLFG-CYBMUJFWSA-N 1 0 290.382 2.690 10 30 CFEERO CC(C)CC[C@H](C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000069235769 519691498 /nfs/dbraw/zinc/69/14/98/519691498.db2.gz IAGCVEOBVQKSLF-AWEZNQCLSA-N 1 0 272.392 2.551 10 30 CFEERO CC(C)N[C@@H](C#N)CC[N@H+](C)CC1CCCCC1 ZINC000062437864 519733705 /nfs/dbraw/zinc/73/37/05/519733705.db2.gz LQJNIMUJVWURST-OAHLLOKOSA-N 1 0 251.418 2.779 10 30 CFEERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC000049555978 519775998 /nfs/dbraw/zinc/77/59/98/519775998.db2.gz XHZWIEXQMOFNHK-HNNXBMFYSA-N 1 0 277.387 2.763 10 30 CFEERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000049558273 519776212 /nfs/dbraw/zinc/77/62/12/519776212.db2.gz MKYSXURLMXHXBX-ZDUSSCGKSA-N 1 0 290.367 2.855 10 30 CFEERO CCCN[C@H](C#N)CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000062435357 520059493 /nfs/dbraw/zinc/05/94/93/520059493.db2.gz IICIULGGTHMYMQ-PMPSAXMXSA-N 1 0 263.429 2.923 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(C#N)c(F)c1 ZINC000192053198 521651760 /nfs/dbraw/zinc/65/17/60/521651760.db2.gz QPQDTELNVIFVSD-HNNXBMFYSA-N 1 0 275.371 2.613 10 30 CFEERO C[NH2+]CC[C@@H]1CCCCN1Cc1cc(F)ccc1C#N ZINC000069402201 522019185 /nfs/dbraw/zinc/01/91/85/522019185.db2.gz GZAPZGREXHQVCW-INIZCTEOSA-N 1 0 275.371 2.661 10 30 CFEERO C[NH2+]C[C@H]1CCCN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000156667039 522088591 /nfs/dbraw/zinc/08/85/91/522088591.db2.gz ICPBCQFANWTTIM-GFCCVEGCSA-N 1 0 283.297 2.765 10 30 CFEERO COc1cc(C[NH2+]C(C)(C)C)ccc1O[C@H](C)C#N ZINC000062731837 522440104 /nfs/dbraw/zinc/44/01/04/522440104.db2.gz AFXNCXOSUHODGE-LLVKDONJSA-N 1 0 262.353 2.874 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)[C@@H](C)CC#N ZINC000063085472 522649720 /nfs/dbraw/zinc/64/97/20/522649720.db2.gz RPODUNFILBXVNA-LOWVWBTDSA-N 1 0 251.399 2.760 10 30 CFEERO C[C@@H](CC[NH3+])Nc1ccc(C(F)(F)F)cc1C#N ZINC000310775584 524480436 /nfs/dbraw/zinc/48/04/36/524480436.db2.gz QGDKTCDIAMMLBV-QMMMGPOBSA-N 1 0 257.259 2.726 10 30 CFEERO C[C@@H](C[NH+]1CCCC1)N[C@H](CC#N)c1ccccc1 ZINC000055017977 524594378 /nfs/dbraw/zinc/59/43/78/524594378.db2.gz SHTGIPVEMRLSHK-GOEBONIOSA-N 1 0 257.381 2.715 10 30 CFEERO Cc1ccc([C@H](C[NH3+])N(C)c2cccc(C#N)c2)o1 ZINC000061950316 525952360 /nfs/dbraw/zinc/95/23/60/525952360.db2.gz BHJNIJLAYGDDBA-AWEZNQCLSA-N 1 0 255.321 2.596 10 30 CFEERO Cc1ccc(C#N)cc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000050428942 526006440 /nfs/dbraw/zinc/00/64/40/526006440.db2.gz JAHYJUGDNIDSQW-GOOCMWNKSA-N 1 0 255.365 2.904 10 30 CFEERO C[C@H]1CCCC[C@]12NCC[NH+]=C2NCc1cccc(F)c1 ZINC000046153243 526263569 /nfs/dbraw/zinc/26/35/69/526263569.db2.gz LPAKEXKWZXNPTJ-GUYCJALGSA-N 1 0 289.398 2.866 10 30 CFEERO N#Cc1ccc(F)cc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000069402134 526640165 /nfs/dbraw/zinc/64/01/65/526640165.db2.gz GDICCNPKPHUIIJ-IRXDYDNUSA-N 1 0 287.382 2.804 10 30 CFEERO N#Cc1ccc(OC2CC[NH2+]CC2)cc1C(F)(F)F ZINC000051865483 526670656 /nfs/dbraw/zinc/67/06/56/526670656.db2.gz YRMHGVWVVXCARV-UHFFFAOYSA-N 1 0 270.254 2.708 10 30 CFEERO N#Cc1ccccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160537545 526735126 /nfs/dbraw/zinc/73/51/26/526735126.db2.gz FVQYCGMHKZLFDD-UHFFFAOYSA-N 1 0 266.348 2.661 10 30 CFEERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)no1 ZINC000195517851 526924035 /nfs/dbraw/zinc/92/40/35/526924035.db2.gz ZDUSMDARODPLNT-MRXNPFEDSA-N 1 0 296.374 2.704 10 30 CFEERO Cc1nc(N[C@@H](C[NH3+])CC(C)C)c(Cl)cc1C#N ZINC000311157125 527000504 /nfs/dbraw/zinc/00/05/04/527000504.db2.gz XMESYQSXSUAXEB-LLVKDONJSA-N 1 0 266.776 2.700 10 30 CFEERO CCC[NH+]1CCC(NC(=O)C[C@@H]2CCCCNC2=O)CC1 ZINC000329498783 528180339 /nfs/dbraw/zinc/18/03/39/528180339.db2.gz XYVHRLGQPHRSFW-ZDUSSCGKSA-N 1 0 295.427 2.964 10 30 CFEERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000261585392 618117380 /nfs/dbraw/zinc/11/73/80/618117380.db2.gz IKEGZOSJICJUOZ-PRHODGIISA-N 1 0 269.270 2.503 10 30 CFEERO C[NH2+]C[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000052858674 618203187 /nfs/dbraw/zinc/20/31/87/618203187.db2.gz BWTMNOHWTKGLGE-LLVKDONJSA-N 1 0 263.772 2.647 10 30 CFEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000119308799 619129766 /nfs/dbraw/zinc/12/97/66/619129766.db2.gz GDZINFRMSBZSSP-UWVGGRQHSA-N 1 0 299.201 2.782 10 30 CFEERO C[NH2+][C@H](C)CNc1ccc(C(F)(F)F)cc1C#N ZINC000261593241 619173879 /nfs/dbraw/zinc/17/38/79/619173879.db2.gz ZBLZYSGVXPXRPU-MRVPVSSYSA-N 1 0 257.259 2.597 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261608944 619177578 /nfs/dbraw/zinc/17/75/78/619177578.db2.gz DMPPKMSYLDVTTA-GXFFZTMASA-N 1 0 295.308 2.765 10 30 CFEERO CCCCCCCCCC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000232932033 619180197 /nfs/dbraw/zinc/18/01/97/619180197.db2.gz UDPYHJFSPRCYSW-ZIAGYGMSSA-N 1 0 254.418 2.933 10 30 CFEERO C[C@H]1CCN(c2nc3ccccc3cc2C#N)C[C@@H]1C[NH3+] ZINC000163952214 622932129 /nfs/dbraw/zinc/93/21/29/622932129.db2.gz ASJVCVLFAQXNCO-WFASDCNBSA-N 1 0 280.375 2.528 10 30 CFEERO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000165692915 622995184 /nfs/dbraw/zinc/99/51/84/622995184.db2.gz MITVETZQAMWYQP-INIZCTEOSA-N 1 0 256.349 2.668 10 30 CFEERO CCCCCCCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174299031 623408327 /nfs/dbraw/zinc/40/83/27/623408327.db2.gz VJFUIXJZYCPJLG-JKSUJKDBSA-N 1 0 298.471 2.651 10 30 CFEERO C=CCc1cc(OC)cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1O ZINC000111677883 635136565 /nfs/dbraw/zinc/13/65/65/635136565.db2.gz FKYMFDVDOPNCRN-CHWSQXEVSA-N 1 0 291.391 2.739 10 30 CFEERO CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000118199202 637163726 /nfs/dbraw/zinc/16/37/26/637163726.db2.gz SRTPZWVMGJIMPP-HUUCEWRRSA-N 1 0 256.434 2.656 10 30 CFEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000119191276 637523402 /nfs/dbraw/zinc/52/34/02/637523402.db2.gz KNEOOLABZPIVQQ-HUUCEWRRSA-N 1 0 286.419 2.674 10 30 CFEERO C#CCOc1ccccc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000245546694 650822477 /nfs/dbraw/zinc/82/24/77/650822477.db2.gz VQJVFMRVYXOYKA-AEFFLSMTSA-N 1 0 285.387 2.842 10 30 CFEERO C#CCOc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000245544318 650822545 /nfs/dbraw/zinc/82/25/45/650822545.db2.gz RYPYKSSFFPBZTE-MSOLQXFVSA-N 1 0 285.387 2.842 10 30 CFEERO C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H]1CCC[NH2+]C1 ZINC000094337364 650956574 /nfs/dbraw/zinc/95/65/74/650956574.db2.gz BTAYXLSJHSSQGM-KOLCDFICSA-N 1 0 298.312 2.772 10 30 CFEERO C[C@@]1(CNc2cc(C#N)c3ccccc3n2)CCC[NH2+]C1 ZINC000129407425 645189465 /nfs/dbraw/zinc/18/94/65/645189465.db2.gz RMDRVRLEVOPVQU-QGZVFWFLSA-N 1 0 280.375 2.908 10 30 CFEERO C#C[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000253161094 651038607 /nfs/dbraw/zinc/03/86/07/651038607.db2.gz UIBAIKJMCJKRAE-MJBXVCDLSA-N 1 0 280.412 2.633 10 30 CFEERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000300054939 647301801 /nfs/dbraw/zinc/30/18/01/647301801.db2.gz FYXICAQKHTWKLD-MJBXVCDLSA-N 1 0 293.411 2.668 10 30 CFEERO CC1CCC(NC(=O)C[N+](C)(C)C2CCCC2)CC1 ZINC000029413872 717118593 /nfs/dbraw/zinc/11/85/93/717118593.db2.gz RXIOBKNXIBYLIG-UHFFFAOYSA-O 1 0 267.437 2.700 10 30 CFEERO C=C(C)C(=O)OC[C@H](C)[N+](C)(C)Cc1ccccc1 ZINC000033611515 717121465 /nfs/dbraw/zinc/12/14/65/717121465.db2.gz ZPMREDYHRVLBMB-AWEZNQCLSA-N 1 0 262.373 2.771 10 30 CFEERO COc1ccccc1OCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000595692373 349704229 /nfs/dbraw/zinc/70/42/29/349704229.db2.gz NULMDOIHFUOARK-KBPBESRZSA-N 1 0 274.364 2.746 10 30 CFEERO COc1ccc(OCC[NH2+][C@H]2CCCC[C@@H]2C#N)cc1 ZINC000595697635 349707803 /nfs/dbraw/zinc/70/78/03/349707803.db2.gz JWUMNHBXIVEYEX-CJNGLKHVSA-N 1 0 274.364 2.746 10 30 CFEERO C[C@H]1C/C(=N\OC[C@@H](O)C[NH2+]C(C)(C)C)CC(C)(C)C1 ZINC000038811121 346340046 /nfs/dbraw/zinc/34/00/46/346340046.db2.gz YQZGYLVYTGIJAX-LQQXWXFQSA-N 1 0 284.444 2.954 10 30 CFEERO Cc1nc(N(C)CC[C@@H]([NH3+])C(C)C)c(Cl)cc1C#N ZINC000311991976 293289744 /nfs/dbraw/zinc/28/97/44/293289744.db2.gz SIPQPQLRMLYCGA-CYBMUJFWSA-N 1 0 280.803 2.725 10 30 CFEERO C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C[C@H]1C[NH3+] ZINC000253185361 136710820 /nfs/dbraw/zinc/71/08/20/136710820.db2.gz IDQWYYIRCWKDFJ-CMPLNLGQSA-N 1 0 263.772 2.633 10 30 CFEERO C[NH2+]CCON=C(c1ccccc1)c1ccccc1 ZINC000115269286 347777899 /nfs/dbraw/zinc/77/78/99/347777899.db2.gz UMIKJZHWBMPRSD-UHFFFAOYSA-N 1 0 254.333 2.675 10 30 CFEERO Cc1cc(C#N)ccc1CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000165495791 348040189 /nfs/dbraw/zinc/04/01/89/348040189.db2.gz UFPKNHCJDZHBAI-MAUKXSAKSA-N 1 0 283.419 2.925 10 30 CFEERO C#CC[C@@H]([NH2+]C)c1cc(F)ccc1Br ZINC000168572158 348048943 /nfs/dbraw/zinc/04/89/43/348048943.db2.gz YTFCFSUMMNEMFF-LLVKDONJSA-N 1 0 256.118 2.872 10 30 CFEERO C[NH+](C)CCCN1CCC(C#N)(Cc2ccccc2)CC1 ZINC000219250832 348168376 /nfs/dbraw/zinc/16/83/76/348168376.db2.gz CFOMAWMRBMQPCU-UHFFFAOYSA-N 1 0 285.435 2.787 10 30 CFEERO CCCCCCCCCN(C)CC[NH2+]CCOC ZINC000104083743 185894647 /nfs/dbraw/zinc/89/46/47/185894647.db2.gz PTATYFFQEQCGCW-UHFFFAOYSA-N 1 0 258.450 2.905 10 30 CFEERO CC(=O)N(C1CCC1)[C@@H]1CCC[N@H+](CCCC#N)CC1 ZINC000328654668 348441771 /nfs/dbraw/zinc/44/17/71/348441771.db2.gz XPIJCUXNCSUTTE-MRXNPFEDSA-N 1 0 277.412 2.546 10 30 CFEERO C[NH2+]Cc1ccccc1CNc1nccc(C)c1C#N ZINC000404563600 348593258 /nfs/dbraw/zinc/59/32/58/348593258.db2.gz YIHZLKSNIWSHCA-UHFFFAOYSA-N 1 0 266.348 2.593 10 30 CFEERO N#Cc1ccc(Oc2c[nH]nc2[C@H]2CCC[NH2+]C2)cc1 ZINC000584599180 348685145 /nfs/dbraw/zinc/68/51/45/348685145.db2.gz QPIMMRJMQVCLPX-LBPRGKRZSA-N 1 0 268.320 2.541 10 30 CFEERO C=CC[NH+](CC=C)C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000584627840 348694738 /nfs/dbraw/zinc/69/47/38/348694738.db2.gz KDVYCWWJAYQUKI-KRWDZBQOSA-N 1 0 287.403 2.589 10 30 CFEERO N#CC1(c2cnccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000584636516 348698152 /nfs/dbraw/zinc/69/81/52/348698152.db2.gz YOVCBDSSRGKWSO-UHFFFAOYSA-N 1 0 278.359 2.534 10 30 CFEERO CC(C)[NH2+]Cc1cccn1Cc1ccccc1C#N ZINC000091001085 180083479 /nfs/dbraw/zinc/08/34/79/180083479.db2.gz LOQLLTUZABZLHU-UHFFFAOYSA-N 1 0 253.349 2.906 10 30 CFEERO C[C@@H]([NH3+])c1nc2ccc(C#N)cc2n1-c1ccccc1 ZINC000091692149 180228420 /nfs/dbraw/zinc/22/84/20/180228420.db2.gz WWZLYSBJNRDGFZ-LLVKDONJSA-N 1 0 262.316 2.917 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(C)c(C#N)c1 ZINC000599307974 350411275 /nfs/dbraw/zinc/41/12/75/350411275.db2.gz PJOUGHXJJSWUFE-QGZVFWFLSA-N 1 0 271.408 2.783 10 30 CFEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000600952525 350636054 /nfs/dbraw/zinc/63/60/54/350636054.db2.gz XXACXRXOYHNTNF-DZGCQCFKSA-N 1 0 266.348 2.659 10 30 CFEERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC000123076141 187069665 /nfs/dbraw/zinc/06/96/65/187069665.db2.gz XEGOIOCFGZCCCS-ZDUSSCGKSA-N 1 0 286.404 2.962 10 30 CFEERO N#Cc1cc(Br)ccc1NC[C@@H]1CCC[NH2+]C1 ZINC000132309685 187620366 /nfs/dbraw/zinc/62/03/66/187620366.db2.gz MRDJWXGWJVLOFO-SNVBAGLBSA-N 1 0 294.196 2.732 10 30 CFEERO N#Cc1ccc(NC[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000133790844 187707051 /nfs/dbraw/zinc/70/70/51/187707051.db2.gz NUMRBZMZAXMJRE-VIFPVBQESA-N 1 0 269.270 2.598 10 30 CFEERO Cn1nccc1C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000157983448 282860752 /nfs/dbraw/zinc/86/07/52/282860752.db2.gz CVKZJNLOAUQHGP-UHFFFAOYSA-N 1 0 297.377 2.790 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H]1C[NH3+] ZINC000132001702 283092402 /nfs/dbraw/zinc/09/24/02/283092402.db2.gz MTBRNFXAACNWIR-NSHDSACASA-N 1 0 269.270 2.505 10 30 CFEERO N#Cc1cc(F)c(N[C@@H](C[NH3+])C2CCCC2)c(F)c1 ZINC000236202787 283097332 /nfs/dbraw/zinc/09/73/32/283097332.db2.gz JCPCHCUAFDJMSV-ZDUSSCGKSA-N 1 0 265.307 2.766 10 30 CFEERO C[N+](C)(C)/C=C/C(=O)c1ccc(Br)cc1 ZINC000000157965 371545366 /nfs/dbraw/zinc/54/53/66/371545366.db2.gz LLGCFTGJPXBSCT-CMDGGOBGSA-N 1 0 269.162 2.852 10 30 CFEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020316359 372237976 /nfs/dbraw/zinc/23/79/76/372237976.db2.gz ACQYLHWNEUYUMU-DAZFMJRUSA-N 1 0 290.451 2.872 10 30 CFEERO C=C[C@@](C)(O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036115425 372560865 /nfs/dbraw/zinc/56/08/65/372560865.db2.gz ALXXMKDEYFKHDO-DLBZAZTESA-N 1 0 293.382 2.744 10 30 CFEERO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000042251565 372895797 /nfs/dbraw/zinc/89/57/97/372895797.db2.gz ZBVVWYFNWFEBFC-DLBZAZTESA-N 1 0 286.375 2.580 10 30 CFEERO C[C@@H](Nc1cc(C#N)c2ccccc2n1)[C@H]1CCC[NH2+]C1 ZINC000068770919 374038891 /nfs/dbraw/zinc/03/88/91/374038891.db2.gz YKSRXWVUDHMQTR-OLZOCXBDSA-N 1 0 280.375 2.906 10 30 CFEERO CC(C)[C@H]([NH3+])CNc1cc(C#N)c2ccccc2n1 ZINC000070447924 374178106 /nfs/dbraw/zinc/17/81/06/374178106.db2.gz ZKFBEELFDAVLIQ-CYBMUJFWSA-N 1 0 254.337 2.502 10 30 CFEERO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000078595279 374568989 /nfs/dbraw/zinc/56/89/89/374568989.db2.gz OGURPYWEHHSRDS-GJZGRUSLSA-N 1 0 287.407 2.956 10 30 CFEERO C[C@@H]1C[C@@](O)(C#CSc2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000256006435 190000937 /nfs/dbraw/zinc/00/09/37/190000937.db2.gz VGLYEXWKUDZFMV-LZWOXQAQSA-N 1 0 275.417 2.831 10 30 CFEERO C[C@@H]1C[C@](O)(C#CSCc2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000256009035 190001622 /nfs/dbraw/zinc/00/16/22/190001622.db2.gz WLHLVECYSXWTCK-ZMSDIMECSA-N 1 0 289.444 2.972 10 30 CFEERO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000118400192 376293171 /nfs/dbraw/zinc/29/31/71/376293171.db2.gz ZKOWDYMGMYKIIT-BBRMVZONSA-N 1 0 280.375 2.842 10 30 CFEERO C=CCOc1cccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000126691650 377243684 /nfs/dbraw/zinc/24/36/84/377243684.db2.gz VAIISAWEKRAYNF-NVXWUHKLSA-N 1 0 286.419 2.920 10 30 CFEERO C[C@@]1(CNc2nc(C(F)(F)F)ccc2C#N)CCC[NH2+]C1 ZINC000129401637 377423104 /nfs/dbraw/zinc/42/31/04/377423104.db2.gz QWXSKYMECWXCLF-CYBMUJFWSA-N 1 0 298.312 2.774 10 30 CFEERO COc1ccc(O)c(/C=N/C[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000129621238 377454440 /nfs/dbraw/zinc/45/44/40/377454440.db2.gz OGCGUQNRHLWNMU-BFERYNQYSA-N 1 0 290.407 2.940 10 30 CFEERO C=C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000130607352 377582107 /nfs/dbraw/zinc/58/21/07/377582107.db2.gz ATMFIKIUVSJASU-NVXWUHKLSA-N 1 0 286.419 2.947 10 30 CFEERO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CC(C)(C)CCC#N ZINC000131552433 377727095 /nfs/dbraw/zinc/72/70/95/377727095.db2.gz SBVXPUVEAFBXTH-GFCCVEGCSA-N 1 0 268.401 2.978 10 30 CFEERO C=CCC(CC=C)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000151396824 378322311 /nfs/dbraw/zinc/32/23/11/378322311.db2.gz ZPCIYNOAFZTKRQ-INIZCTEOSA-N 1 0 287.407 2.951 10 30 CFEERO CCNC(=[NH+]N)N(Cc1ccccc1)Cc1ccccc1 ZINC000157093398 378649044 /nfs/dbraw/zinc/64/90/44/378649044.db2.gz QHQPQCUIWDHWTB-UHFFFAOYSA-N 1 0 282.391 2.528 10 30 CFEERO N#Cc1cc(F)c(N[C@H]2CCC[C@H]([NH3+])C2)c(F)c1 ZINC000335581938 379553760 /nfs/dbraw/zinc/55/37/60/379553760.db2.gz NXZZFHDIUGEZCG-UWVGGRQHSA-N 1 0 251.280 2.518 10 30 CFEERO C=C(C)COCC[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000182630242 381123717 /nfs/dbraw/zinc/12/37/17/381123717.db2.gz JWUZBKKDDAAURJ-AWEZNQCLSA-N 1 0 263.381 2.981 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C#N)cs1 ZINC000184053192 381362955 /nfs/dbraw/zinc/36/29/55/381362955.db2.gz GWWMWOGLQPJNCY-ZIAGYGMSSA-N 1 0 275.421 2.678 10 30 CFEERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@H]1C#N ZINC000350458580 382012527 /nfs/dbraw/zinc/01/25/27/382012527.db2.gz JZNDBQIAOGUQDD-UBDQQSCGSA-N 1 0 283.419 2.789 10 30 CFEERO CC[NH+](CC)[C@@H](C)CNc1cc(C)nc(C)c1C#N ZINC000301791003 382192892 /nfs/dbraw/zinc/19/28/92/382192892.db2.gz QPECHHZLZIIDNN-LBPRGKRZSA-N 1 0 260.385 2.712 10 30 CFEERO Cc1nc([C@@H](C)[NH2+]CCCSCC#N)cs1 ZINC000309412170 382489175 /nfs/dbraw/zinc/48/91/75/382489175.db2.gz ISNFKKVLBKZRMX-SECBINFHSA-N 1 0 255.412 2.749 10 30 CFEERO C[C@H](C[C@H](C)[NH3+])Nc1c(C#N)cnc2ccccc21 ZINC000320709054 382538390 /nfs/dbraw/zinc/53/83/90/382538390.db2.gz UAIPSEPUELKPNF-WDEREUQCSA-N 1 0 254.337 2.644 10 30 CFEERO C=CCCCCC[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000193337815 382718989 /nfs/dbraw/zinc/71/89/89/382718989.db2.gz APJBWEDJHDUYAO-UHFFFAOYSA-N 1 0 290.455 2.674 10 30 CFEERO N#Cc1ccc(OCC[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000217346682 382785792 /nfs/dbraw/zinc/78/57/92/382785792.db2.gz LJDVXUJCMLZPNY-SJORKVTESA-N 1 0 286.375 2.580 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1 ZINC000245442849 383000902 /nfs/dbraw/zinc/00/09/02/383000902.db2.gz WQWWRWBCMOBQDX-IRXDYDNUSA-N 1 0 269.392 2.617 10 30 CFEERO Clc1ccc(C#CCN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000246457188 383076934 /nfs/dbraw/zinc/07/69/34/383076934.db2.gz VRIVDNYXRKIDFH-KRWDZBQOSA-N 1 0 288.822 2.862 10 30 CFEERO Clc1cccc(C#CCN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000247004956 383130545 /nfs/dbraw/zinc/13/05/45/383130545.db2.gz XBGJGYQRAXBLTB-KRWDZBQOSA-N 1 0 288.822 2.862 10 30 CFEERO N#CCC[C@](C#N)(c1ccccc1)C1CC[NH2+]CC1 ZINC000584649354 383113579 /nfs/dbraw/zinc/11/35/79/383113579.db2.gz RUCTVLMLGCMCSB-INIZCTEOSA-N 1 0 253.349 2.751 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C#N)c1 ZINC000247527145 383181577 /nfs/dbraw/zinc/18/15/77/383181577.db2.gz NXCLAUVHBINLSX-HOTGVXAUSA-N 1 0 298.390 2.649 10 30 CFEERO CC#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248401445 383236465 /nfs/dbraw/zinc/23/64/65/383236465.db2.gz ZMGXYALXQLKPNI-KKUMJFAQSA-N 1 0 292.423 2.635 10 30 CFEERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000249614913 383354033 /nfs/dbraw/zinc/35/40/33/383354033.db2.gz SVIUTAXIKBYVHH-CZUORRHYSA-N 1 0 257.381 2.693 10 30 CFEERO N#Cc1c(Cl)cccc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250792486 383380958 /nfs/dbraw/zinc/38/09/58/383380958.db2.gz SYXGMBQTQPKQPO-LBPRGKRZSA-N 1 0 275.783 2.886 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(C#N)cc1F ZINC000252661994 383424803 /nfs/dbraw/zinc/42/48/03/383424803.db2.gz SODRMZKPCMAXTP-BBRMVZONSA-N 1 0 287.382 2.756 10 30 CFEERO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253090486 383443271 /nfs/dbraw/zinc/44/32/71/383443271.db2.gz IGBHZRMHGKAKPI-KFWWJZLASA-N 1 0 264.413 2.942 10 30 CFEERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N ZINC000261593477 383524426 /nfs/dbraw/zinc/52/44/26/383524426.db2.gz ZEBNBSDZDBDGDF-SFYZADRCSA-N 1 0 257.259 2.725 10 30 CFEERO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000282299623 385277359 /nfs/dbraw/zinc/27/73/59/385277359.db2.gz RRTHGSOCCWIZNO-YWVIFJGQSA-N 1 0 258.365 2.851 10 30 CFEERO C[C@@H]1CC(C[NH2+]Cc2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000282342335 385287833 /nfs/dbraw/zinc/28/78/33/385287833.db2.gz VECPDPHVNCIICA-VXGBXAGGSA-N 1 0 276.355 2.991 10 30 CFEERO C=CCSc1ccccc1NC(=O)CC1C[NH2+]C1 ZINC000081749176 177853184 /nfs/dbraw/zinc/85/31/84/177853184.db2.gz VKDKBVOSGKTVLT-UHFFFAOYSA-N 1 0 262.378 2.513 10 30 CFEERO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000186204267 393541306 /nfs/dbraw/zinc/54/13/06/393541306.db2.gz TYLKUMQPWNYRFB-QGZVFWFLSA-N 1 0 280.375 2.937 10 30 CFEERO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000186233468 393541366 /nfs/dbraw/zinc/54/13/66/393541366.db2.gz QDOXBLBMNBVIOS-INIZCTEOSA-N 1 0 280.375 2.590 10 30 CFEERO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(Cl)c1 ZINC000181420569 393495269 /nfs/dbraw/zinc/49/52/69/393495269.db2.gz HDJXQHUPVPYIKM-LBPRGKRZSA-N 1 0 293.798 2.753 10 30 CFEERO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000183018865 393516004 /nfs/dbraw/zinc/51/60/04/393516004.db2.gz NJZHHZVABFREMP-SNVBAGLBSA-N 1 0 299.827 2.814 10 30 CFEERO C=CCC[C@@H](O)C[N@@H+](CCOC)Cc1ccsc1 ZINC000036099267 393522214 /nfs/dbraw/zinc/52/22/14/393522214.db2.gz WTIYFURMCDSJCV-CQSZACIVSA-N 1 0 269.410 2.524 10 30 CFEERO C/C(=N\O)c1ccc2c(c1)C[C@@H]([NH+]1CCCCC1)C2 ZINC000223857844 393766585 /nfs/dbraw/zinc/76/65/85/393766585.db2.gz LZPLVICOBAUCSV-WLSWZUKCSA-N 1 0 258.365 2.838 10 30 CFEERO N#Cc1csc(CN2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000245512736 393812692 /nfs/dbraw/zinc/81/26/92/393812692.db2.gz AULVIXRNCSKENC-ZIAGYGMSSA-N 1 0 262.378 2.763 10 30 CFEERO C[C@H]([NH3+])C1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000110651538 393881609 /nfs/dbraw/zinc/88/16/09/393881609.db2.gz ASDISJCEQNNDQU-LBPRGKRZSA-N 1 0 280.375 2.670 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(C#N)cc1Cl ZINC000174924152 394380158 /nfs/dbraw/zinc/38/01/58/394380158.db2.gz SDTIUKITAICPIA-CHWSQXEVSA-N 1 0 290.798 2.670 10 30 CFEERO CC(C)c1cc[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002555858 169808273 /nfs/dbraw/zinc/80/82/73/169808273.db2.gz BTFMPYGRMQMJIR-UHFFFAOYSA-N 1 0 285.323 2.889 10 30 CFEERO C=CCn1c2cccc3c2n(c1=O)C[C@H](C)[N@H+](CCC)C3 ZINC000006380305 170196447 /nfs/dbraw/zinc/19/64/47/170196447.db2.gz PTAMADXZQDBKRB-ZDUSSCGKSA-N 1 0 285.391 2.603 10 30 CFEERO CN/C(=[NH+]\C)SCc1ccc(Br)cc1 ZINC000007751413 170300403 /nfs/dbraw/zinc/30/04/03/170300403.db2.gz CIEGGVBUQHVQRI-UHFFFAOYSA-N 1 0 273.199 2.888 10 30 CFEERO C#CC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000019875557 170904697 /nfs/dbraw/zinc/90/46/97/170904697.db2.gz CCWYUWWSLKBSIN-LLVKDONJSA-N 1 0 253.292 2.832 10 30 CFEERO N#Cc1ccc(C[NH2+]CCCOCc2ccco2)cc1 ZINC000020147058 171033756 /nfs/dbraw/zinc/03/37/56/171033756.db2.gz FAOSRQXMBGVRJY-UHFFFAOYSA-N 1 0 270.332 2.848 10 30 CFEERO CC(C)COCCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC000035017536 171934025 /nfs/dbraw/zinc/93/40/25/171934025.db2.gz LMQIUIJJVXJKDB-UHFFFAOYSA-N 1 0 276.380 2.741 10 30 CFEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCCCC ZINC000661114662 413764876 /nfs/dbraw/zinc/76/48/76/413764876.db2.gz JLEIKTSYADCLEV-BZUAXINKSA-N 1 0 269.429 2.889 10 30 CFEERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037393476 173173573 /nfs/dbraw/zinc/17/35/73/173173573.db2.gz YICIAHNTPIZWQM-PELKAZGASA-N 1 0 265.744 2.524 10 30 CFEERO C=C(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038652316 174150663 /nfs/dbraw/zinc/15/06/63/174150663.db2.gz AMTKJHWIWZRTEY-HNNXBMFYSA-N 1 0 259.349 2.770 10 30 CFEERO Cc1sc(NC(=O)C[NH2+]C2CCCC2)c(C#N)c1C ZINC000040415556 174255675 /nfs/dbraw/zinc/25/56/75/174255675.db2.gz ZTNJAJFKWXDJIL-UHFFFAOYSA-N 1 0 277.393 2.707 10 30 CFEERO N#Cc1c2c(sc1NC(=O)C1([NH3+])CCCCC1)CCC2 ZINC000040853167 174421504 /nfs/dbraw/zinc/42/15/04/174421504.db2.gz WPDCRPUBMZCZNE-UHFFFAOYSA-N 1 0 289.404 2.709 10 30 CFEERO C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N(CCC#N)C1CC1 ZINC000042915613 174915575 /nfs/dbraw/zinc/91/55/75/174915575.db2.gz CPUUVJNYJSALSF-NHYWBVRUSA-N 1 0 261.344 2.592 10 30 CFEERO Cc1c(F)cccc1NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000043322876 175006585 /nfs/dbraw/zinc/00/65/85/175006585.db2.gz IHIIRVHZLDGXCR-UHFFFAOYSA-N 1 0 282.318 2.697 10 30 CFEERO C[C@@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)c1ccco1 ZINC000043337814 175012785 /nfs/dbraw/zinc/01/27/85/175012785.db2.gz UTFZPYKIGDPUCY-OTYXRUKQSA-N 1 0 260.268 2.758 10 30 CFEERO C[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)c1ccccn1 ZINC000043343827 175016471 /nfs/dbraw/zinc/01/64/71/175016471.db2.gz XHRGKTNULUHAAA-MEBBXXQBSA-N 1 0 271.295 2.560 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1C#N)C(F)(F)F ZINC000043384076 175031321 /nfs/dbraw/zinc/03/13/21/175031321.db2.gz UVVOLFJYOBPWEQ-KOLCDFICSA-N 1 0 258.243 2.605 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)C(F)(F)F ZINC000043384413 175031505 /nfs/dbraw/zinc/03/15/05/175031505.db2.gz XZRVWCWBODIBMN-GHMZBOCLSA-N 1 0 258.243 2.605 10 30 CFEERO Cc1ccc(C#N)c(NC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000043395580 175035482 /nfs/dbraw/zinc/03/54/82/175035482.db2.gz IPAXRYNBAHIJER-CYBMUJFWSA-N 1 0 258.369 2.548 10 30 CFEERO CC[NH2+]Cc1cccc(Br)c1O[C@@H](C)C#N ZINC000043513832 175061399 /nfs/dbraw/zinc/06/13/99/175061399.db2.gz ZTUCUNYKBWKJQA-VIFPVBQESA-N 1 0 283.169 2.849 10 30 CFEERO CCCOc1ccc(C[NH2+]CC)c(O[C@@H](C)C#N)c1 ZINC000043513647 175061732 /nfs/dbraw/zinc/06/17/32/175061732.db2.gz MGVRGTSIEXAIIM-LBPRGKRZSA-N 1 0 262.353 2.876 10 30 CFEERO CC[C@@H](C#N)Oc1ccc(Br)cc1C[NH2+]C ZINC000043538714 175063800 /nfs/dbraw/zinc/06/38/00/175063800.db2.gz LASJOPMYVOSPSL-NSHDSACASA-N 1 0 283.169 2.849 10 30 CFEERO CC[C@@H](C#N)Oc1cc(OC)ccc1C[NH2+]C1CC1 ZINC000043539002 175063808 /nfs/dbraw/zinc/06/38/08/175063808.db2.gz YVROMTNDFKWXAG-ZDUSSCGKSA-N 1 0 260.337 2.628 10 30 CFEERO CC[C@H](C#N)Oc1ccc(C[C@@H](C)[NH3+])cc1Cl ZINC000043543689 175064137 /nfs/dbraw/zinc/06/41/37/175064137.db2.gz QXNAXRSLUYSYBO-MWLCHTKSSA-N 1 0 252.745 2.911 10 30 CFEERO CC[C@H](C#N)Oc1c(OC)cc(C[C@@H]([NH3+])CC)cc1OC ZINC000043543646 175064180 /nfs/dbraw/zinc/06/41/80/175064180.db2.gz VJVLWVDXJVHPDQ-QWHCGFSZSA-N 1 0 292.379 2.665 10 30 CFEERO CC[C@@H]([NH3+])Cc1ccc(OC)c(O[C@H](C#N)CC)c1 ZINC000043543629 175064274 /nfs/dbraw/zinc/06/42/74/175064274.db2.gz CRBHHFPNPSIBIK-OLZOCXBDSA-N 1 0 262.353 2.656 10 30 CFEERO CN(C(=O)c1ccc(C#CC[NH3+])c(F)c1)C1CCCCC1 ZINC000043582577 175069919 /nfs/dbraw/zinc/06/99/19/175069919.db2.gz XGAIEOFGSKMIPJ-UHFFFAOYSA-N 1 0 288.366 2.541 10 30 CFEERO CC(C)CC[N@H+](C)Cc1ccc(C#CCO)s1 ZINC000043678566 175088857 /nfs/dbraw/zinc/08/88/57/175088857.db2.gz UNZRTVGQCYQYBF-UHFFFAOYSA-N 1 0 251.395 2.570 10 30 CFEERO CC[C@@H]1CCC[N@@H+]1Cc1sccc1C#CCCO ZINC000043678679 175089449 /nfs/dbraw/zinc/08/94/49/175089449.db2.gz SASGEQQJNTUYQZ-CQSZACIVSA-N 1 0 263.406 2.856 10 30 CFEERO OCC#Cc1ccc(C[NH+]2CCCCCCC2)s1 ZINC000043679307 175089667 /nfs/dbraw/zinc/08/96/67/175089667.db2.gz PDQFKIFOSHXSJP-UHFFFAOYSA-N 1 0 263.406 2.858 10 30 CFEERO OCCC#Cc1ccc(C[NH+]2CCCCCC2)s1 ZINC000043678912 175089720 /nfs/dbraw/zinc/08/97/20/175089720.db2.gz XIJMQLCOUKQHSL-UHFFFAOYSA-N 1 0 263.406 2.858 10 30 CFEERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#CCCO)s1 ZINC000043678831 175089728 /nfs/dbraw/zinc/08/97/28/175089728.db2.gz YIGSPPKMKOCZHK-CYBMUJFWSA-N 1 0 263.406 2.856 10 30 CFEERO CC[C@H](C)[N@H+](CC)Cc1sccc1C#CCO ZINC000043679462 175090172 /nfs/dbraw/zinc/09/01/72/175090172.db2.gz ROXIAICCQJXQLN-LBPRGKRZSA-N 1 0 251.395 2.712 10 30 CFEERO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#CCO)s1 ZINC000043679423 175090556 /nfs/dbraw/zinc/09/05/56/175090556.db2.gz OMHPFXHXQINFQB-CYBMUJFWSA-N 1 0 263.406 2.856 10 30 CFEERO [NH3+]CC#Cc1ccsc1Cn1ccnc1-c1ccccc1 ZINC000043684421 175092572 /nfs/dbraw/zinc/09/25/72/175092572.db2.gz YMWPCXMYBCNHHY-UHFFFAOYSA-N 1 0 293.395 2.970 10 30 CFEERO [NH3+]CC#Cc1ccsc1COc1ccc(F)c(F)c1 ZINC000043685286 175093635 /nfs/dbraw/zinc/09/36/35/175093635.db2.gz DDZRTTKRYJTGSP-UHFFFAOYSA-N 1 0 279.311 2.916 10 30 CFEERO COc1ccc(OCc2sccc2C#CC[NH3+])cc1 ZINC000043684883 175094058 /nfs/dbraw/zinc/09/40/58/175094058.db2.gz AMCRXXVEUDEOJB-UHFFFAOYSA-N 1 0 273.357 2.646 10 30 CFEERO Cc1ccccc1OCc1sccc1C#CC[NH3+] ZINC000043684822 175094076 /nfs/dbraw/zinc/09/40/76/175094076.db2.gz BBVFUGNVAHRFPI-UHFFFAOYSA-N 1 0 257.358 2.946 10 30 CFEERO CC[N@H+](Cc1cc(C#CCO)cs1)C1CCCC1 ZINC000043698606 175096544 /nfs/dbraw/zinc/09/65/44/175096544.db2.gz MKGYNSYNPQUHDC-UHFFFAOYSA-N 1 0 263.406 2.856 10 30 CFEERO C[N@H+](Cc1cccs1)Cc1cc(C#CCO)cs1 ZINC000043698590 175096805 /nfs/dbraw/zinc/09/68/05/175096805.db2.gz HUZPZZJSIWXRCH-UHFFFAOYSA-N 1 0 277.414 2.785 10 30 CFEERO C=CCN(Cc1ccc(Cl)s1)C(=O)C[NH2+]CCC ZINC000044295004 175160999 /nfs/dbraw/zinc/16/09/99/175160999.db2.gz LLDYSWGYTPQOSA-UHFFFAOYSA-N 1 0 286.828 2.916 10 30 CFEERO Cc1ccc(C#N)c(N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000044419633 175173793 /nfs/dbraw/zinc/17/37/93/175173793.db2.gz SEUHPPDOAXZRKK-CQSZACIVSA-N 1 0 260.385 2.650 10 30 CFEERO C[N@H+](Cc1cc(C#CCCO)cs1)CC(C)(C)C ZINC000045086783 175303959 /nfs/dbraw/zinc/30/39/59/175303959.db2.gz COLNAMCTDNLTCA-UHFFFAOYSA-N 1 0 265.422 2.960 10 30 CFEERO C[N@H+](Cc1ccc(C#CCO)s1)CC(C)(C)C ZINC000045086805 175304093 /nfs/dbraw/zinc/30/40/93/175304093.db2.gz NCKGMQJEUNMPBN-UHFFFAOYSA-N 1 0 251.395 2.570 10 30 CFEERO C#CCOc1c(C[NH2+]CCC(C)C)cccc1OC ZINC000045945990 175387694 /nfs/dbraw/zinc/38/76/94/175387694.db2.gz LHCIGOSRKQKHPK-UHFFFAOYSA-N 1 0 261.365 2.843 10 30 CFEERO C#CCOc1ccc(C[NH2+][C@H](C)CC)cc1OCC ZINC000045945813 175388188 /nfs/dbraw/zinc/38/81/88/175388188.db2.gz PWPDCUOMZUQKOV-CYBMUJFWSA-N 1 0 261.365 2.985 10 30 CFEERO OCC#Cc1cc(C[NH+]2CCCCCC2)ccc1F ZINC000049616150 175494168 /nfs/dbraw/zinc/49/41/68/175494168.db2.gz KVIJJQKZZBKMMJ-UHFFFAOYSA-N 1 0 261.340 2.546 10 30 CFEERO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C#CCO)cc2)C1 ZINC000049616634 175494307 /nfs/dbraw/zinc/49/43/07/175494307.db2.gz FSVCVQXXPQUIAC-GJZGRUSLSA-N 1 0 257.377 2.508 10 30 CFEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000051998388 175530146 /nfs/dbraw/zinc/53/01/46/175530146.db2.gz WUWAAIKDCOLWEF-CABCVRRESA-N 1 0 261.365 2.645 10 30 CFEERO CC(C)[C@@H]([NH3+])CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000070463605 175944216 /nfs/dbraw/zinc/94/42/16/175944216.db2.gz HIWJYFMHEGEEED-LBPRGKRZSA-N 1 0 271.286 2.972 10 30 CFEERO C[C@@H]([NH3+])Cc1ccc(O[C@@H](C)C#N)c(C(F)(F)F)c1 ZINC000071399645 176152175 /nfs/dbraw/zinc/15/21/75/176152175.db2.gz ZIVLJNSHMNUSMY-BDAKNGLRSA-N 1 0 272.270 2.886 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC#Cc1ccccc1 ZINC000248840943 261202729 /nfs/dbraw/zinc/20/27/29/261202729.db2.gz LKIVZOXGJHLOGF-MSOLQXFVSA-N 1 0 268.404 2.597 10 30 CFEERO N#C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000328737457 263850814 /nfs/dbraw/zinc/85/08/14/263850814.db2.gz GZIQTUZZKSFJSQ-JSGCOSHPSA-N 1 0 261.369 2.510 10 30 CFEERO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000126586025 264214547 /nfs/dbraw/zinc/21/45/47/264214547.db2.gz LSZAAEFEZYQPAC-HNNXBMFYSA-N 1 0 272.392 2.846 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)N[C@@H]1C[C@@H]1C ZINC000129059857 264315033 /nfs/dbraw/zinc/31/50/33/264315033.db2.gz OWEPOGOCKIRWKB-RBJBARPLSA-N 1 0 295.789 2.908 10 30 CFEERO CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H](C)C(C)C ZINC000129860000 264339584 /nfs/dbraw/zinc/33/95/84/264339584.db2.gz UJIRDBDZBMWSRX-DZKIICNBSA-N 1 0 283.460 2.527 10 30 CFEERO N#Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nc2ccccc12 ZINC000262381189 274920840 /nfs/dbraw/zinc/92/08/40/274920840.db2.gz YTLVIVCQPWMUGE-RCBQFDQVSA-N 1 0 292.386 2.670 10 30 CFEERO C[NH2+][C@H]1CCCN(c2cccc(Br)c2C#N)C1 ZINC000169061137 277300393 /nfs/dbraw/zinc/30/03/93/277300393.db2.gz QBMNSPBZFPXQJG-JTQLQIEISA-N 1 0 294.196 2.509 10 30 CFEERO CC1(C)CN(c2cc(Cl)ccc2C#N)CC[C@H]1[NH3+] ZINC000261553373 278342366 /nfs/dbraw/zinc/34/23/66/278342366.db2.gz AFOIWDCCDFOHES-CYBMUJFWSA-N 1 0 263.772 2.775 10 30 CFEERO C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000261550153 278557409 /nfs/dbraw/zinc/55/74/09/278557409.db2.gz LYCLOYQFPQLXHP-MFKMUULPSA-N 1 0 263.772 2.775 10 30 CFEERO C[C@H]1CCN(c2cc(C#N)c3ccccc3n2)C[C@H]1C[NH3+] ZINC000253191576 279727628 /nfs/dbraw/zinc/72/76/28/279727628.db2.gz MHUJJTMYWSBVGV-GXTWGEPZSA-N 1 0 280.375 2.528 10 30 CFEERO Cc1nc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000336706486 280181455 /nfs/dbraw/zinc/18/14/55/280181455.db2.gz ITQFUDPCPMHLGJ-AWEZNQCLSA-N 1 0 294.402 2.616 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C#N)cs1 ZINC000248393622 281020587 /nfs/dbraw/zinc/02/05/87/281020587.db2.gz GWWMWOGLQPJNCY-KBPBESRZSA-N 1 0 275.421 2.678 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(C#N)cc1Cl ZINC000246502006 288317847 /nfs/dbraw/zinc/31/78/47/288317847.db2.gz SDTIUKITAICPIA-STQMWFEESA-N 1 0 290.798 2.670 10 30 CFEERO CC[NH2+][C@H](C)CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000387425328 324492109 /nfs/dbraw/zinc/49/21/09/324492109.db2.gz HCUHFDHIWFXRES-SECBINFHSA-N 1 0 271.286 2.987 10 30 CFEERO N#CCCCCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000171037640 329074185 /nfs/dbraw/zinc/07/41/85/329074185.db2.gz MCKDTLWIMQNPFO-CQSZACIVSA-N 1 0 287.411 2.835 10 30 CFEERO CC(C)c1nnc2n1C[C@H]([NH2+]CC(C)(C)CCC#N)CC2 ZINC000174328021 329157490 /nfs/dbraw/zinc/15/74/90/329157490.db2.gz BFWIMVCPDMXZQD-CYBMUJFWSA-N 1 0 289.427 2.636 10 30 CFEERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]CC(C)(C)CCC#N)CC2 ZINC000174362518 329157827 /nfs/dbraw/zinc/15/78/27/329157827.db2.gz KODXVYFVGVMGCE-ZDUSSCGKSA-N 1 0 289.427 2.636 10 30 CFEERO C=C(C)C[N@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000181296251 329230283 /nfs/dbraw/zinc/23/02/83/329230283.db2.gz QQLJEKALDPMJJN-HNNXBMFYSA-N 1 0 283.799 2.725 10 30 CFEERO C=CC[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186408488 329342053 /nfs/dbraw/zinc/34/20/53/329342053.db2.gz PCPYWFZZUJLQLU-MELADBBJSA-N 1 0 253.386 2.515 10 30 CFEERO C=CCC1(C(=O)N(C)C[C@H]2CCC[N@H+]2CC)CCC1 ZINC000188704960 329370340 /nfs/dbraw/zinc/37/03/40/329370340.db2.gz ZIZCHOKIWQFRCI-CQSZACIVSA-N 1 0 264.413 2.676 10 30 CFEERO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1CCCO ZINC000232528573 329387369 /nfs/dbraw/zinc/38/73/69/329387369.db2.gz QJHHDSOZPTVRFQ-CQSZACIVSA-N 1 0 252.402 2.943 10 30 CFEERO C=C(C)C[N@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190508563 329398845 /nfs/dbraw/zinc/39/88/45/329398845.db2.gz FJZVDOSHGZFIDO-HNNXBMFYSA-N 1 0 296.455 2.691 10 30 CFEERO C=CCOc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000262101907 329999821 /nfs/dbraw/zinc/99/98/21/329999821.db2.gz VQUGMAJOGLRWIB-FZMZJTMJSA-N 1 0 280.799 2.684 10 30 CFEERO [NH2+]=C(NCc1ccc2cc[nH]c2n1)NC1CCCCCC1 ZINC000262318802 330005786 /nfs/dbraw/zinc/00/57/86/330005786.db2.gz RIZWHKMKQIETTH-UHFFFAOYSA-N 1 0 285.395 2.690 10 30 CFEERO CC[NH+]=C(NCC1CCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262339458 330006867 /nfs/dbraw/zinc/00/68/67/330006867.db2.gz CIFQQKIHSKJGJN-ZNMIVQPWSA-N 1 0 293.455 2.545 10 30 CFEERO C[C@H]1CCCN(C(=[NH2+])NCc2ncoc2-c2ccccc2)C1 ZINC000262462023 330014834 /nfs/dbraw/zinc/01/48/34/330014834.db2.gz FYRNJUDSCNBMIT-ZDUSSCGKSA-N 1 0 298.390 2.888 10 30 CFEERO C=C(C)CNC(=[NH2+])NCc1nc(C(C)C)c(C)s1 ZINC000262503225 330018249 /nfs/dbraw/zinc/01/82/49/330018249.db2.gz APJKSWZRHRFRHP-UHFFFAOYSA-N 1 0 266.414 2.555 10 30 CFEERO C[C@@H]1CCCN(C(=[NH2+])N[C@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000262548339 330020799 /nfs/dbraw/zinc/02/07/99/330020799.db2.gz WLMRYWWZDQBFQP-GYSYKLTISA-N 1 0 293.361 2.867 10 30 CFEERO [NH2+]=C(NCC1(C(F)(F)F)CCC1)Nc1ccccn1 ZINC000262668353 330025566 /nfs/dbraw/zinc/02/55/66/330025566.db2.gz PTRHGKJLPFANJS-UHFFFAOYSA-N 1 0 272.274 2.541 10 30 CFEERO Cc1nc(-c2ccccc2)sc1CNC1=[NH+]CCN1C ZINC000262681673 330026654 /nfs/dbraw/zinc/02/66/54/330026654.db2.gz WLSKFYLRNSHZBZ-UHFFFAOYSA-N 1 0 286.404 2.510 10 30 CFEERO C[C@@H]1C[NH+]=C(NCC(C)(C)c2c(F)cccc2Cl)N1 ZINC000262687799 330027100 /nfs/dbraw/zinc/02/71/00/330027100.db2.gz ZCOXUDODKGKLAE-SECBINFHSA-N 1 0 283.778 2.694 10 30 CFEERO CCC1CCC(NC(NCc2cccn2C)=[NH+]C)CC1 ZINC000262756878 330029775 /nfs/dbraw/zinc/02/97/75/330029775.db2.gz BWWBJPIUDVXXEG-UHFFFAOYSA-N 1 0 276.428 2.659 10 30 CFEERO C[NH+]=C(N[C@@H](C)c1cc(C)ccc1OC)NC1CCC1 ZINC000262807847 330032928 /nfs/dbraw/zinc/03/29/28/330032928.db2.gz UDFCGZBDJKIFCW-LBPRGKRZSA-N 1 0 275.396 2.782 10 30 CFEERO COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@]1(C)C(C)C ZINC000263188245 330048211 /nfs/dbraw/zinc/04/82/11/330048211.db2.gz VFQPOIQKIWIMPX-GOEBONIOSA-N 1 0 275.396 2.994 10 30 CFEERO C[NH+]=C(NCc1ccco1)N[C@H]1CCC12CCCC2 ZINC000263232455 330049821 /nfs/dbraw/zinc/04/98/21/330049821.db2.gz COWMSYUBUIOAQS-ZDUSSCGKSA-N 1 0 261.369 2.667 10 30 CFEERO C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424076444 330220805 /nfs/dbraw/zinc/22/08/05/330220805.db2.gz LVCQVCTVHGLYSD-GXFFZTMASA-N 1 0 279.771 2.538 10 30 CFEERO C[C@H]([NH2+]CCOCCC#N)c1ccc(Cl)s1 ZINC000339086502 335141432 /nfs/dbraw/zinc/14/14/32/335141432.db2.gz MCCGHPGWSBMINL-VIFPVBQESA-N 1 0 258.774 2.982 10 30 CFEERO COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000250990595 334354287 /nfs/dbraw/zinc/35/42/87/334354287.db2.gz LUSQMQDNJKFSIP-AEGPPILISA-N 1 0 258.365 2.908 10 30 CFEERO CC[NH2+]CCOc1ccc(C(F)(F)F)cc1C#N ZINC000051868790 519926515 /nfs/dbraw/zinc/92/65/15/519926515.db2.gz QZBZTOBHWDPVSD-UHFFFAOYSA-N 1 0 258.243 2.565 10 30 CFEERO CC(C)(C)[NH2+]Cc1nccn1Cc1ccc(C#N)cc1 ZINC000051015310 518767766 /nfs/dbraw/zinc/76/77/66/518767766.db2.gz FXDROWFJLZVTSM-UHFFFAOYSA-N 1 0 268.364 2.691 10 30 CFEERO CC#CC[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000051665177 519344722 /nfs/dbraw/zinc/34/47/22/519344722.db2.gz BPLLTQZFAOXSAP-GFCCVEGCSA-N 1 0 252.155 2.732 10 30 CFEERO CCCC1CC[NH+](CC[C@H](C#N)NC(C)C)CC1 ZINC000062438762 519901595 /nfs/dbraw/zinc/90/15/95/519901595.db2.gz NHTAQZAROZKBDA-OAHLLOKOSA-N 1 0 251.418 2.779 10 30 CFEERO CCC[NH2+]CCCc1nnc(-c2cccc(C#N)c2)o1 ZINC000050617183 519914156 /nfs/dbraw/zinc/91/41/56/519914156.db2.gz ICQDLCKVQBUSCM-UHFFFAOYSA-N 1 0 270.336 2.540 10 30 CFEERO CCCC[C@H](C[NH3+])Nc1nc2c(cc1C#N)CCCC2 ZINC000160671760 521191786 /nfs/dbraw/zinc/19/17/86/521191786.db2.gz RLMVRCHGHOJMJG-CQSZACIVSA-N 1 0 272.396 2.761 10 30 CFEERO C[NH+](C)CCN[C@H](C#N)c1csc2ccccc12 ZINC000054464808 521793330 /nfs/dbraw/zinc/79/33/30/521793330.db2.gz QUVAKXRPBQSRRG-CYBMUJFWSA-N 1 0 259.378 2.617 10 30 CFEERO CN(CC(C)(C)C[NH3+])c1cccc(Br)c1C#N ZINC000169092869 522546723 /nfs/dbraw/zinc/54/67/23/522546723.db2.gz CLQJAWQEPOSCMR-UHFFFAOYSA-N 1 0 296.212 2.742 10 30 CFEERO C[C@@H]1CCC[C@@](CO)([NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054829955 524340898 /nfs/dbraw/zinc/34/08/98/524340898.db2.gz OKQAHGGCWBJHEZ-KBUPBQIOSA-N 1 0 250.386 2.600 10 30 CFEERO C[C@@H](C[NH+]1CCCC1)N[C@@H](CC#N)c1ccccc1 ZINC000055017972 524594542 /nfs/dbraw/zinc/59/45/42/524594542.db2.gz SHTGIPVEMRLSHK-HOCLYGCPSA-N 1 0 257.381 2.715 10 30 CFEERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1ccc(C#N)c(Cl)c1 ZINC000063196505 525007963 /nfs/dbraw/zinc/00/79/63/525007963.db2.gz CELPRPBSQQENDO-YGRLFVJLSA-N 1 0 263.772 2.918 10 30 CFEERO C[C@@H]([NH3+])[C@@H]1CCCCN1[C@@H](CC#N)c1ccccc1 ZINC000063196267 525008590 /nfs/dbraw/zinc/00/85/90/525008590.db2.gz GBNVKOHZIJTVBZ-KBMXLJTQSA-N 1 0 257.381 2.843 10 30 CFEERO C[C@@H]([NH3+])[C@H]1CCCCN1c1ccc(C#N)c(Cl)c1 ZINC000063196507 525019957 /nfs/dbraw/zinc/01/99/57/525019957.db2.gz CELPRPBSQQENDO-QMTHXVAHSA-N 1 0 263.772 2.918 10 30 CFEERO CSC[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC000069447428 525624425 /nfs/dbraw/zinc/62/44/25/525624425.db2.gz NCVHSECUGJOZNL-JTQLQIEISA-N 1 0 252.358 2.786 10 30 CFEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccccc1C#N ZINC000050564741 525638930 /nfs/dbraw/zinc/63/89/30/525638930.db2.gz OHINANPKCIFKQT-QWHCGFSZSA-N 1 0 271.364 2.617 10 30 CFEERO Cc1ccc(C#N)cc1-n1ccc2c1CCC[C@H]2[NH3+] ZINC000050436742 525995270 /nfs/dbraw/zinc/99/52/70/525995270.db2.gz HRVIYUHGCROALI-CQSZACIVSA-N 1 0 251.333 2.994 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000051889230 526548881 /nfs/dbraw/zinc/54/88/81/526548881.db2.gz WJSPXVNJFOJFPS-SECBINFHSA-N 1 0 270.254 2.565 10 30 CFEERO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CCCO)c(Cl)c1 ZINC000162898839 526610742 /nfs/dbraw/zinc/61/07/42/526610742.db2.gz ODEROPGQWSCAAP-CQSZACIVSA-N 1 0 278.783 2.949 10 30 CFEERO N#Cc1ccc(Cl)cc1N1CCC2(C1)CC[NH2+]CC2 ZINC000335296244 526633380 /nfs/dbraw/zinc/63/33/80/526633380.db2.gz KBSDGMRHFCCXRN-UHFFFAOYSA-N 1 0 275.783 2.792 10 30 CFEERO N#Cc1ccc(F)cc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000069402140 526639890 /nfs/dbraw/zinc/63/98/90/526639890.db2.gz RXALYEKIOMFJDE-KRWDZBQOSA-N 1 0 287.382 2.661 10 30 CFEERO N#Cc1ccccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201206 526740428 /nfs/dbraw/zinc/74/04/28/526740428.db2.gz QIIVHFMAHAVTJC-OAHLLOKOSA-N 1 0 255.365 2.527 10 30 CFEERO C#CCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000113321179 526744889 /nfs/dbraw/zinc/74/48/89/526744889.db2.gz CCBWIQWVOYDOLY-WMLDXEAASA-N 1 0 273.376 2.746 10 30 CFEERO O=CC1(C[N@H+](Cc2cccs2)C2CC2)CCOCC1 ZINC000052180353 527139594 /nfs/dbraw/zinc/13/95/94/527139594.db2.gz YMUKYVKDKAAQHY-UHFFFAOYSA-N 1 0 279.405 2.708 10 30 CFEERO [NH3+]CC#Cc1ccsc1COCc1ccccc1F ZINC000069285280 527154674 /nfs/dbraw/zinc/15/46/74/527154674.db2.gz LHQBNYSGSQBYBC-UHFFFAOYSA-N 1 0 275.348 2.914 10 30 CFEERO C[N@H+](Cc1cc(C#CCO)cs1)C1CCCCC1 ZINC000043698466 570261633 /nfs/dbraw/zinc/26/16/33/570261633.db2.gz SVQPCIUXGANUNH-UHFFFAOYSA-N 1 0 263.406 2.856 10 30 CFEERO C[C@@H]1CCC[N@H+](Cc2cc(C#CCO)cs2)[C@@H]1C ZINC000050566703 618135824 /nfs/dbraw/zinc/13/58/24/618135824.db2.gz JCLLSFMRACNGFA-CHWSQXEVSA-N 1 0 263.406 2.712 10 30 CFEERO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000061891990 619160095 /nfs/dbraw/zinc/16/00/95/619160095.db2.gz WLXIAOVHEKVFNB-TZMCWYRMSA-N 1 0 293.411 2.668 10 30 CFEERO N#Cc1ccc(N2CCC[C@H](C[NH3+])C2)cc1C(F)(F)F ZINC000044531605 622918437 /nfs/dbraw/zinc/91/84/37/622918437.db2.gz XOVRYYTYQAJLKV-SNVBAGLBSA-N 1 0 283.297 2.752 10 30 CFEERO CCN1CCC[C@@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000171563242 623229670 /nfs/dbraw/zinc/22/96/70/623229670.db2.gz BPFVIYINGLAZJF-GOEBONIOSA-N 1 0 287.407 2.551 10 30 CFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000231950231 623377045 /nfs/dbraw/zinc/37/70/45/623377045.db2.gz WMFZGMZAYFLURS-DTWKUNHWSA-N 1 0 252.305 2.911 10 30 CFEERO C#CCCC[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000174612388 623432078 /nfs/dbraw/zinc/43/20/78/623432078.db2.gz AVWXJGOAGDMTNQ-UHFFFAOYSA-N 1 0 256.353 2.515 10 30 CFEERO CCCCCCCCCN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000152839883 623462994 /nfs/dbraw/zinc/46/29/94/623462994.db2.gz HPHNVJJVHNOPSG-AWEZNQCLSA-N 1 0 254.418 2.805 10 30 CFEERO CCCCCCCCCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185146759 625691163 /nfs/dbraw/zinc/69/11/63/625691163.db2.gz FBYDCYDRUCIIQZ-CABCVRRESA-N 1 0 257.418 2.555 10 30 CFEERO C#CCC[NH2+]Cc1cc(Br)ccc1OC ZINC000069768344 625218378 /nfs/dbraw/zinc/21/83/78/625218378.db2.gz YOOJGSLOLLERBU-UHFFFAOYSA-N 1 0 268.154 2.571 10 30 CFEERO C[C@H]([NH3+])[C@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000070174901 625278816 /nfs/dbraw/zinc/27/88/16/625278816.db2.gz CDIRPLOLIDLPOC-STQMWFEESA-N 1 0 280.375 2.670 10 30 CFEERO C[C@H](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)NC(=O)OC(C)(C)C ZINC000192980123 650613120 /nfs/dbraw/zinc/61/31/20/650613120.db2.gz VUONMDIHXHSKAW-HZSPNIEDSA-N 1 0 295.427 2.962 10 30 CFEERO C#CCCOc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000245713867 650830725 /nfs/dbraw/zinc/83/07/25/650830725.db2.gz GMBAUDFFNSGDEZ-AEFFLSMTSA-N 1 0 298.430 2.757 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCC[C@H]1C[NH3+] ZINC000094337551 650956381 /nfs/dbraw/zinc/95/63/81/650956381.db2.gz SWQVAUMMQMIVKX-WPRPVWTQSA-N 1 0 284.285 2.511 10 30 CFEERO CC1(CNc2nc3ccccc3cc2C#N)CC[NH2+]CC1 ZINC000129433496 645192888 /nfs/dbraw/zinc/19/28/88/645192888.db2.gz AHLPMCNCNVHXMC-UHFFFAOYSA-N 1 0 280.375 2.908 10 30 CFEERO C=CCCSCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000595061262 349571177 /nfs/dbraw/zinc/57/11/77/349571177.db2.gz ZMRAIRCWKOOUJY-YNEHKIRRSA-N 1 0 255.427 2.699 10 30 CFEERO CO[C@H](C[NH2+][C@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000595482298 349639364 /nfs/dbraw/zinc/63/93/64/349639364.db2.gz MWJFYEUHOWSXMZ-SOUVJXGZSA-N 1 0 250.386 2.864 10 30 CFEERO COc1cccc(OCC[NH2+][C@H]2CCCC[C@@H]2C#N)c1 ZINC000595694714 349706102 /nfs/dbraw/zinc/70/61/02/349706102.db2.gz PBMBLTMVQAFXMZ-CJNGLKHVSA-N 1 0 274.364 2.746 10 30 CFEERO CC(C)[C@H]([NH3+])CCNc1ccc(Cl)cc1C#N ZINC000596030224 349778629 /nfs/dbraw/zinc/77/86/29/349778629.db2.gz PERZUVLQZYNWDX-GFCCVEGCSA-N 1 0 251.761 2.997 10 30 CFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000054826205 346577344 /nfs/dbraw/zinc/57/73/44/346577344.db2.gz GOHFARVKQYHXJX-UKRRQHHQSA-N 1 0 273.336 2.809 10 30 CFEERO CN(CCC[NH2+][C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000054823352 346577374 /nfs/dbraw/zinc/57/73/74/346577374.db2.gz MGAAHXSJMPZEMH-ZBFHGGJFSA-N 1 0 257.381 2.795 10 30 CFEERO N#Cc1cc(N2CCC[C@@H](CC[NH3+])C2)nc2ccccc12 ZINC000070171327 136708435 /nfs/dbraw/zinc/70/84/35/136708435.db2.gz PRYXMACXKINABV-ZDUSSCGKSA-N 1 0 280.375 2.672 10 30 CFEERO Cc1cccc[n+]1[C@@H](C#N)C(=S)Nc1ccccc1 ZINC000096474712 347702125 /nfs/dbraw/zinc/70/21/25/347702125.db2.gz XBZRPWNFSCZKCG-AWEZNQCLSA-O 1 0 268.365 2.787 10 30 CFEERO N#Cc1cc(NCC[NH2+]C2CC2)ccc1C(F)(F)F ZINC000164077069 348036358 /nfs/dbraw/zinc/03/63/58/348036358.db2.gz FHYBCYOHMDVYKC-UHFFFAOYSA-N 1 0 269.270 2.741 10 30 CFEERO C#CC[C@H]([NH2+]C)c1ccc(Br)cc1F ZINC000166113553 348041624 /nfs/dbraw/zinc/04/16/24/348041624.db2.gz CEXURPZPANQOFX-NSHDSACASA-N 1 0 256.118 2.872 10 30 CFEERO CC(C)[N@@H+]1CCC[C@](C#N)(NCc2ccccc2)CC1 ZINC000086849211 179357938 /nfs/dbraw/zinc/35/79/38/179357938.db2.gz PICKQNQRBSUVKG-KRWDZBQOSA-N 1 0 271.408 2.933 10 30 CFEERO Cc1cc(C#N)ccc1CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000229150793 348199308 /nfs/dbraw/zinc/19/93/08/348199308.db2.gz SZXLMMCHBRMRRD-RHSMWYFYSA-N 1 0 269.392 2.535 10 30 CFEERO C=CC[C@@H]([NH3+])c1sccc1I ZINC000238649294 348248070 /nfs/dbraw/zinc/24/80/70/348248070.db2.gz AWJSRLZUQSGKDL-SSDOTTSWSA-N 1 0 279.146 2.929 10 30 CFEERO C=CCCC[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000246012222 348260320 /nfs/dbraw/zinc/26/03/20/348260320.db2.gz YPOBUDUCWLUXMV-HUUCEWRRSA-N 1 0 281.444 2.857 10 30 CFEERO N#Cc1cc2c(nc1Oc1ccc(C[NH3+])cc1)CCC2 ZINC000236184412 348231838 /nfs/dbraw/zinc/23/18/38/348231838.db2.gz DMQVWURCXKANGM-UHFFFAOYSA-N 1 0 265.316 2.693 10 30 CFEERO C=C(Cl)CNc1c(N)c[nH+]cc1Br ZINC000236371749 348233013 /nfs/dbraw/zinc/23/30/13/348233013.db2.gz FOOBAADNQDWTSP-UHFFFAOYSA-N 1 0 262.538 2.591 10 30 CFEERO N#Cc1ccc(NC(=[NH2+])NCc2ccccc2)cc1 ZINC000306180819 348384377 /nfs/dbraw/zinc/38/43/77/348384377.db2.gz MFIWZSWGJILTLN-UHFFFAOYSA-N 1 0 250.305 2.695 10 30 CFEERO C[C@H](C[C@H](C)[NH3+])Nc1cccc(Br)c1C#N ZINC000320810090 348437634 /nfs/dbraw/zinc/43/76/34/348437634.db2.gz ICVHRQGXJLMPKR-DTWKUNHWSA-N 1 0 282.185 2.858 10 30 CFEERO Cc1cc(C)c(C#N)c(Oc2ccc(CC[NH3+])cc2)n1 ZINC000087881862 179509210 /nfs/dbraw/zinc/50/92/10/179509210.db2.gz LZOFPOFJUMTKKK-UHFFFAOYSA-N 1 0 267.332 2.864 10 30 CFEERO N#Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]([NH3+])C3)cc1 ZINC000584625993 348694005 /nfs/dbraw/zinc/69/40/05/348694005.db2.gz AHANBGIKULJGRA-INIZCTEOSA-N 1 0 291.354 2.627 10 30 CFEERO N#Cc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000105886242 186083784 /nfs/dbraw/zinc/08/37/84/186083784.db2.gz UQIYPIIJYOYKPV-UHFFFAOYSA-N 1 0 280.375 2.667 10 30 CFEERO Cc1cnn([C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)c1 ZINC000105900242 186087892 /nfs/dbraw/zinc/08/78/92/186087892.db2.gz LPYNMDJPVPNQQU-KRWDZBQOSA-N 1 0 280.375 2.900 10 30 CFEERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000600963231 350638958 /nfs/dbraw/zinc/63/89/58/350638958.db2.gz SUARYJAIPZNWOU-WCBMZHEXSA-N 1 0 269.270 2.503 10 30 CFEERO N#Cc1ccc(Cl)cc1N1CCCCC[C@@H]([NH3+])C1 ZINC000600959243 350637146 /nfs/dbraw/zinc/63/71/46/350637146.db2.gz UUGWIARNHSPXMT-CYBMUJFWSA-N 1 0 263.772 2.919 10 30 CFEERO CC[C@H]([NH3+])CNc1ccc(C(F)(F)F)cc1C#N ZINC000111304691 186394126 /nfs/dbraw/zinc/39/41/26/186394126.db2.gz ZEKGUUCAHUOJKU-JTQLQIEISA-N 1 0 257.259 2.726 10 30 CFEERO CC[C@@H]([NH3+])CNc1ccc(C(F)(F)F)cc1C#N ZINC000111304692 186393703 /nfs/dbraw/zinc/39/37/03/186393703.db2.gz ZEKGUUCAHUOJKU-SNVBAGLBSA-N 1 0 257.259 2.726 10 30 CFEERO N#Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000616631895 352392774 /nfs/dbraw/zinc/39/27/74/352392774.db2.gz HXHNDDFEAVEKEL-SFHVURJKSA-N 1 0 277.371 2.705 10 30 CFEERO N#Cc1cnc2ccccc2c1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262137551 283243287 /nfs/dbraw/zinc/24/32/87/283243287.db2.gz MCEIEZZMRGFKIS-APHBMKBZSA-N 1 0 292.386 2.670 10 30 CFEERO C=CCCC[C@@H](C[NH2+]CC)NC(=O)OC(C)(C)C ZINC000675051283 540633206 /nfs/dbraw/zinc/63/32/06/540633206.db2.gz OWEOXUWELSUJQR-LBPRGKRZSA-N 1 0 256.390 2.846 10 30 CFEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000178283867 189103065 /nfs/dbraw/zinc/10/30/65/189103065.db2.gz MUKRTZSJPUSIMA-KRWDZBQOSA-N 1 0 280.375 2.728 10 30 CFEERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000180130497 189238919 /nfs/dbraw/zinc/23/89/19/189238919.db2.gz ANMXEPYOYJONME-CYBMUJFWSA-N 1 0 286.404 2.789 10 30 CFEERO CCC[N@@H+]1CC[C@@H](CNc2cc(C)nc(C)c2C#N)C1 ZINC000301754062 201178277 /nfs/dbraw/zinc/17/82/77/201178277.db2.gz CFRAAANHDHLOSM-AWEZNQCLSA-N 1 0 272.396 2.714 10 30 CFEERO Cc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(C#N)c(C)n1 ZINC000301807137 201209952 /nfs/dbraw/zinc/20/99/52/201209952.db2.gz YDOWULLCLJTRKF-UONOGXRCSA-N 1 0 272.396 2.855 10 30 CFEERO C=C(Cl)CC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685959357 541473551 /nfs/dbraw/zinc/47/35/51/541473551.db2.gz SHYHIQUPKOGAQD-SMDDNHRTSA-N 1 0 267.756 2.631 10 30 CFEERO N#C[C@H](c1ccccc1)[C@@H](O)C[n+]1ccc2ccccc2c1 ZINC000012941772 372002317 /nfs/dbraw/zinc/00/23/17/372002317.db2.gz VTTKPNADEGBKRR-MOPGFXCFSA-N 1 0 289.358 2.796 10 30 CFEERO C=CC[NH2+]CC[C@H]1CCC(=O)N1[C@H](C)c1cccs1 ZINC000014974357 372076481 /nfs/dbraw/zinc/07/64/81/372076481.db2.gz WVCFSNJWSIGKSH-CHWSQXEVSA-N 1 0 278.421 2.966 10 30 CFEERO N#CCC[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 ZINC000027028364 372333108 /nfs/dbraw/zinc/33/31/08/372333108.db2.gz MRTOPILAOAYQAF-UHFFFAOYSA-N 1 0 272.759 2.956 10 30 CFEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000042269353 372898166 /nfs/dbraw/zinc/89/81/66/372898166.db2.gz QDVGJVCADGIAKD-IUCAKERBSA-N 1 0 272.801 2.743 10 30 CFEERO N#Cc1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000063201467 373797146 /nfs/dbraw/zinc/79/71/46/373797146.db2.gz KUMKZMFHDIKPAN-HNNXBMFYSA-N 1 0 273.355 2.666 10 30 CFEERO N#Cc1ccc(N2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000070171244 374138027 /nfs/dbraw/zinc/13/80/27/374138027.db2.gz CJKIEBTYKUWQKI-LLVKDONJSA-N 1 0 263.772 2.777 10 30 CFEERO C=CCC[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000089732598 374942293 /nfs/dbraw/zinc/94/22/93/374942293.db2.gz ILLLZTZJBSRWJM-CVEARBPZSA-N 1 0 286.423 2.780 10 30 CFEERO C[C@H](C#N)Oc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000092616065 375131239 /nfs/dbraw/zinc/13/12/39/375131239.db2.gz RFFNVQVXDZRZOF-NVXWUHKLSA-N 1 0 299.418 2.648 10 30 CFEERO CCCC(=O)N[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000092708753 375142413 /nfs/dbraw/zinc/14/24/13/375142413.db2.gz QAYJRBDOCDVVQH-AWEZNQCLSA-N 1 0 279.428 2.697 10 30 CFEERO CCc1ccc(OCCCC[NH2+]CCS)c(OC)c1 ZINC000096328040 375485705 /nfs/dbraw/zinc/48/57/05/375485705.db2.gz GBYDWLVZHDJJAU-UHFFFAOYSA-N 1 0 283.437 2.936 10 30 CFEERO N#Cc1cccc(OCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114202166 376052779 /nfs/dbraw/zinc/05/27/79/376052779.db2.gz KTIGYFKGOLRLPR-KRWDZBQOSA-N 1 0 296.374 2.887 10 30 CFEERO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000122570642 376932535 /nfs/dbraw/zinc/93/25/35/376932535.db2.gz DNJMVMOTBNVXIB-ZDUSSCGKSA-N 1 0 268.401 2.799 10 30 CFEERO C=CCOc1cccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000126691872 377242806 /nfs/dbraw/zinc/24/28/06/377242806.db2.gz VAIISAWEKRAYNF-DOTOQJQBSA-N 1 0 286.419 2.920 10 30 CFEERO CC1(CNc2cc(C#N)c3ccccc3n2)CC[NH2+]CC1 ZINC000129488381 377434659 /nfs/dbraw/zinc/43/46/59/377434659.db2.gz KPHKSCIBCIVIEQ-UHFFFAOYSA-N 1 0 280.375 2.908 10 30 CFEERO C[C@H]([NH3+])[C@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000132434623 377839345 /nfs/dbraw/zinc/83/93/45/377839345.db2.gz FTSLLTQZDIEKJN-UWVGGRQHSA-N 1 0 283.297 2.751 10 30 CFEERO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152260166 378405065 /nfs/dbraw/zinc/40/50/65/378405065.db2.gz ZQWRZNMBIBPZGH-OAHLLOKOSA-N 1 0 273.380 2.865 10 30 CFEERO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152495458 378421965 /nfs/dbraw/zinc/42/19/65/378421965.db2.gz HBWDEYHQMVLGFK-QGZVFWFLSA-N 1 0 279.343 2.607 10 30 CFEERO N#Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C(F)(F)F ZINC000156377071 378640481 /nfs/dbraw/zinc/64/04/81/378640481.db2.gz GVMPFXUFNVRWOU-NEPJUHHUSA-N 1 0 295.308 2.908 10 30 CFEERO CC#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000158113221 378664421 /nfs/dbraw/zinc/66/44/21/378664421.db2.gz ZMGXYALXQLKPNI-ZNMIVQPWSA-N 1 0 292.423 2.635 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C#N)ccc1F ZINC000175033811 379982794 /nfs/dbraw/zinc/98/27/94/379982794.db2.gz QOYYTCGLUDTBRV-HZPDHXFCSA-N 1 0 287.382 2.756 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000181108109 380741324 /nfs/dbraw/zinc/74/13/24/380741324.db2.gz VAISVUPMLRYONG-ARFHVFGLSA-N 1 0 293.455 2.999 10 30 CFEERO O=C1C[N+]2(Cc3ccc(Cl)cc3)CCC1CC2 ZINC000003171371 284851644 /nfs/dbraw/zinc/85/16/44/284851644.db2.gz ODFBYDOOKJHFMU-UHFFFAOYSA-N 1 0 250.749 2.650 10 30 CFEERO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H]1N(C)C ZINC000300119515 382057211 /nfs/dbraw/zinc/05/72/11/382057211.db2.gz GIQZUEMRMJINNN-UONOGXRCSA-N 1 0 251.418 2.588 10 30 CFEERO N#Cc1cc2c(nc1N[C@H]1CCCC[C@@H]1[NH3+])CCCC2 ZINC000043409831 184559661 /nfs/dbraw/zinc/55/96/61/184559661.db2.gz GFKBTJDKBQYWTG-ZFWWWQNUSA-N 1 0 270.380 2.514 10 30 CFEERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(C#N)cc1Br ZINC000389721339 382615939 /nfs/dbraw/zinc/61/59/39/382615939.db2.gz GEUOCHUHJLBBAK-ZANVPECISA-N 1 0 294.196 2.731 10 30 CFEERO CCc1nnc(CN(CC)[C@H](C)c2ccc(C#N)cc2)n1C ZINC000195084689 382761394 /nfs/dbraw/zinc/76/13/94/382761394.db2.gz VLEGVBMFCXJQHM-CYBMUJFWSA-N 1 0 297.406 2.832 10 30 CFEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1c(C#N)cnc2ccccc21 ZINC000229599351 382852739 /nfs/dbraw/zinc/85/27/39/382852739.db2.gz BXJJDTQSZDPCIN-FZMZJTMJSA-N 1 0 266.348 2.659 10 30 CFEERO O[C@@]12CCCC[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000245964787 383054350 /nfs/dbraw/zinc/05/43/50/383054350.db2.gz TZRLBVVFBXFMQN-FUHWJXTLSA-N 1 0 287.378 2.804 10 30 CFEERO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246072803 383060917 /nfs/dbraw/zinc/06/09/17/383060917.db2.gz DORNJJWDSQKSMT-UKRRQHHQSA-N 1 0 264.413 2.600 10 30 CFEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC#Cc1ccc(Cl)cc1 ZINC000246380108 383074427 /nfs/dbraw/zinc/07/44/27/383074427.db2.gz OTXMMJKTZVVUQQ-YOEHRIQHSA-N 1 0 288.822 2.860 10 30 CFEERO C=CCOc1cccc(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000245689745 383021801 /nfs/dbraw/zinc/02/18/01/383021801.db2.gz BFYAZAKNNWFDAA-INIZCTEOSA-N 1 0 272.392 2.531 10 30 CFEERO C[C@@H](c1ccc(C#N)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248356515 383227042 /nfs/dbraw/zinc/22/70/42/383227042.db2.gz OKPGMVBJMANTSJ-YOEHRIQHSA-N 1 0 269.392 2.789 10 30 CFEERO C[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1[NH+](C)C ZINC000251634854 383392009 /nfs/dbraw/zinc/39/20/09/383392009.db2.gz FPOJHURMAJIHAE-QMTHXVAHSA-N 1 0 263.772 2.598 10 30 CFEERO N#Cc1ccc(Cl)cc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252662106 383424533 /nfs/dbraw/zinc/42/45/33/383424533.db2.gz UPSQJGSFWHUGSN-AWEZNQCLSA-N 1 0 275.783 2.886 10 30 CFEERO Cc1nc(N[C@H](C[NH3+])C2CCCC2)c(Cl)cc1C#N ZINC000261586356 383521124 /nfs/dbraw/zinc/52/11/24/383521124.db2.gz IVTXNQJAESRFIZ-CYBMUJFWSA-N 1 0 278.787 2.845 10 30 CFEERO Cc1nc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(Cl)cc1C#N ZINC000261670001 383540469 /nfs/dbraw/zinc/54/04/69/383540469.db2.gz ZZAPRTHWPNJAER-GXSJLCMTSA-N 1 0 278.787 2.715 10 30 CFEERO C[C@@H]([NH2+]CC(=O)NCC#N)c1ccc(-c2ccccc2)cc1 ZINC000181426261 393495301 /nfs/dbraw/zinc/49/53/01/393495301.db2.gz YSGFDVXCYAYBIX-CQSZACIVSA-N 1 0 293.370 2.644 10 30 CFEERO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(Cl)s1 ZINC000183007944 393515793 /nfs/dbraw/zinc/51/57/93/393515793.db2.gz SLQKODVAJCGYHJ-SNVBAGLBSA-N 1 0 299.827 2.814 10 30 CFEERO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccs1 ZINC000192870977 393635324 /nfs/dbraw/zinc/63/53/24/393635324.db2.gz ZGFFAJLYDWOLIK-SECBINFHSA-N 1 0 291.401 2.971 10 30 CFEERO C[C@H]1CCN(c2cc(Cl)ccc2C#N)C[C@H]1C[NH3+] ZINC000253194871 393940219 /nfs/dbraw/zinc/94/02/19/393940219.db2.gz QVSCSZWHZBIDKS-CMPLNLGQSA-N 1 0 263.772 2.633 10 30 CFEERO CCO[C@@H]1C[C@H]([N@H+](C)CCCC#N)C12CCCC2 ZINC000121163756 393950081 /nfs/dbraw/zinc/95/00/81/393950081.db2.gz SZJGZEOXFYKKQN-UONOGXRCSA-N 1 0 250.386 2.960 10 30 CFEERO C[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000163972692 394369186 /nfs/dbraw/zinc/36/91/86/394369186.db2.gz GECVXGOXLXJOFL-JQWIXIFHSA-N 1 0 297.324 2.998 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](N(C)c1ccc(C#N)cc1)C(F)(F)F ZINC000061949999 522647254 /nfs/dbraw/zinc/64/72/54/522647254.db2.gz VDHDSPIYUGXATG-VXGBXAGGSA-N 1 0 271.286 2.663 10 30 CFEERO CN(C)C(=[NH+]c1ccccc1C(F)(F)F)N(C)C ZINC000584656902 397586256 /nfs/dbraw/zinc/58/62/56/397586256.db2.gz GJPVUKXUXUDZMX-UHFFFAOYSA-N 1 0 259.275 2.816 10 30 CFEERO C=CCOc1ccc(Cl)c2c1CC[N@H+](C)CC2 ZINC000005966794 170163801 /nfs/dbraw/zinc/16/38/01/170163801.db2.gz CJFOJUCLYBZSAN-UHFFFAOYSA-N 1 0 251.757 2.935 10 30 CFEERO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1ccccc1C#N ZINC000009998012 170394517 /nfs/dbraw/zinc/39/45/17/170394517.db2.gz ZQAKXVNCKHJCKG-STQMWFEESA-N 1 0 271.364 2.760 10 30 CFEERO ON=C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000020247086 171100477 /nfs/dbraw/zinc/10/04/77/171100477.db2.gz RXDQITRZJTYXCO-UHFFFAOYSA-N 1 0 255.321 2.661 10 30 CFEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(CC)n1C ZINC000661118371 413770588 /nfs/dbraw/zinc/77/05/88/413770588.db2.gz ZQDCAXJSVHIZAC-CHWSQXEVSA-N 1 0 262.401 2.602 10 30 CFEERO N#Cc1cc(NC(=O)CCCCC[NH3+])ccc1Cl ZINC000037018686 172881740 /nfs/dbraw/zinc/88/17/40/172881740.db2.gz RLVYYWPWSZZOOF-UHFFFAOYSA-N 1 0 265.744 2.669 10 30 CFEERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC000037166826 173001783 /nfs/dbraw/zinc/00/17/83/173001783.db2.gz GRGYFVPDZCBAOW-MRXNPFEDSA-N 1 0 259.397 2.624 10 30 CFEERO C#CC[NH+]1CCC(Nc2cccc(SC)c2)CC1 ZINC000037188365 173018448 /nfs/dbraw/zinc/01/84/48/173018448.db2.gz MKONIIGIYWGLJF-UHFFFAOYSA-N 1 0 260.406 2.918 10 30 CFEERO C#CCN1CCC([NH2+][C@@H](C)CCCC(C)C)CC1 ZINC000037231805 173049813 /nfs/dbraw/zinc/04/98/13/173049813.db2.gz JDAITFFSCJEPFK-HNNXBMFYSA-N 1 0 250.430 2.888 10 30 CFEERO C#CC[NH+]1CCC(Nc2cc(Cl)ccc2F)CC1 ZINC000037256775 173068029 /nfs/dbraw/zinc/06/80/29/173068029.db2.gz OUXFAOYUIRQHIK-UHFFFAOYSA-N 1 0 266.747 2.989 10 30 CFEERO CCOc1cc(C[C@@H](C)[NH3+])ccc1OCCCC#N ZINC000037726156 173644603 /nfs/dbraw/zinc/64/46/03/173644603.db2.gz KTOVAGYYVWHAKL-GFCCVEGCSA-N 1 0 262.353 2.658 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000659331143 414501109 /nfs/dbraw/zinc/50/11/09/414501109.db2.gz DYATYIFFONNPPZ-KBXIAJHMSA-N 1 0 264.413 2.613 10 30 CFEERO C=CCC1(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000662889230 414628361 /nfs/dbraw/zinc/62/83/61/414628361.db2.gz TXRKQTWQAMKDGJ-OLZOCXBDSA-N 1 0 250.386 2.509 10 30 CFEERO Cc1cc(C)c(C#N)c(NC[C@H](C)[NH+]2CCCCC2)n1 ZINC000038029257 174019237 /nfs/dbraw/zinc/01/92/37/174019237.db2.gz AOWGTPPSIUYTJE-AWEZNQCLSA-N 1 0 272.396 2.856 10 30 CFEERO [NH3+]CC#Cc1c(OCC(F)F)ccc2ccccc21 ZINC000038077871 174088136 /nfs/dbraw/zinc/08/81/36/174088136.db2.gz CZJZNLJMCGYGRD-UHFFFAOYSA-N 1 0 261.271 2.794 10 30 CFEERO C=C(Br)CNC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040669344 174367984 /nfs/dbraw/zinc/36/79/84/174367984.db2.gz QUTLVCVYHACOPU-DGCLKSJQSA-N 1 0 289.261 2.995 10 30 CFEERO CC(C)CN(C(=O)c1ccc(C#CC[NH3+])cc1F)C(C)C ZINC000042598117 174815254 /nfs/dbraw/zinc/81/52/54/174815254.db2.gz HUBPVQASASICKL-UHFFFAOYSA-N 1 0 290.382 2.643 10 30 CFEERO C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(CCC#N)C1CC1 ZINC000042972983 174936738 /nfs/dbraw/zinc/93/67/38/174936738.db2.gz SOONWDODVOWECE-NHYWBVRUSA-N 1 0 261.344 2.592 10 30 CFEERO C[C@@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)c1cccnc1 ZINC000043351246 175019677 /nfs/dbraw/zinc/01/96/77/175019677.db2.gz GQRNKORVIBXEBQ-BMIGLBTASA-N 1 0 271.295 2.560 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)c1ccncc1 ZINC000043355398 175022919 /nfs/dbraw/zinc/02/29/19/175022919.db2.gz HOVBAHPGIAJTFA-HZPDHXFCSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)c1ccncc1 ZINC000043355758 175023659 /nfs/dbraw/zinc/02/36/59/175023659.db2.gz KPUAZOFMFVXXQC-CVEARBPZSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)C(F)(F)F ZINC000043383808 175031307 /nfs/dbraw/zinc/03/13/07/175031307.db2.gz ULBWTMRKBDCTGR-GHMZBOCLSA-N 1 0 258.243 2.605 10 30 CFEERO Cc1ccc(C#N)c(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000043395577 175035612 /nfs/dbraw/zinc/03/56/12/175035612.db2.gz GEKXHLDXCWNNQS-LQDVMPOASA-N 1 0 270.380 2.546 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1OCCOc1ccccc1 ZINC000043458506 175050378 /nfs/dbraw/zinc/05/03/78/175050378.db2.gz IQESOGVYZNPYPX-UHFFFAOYSA-N 1 0 285.318 2.594 10 30 CFEERO Cc1ccc(OCCOc2ccccc2)c(C#CC[NH3+])c1 ZINC000043458505 175050743 /nfs/dbraw/zinc/05/07/43/175050743.db2.gz AWPQYYXJGBOQMM-UHFFFAOYSA-N 1 0 281.355 2.763 10 30 CFEERO C=CCSc1ccccc1NC(=O)CC[NH2+]C ZINC000043604570 175078146 /nfs/dbraw/zinc/07/81/46/175078146.db2.gz PGOWOIOVOLYSGB-UHFFFAOYSA-N 1 0 250.367 2.513 10 30 CFEERO CCc1ccc(C(=O)NCc2cccc(C#CC[NH3+])c2)s1 ZINC000043640343 175084553 /nfs/dbraw/zinc/08/45/53/175084553.db2.gz MIONYHZFADIZNZ-UHFFFAOYSA-N 1 0 298.411 2.551 10 30 CFEERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C#CCO)s2)C1 ZINC000043679188 175089917 /nfs/dbraw/zinc/08/99/17/175089917.db2.gz FGXZXDIEUHIQDB-CHWSQXEVSA-N 1 0 263.406 2.570 10 30 CFEERO CCC1CC[NH+](Cc2ccc(C#CCO)s2)CC1 ZINC000043678592 175089987 /nfs/dbraw/zinc/08/99/87/175089987.db2.gz MQYLLEUULAQDGF-UHFFFAOYSA-N 1 0 263.406 2.714 10 30 CFEERO CCC[N@H+](CC)Cc1ccc(C#CCCO)s1 ZINC000043679384 175090476 /nfs/dbraw/zinc/09/04/76/175090476.db2.gz ZSZJVCDLZCCBHS-UHFFFAOYSA-N 1 0 251.395 2.714 10 30 CFEERO CC[C@H](C)[N@H+](CCOC)Cc1sccc1C#CCCO ZINC000043681987 175091111 /nfs/dbraw/zinc/09/11/11/175091111.db2.gz OLZDBHSKQVQBMB-AWEZNQCLSA-N 1 0 295.448 2.729 10 30 CFEERO [NH3+]CC#Cc1ccsc1COc1cccc([N+](=O)[O-])c1 ZINC000043685371 175094215 /nfs/dbraw/zinc/09/42/15/175094215.db2.gz XQXSLNXMYYJPAU-UHFFFAOYSA-N 1 0 288.328 2.546 10 30 CFEERO Cc1ccc(CN(C)Cc2cc(C#CC[NH3+])cs2)o1 ZINC000043688909 175095773 /nfs/dbraw/zinc/09/57/73/175095773.db2.gz ULTGQTUOXPDGRJ-UHFFFAOYSA-N 1 0 274.389 2.592 10 30 CFEERO CC(C)C[C@@H](C)[N@H+](C)Cc1cc(C#CCO)cs1 ZINC000043698720 175096581 /nfs/dbraw/zinc/09/65/81/175096581.db2.gz NRKMLKYWTSZAJF-CYBMUJFWSA-N 1 0 265.422 2.958 10 30 CFEERO CCCCC[N@H+](C)Cc1cc(C#CCO)cs1 ZINC000043698580 175096603 /nfs/dbraw/zinc/09/66/03/175096603.db2.gz XWUCCSRNFKTWBP-UHFFFAOYSA-N 1 0 251.395 2.714 10 30 CFEERO CC(C)C[C@@H](C[NH+](C)C)Nc1nc2c(cc1C#N)CCC2 ZINC000044419864 175173677 /nfs/dbraw/zinc/17/36/77/175173677.db2.gz IMTIHHYLDULEGJ-HNNXBMFYSA-N 1 0 286.423 2.830 10 30 CFEERO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000044676716 175227576 /nfs/dbraw/zinc/22/75/76/175227576.db2.gz VQUXTWBGNNBZMB-KURKYZTESA-N 1 0 278.355 2.737 10 30 CFEERO C[N@H+](CCOc1ccc(C#CCCO)cc1)CC(C)(C)C ZINC000045086788 175304128 /nfs/dbraw/zinc/30/41/28/175304128.db2.gz OCBGQCBNLQGHFA-UHFFFAOYSA-N 1 0 289.419 2.777 10 30 CFEERO C#CC[NH2+]Cc1ccc(OCC)c(Br)c1 ZINC000045945333 175387899 /nfs/dbraw/zinc/38/78/99/175387899.db2.gz LYDJSIGCRSAARU-UHFFFAOYSA-N 1 0 268.154 2.571 10 30 CFEERO C#CC[NH2+]Cc1ccc(OCCC)c(Br)c1 ZINC000045945341 175388026 /nfs/dbraw/zinc/38/80/26/175388026.db2.gz SAJKFBKELHAYEK-UHFFFAOYSA-N 1 0 282.181 2.961 10 30 CFEERO C[C@H]1Cc2ccccc2N1Cc1ccccc1C#CC[NH3+] ZINC000049608553 175491719 /nfs/dbraw/zinc/49/17/19/175491719.db2.gz IAFNCBIMLCSOMV-HNNXBMFYSA-N 1 0 276.383 2.948 10 30 CFEERO N#Cc1c(F)cccc1OCc1ccccc1C#CC[NH3+] ZINC000049611082 175493219 /nfs/dbraw/zinc/49/32/19/175493219.db2.gz MDZYASWRWBHFDV-UHFFFAOYSA-N 1 0 280.302 2.587 10 30 CFEERO COc1ccc(OCC#Cc2ccccc2)c(CC[NH3+])c1 ZINC000051814768 175525252 /nfs/dbraw/zinc/52/52/52/175525252.db2.gz ZSVMHSCORNLGOI-UHFFFAOYSA-N 1 0 281.355 2.627 10 30 CFEERO C=C(Cl)COc1cc(C[NH2+]CCOC)ccc1OC ZINC000062732619 175673827 /nfs/dbraw/zinc/67/38/27/175673827.db2.gz NFNCNTOWNOVEPZ-UHFFFAOYSA-N 1 0 285.771 2.563 10 30 CFEERO CC[C@H](CC[NH3+])CCC(=O)N(C)c1ccc(C#N)cc1 ZINC000079213144 177448450 /nfs/dbraw/zinc/44/84/50/177448450.db2.gz QZSZFRRONPEDEA-ZDUSSCGKSA-N 1 0 273.380 2.676 10 30 CFEERO C=C(C)CN(CC)C(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000079254552 177459357 /nfs/dbraw/zinc/45/93/57/177459357.db2.gz KGXFDDZUFPXHOT-AWEZNQCLSA-N 1 0 254.418 2.812 10 30 CFEERO Cn1cc([C@@H]2CCC[N@@H+]2CCCC(C)(C)C#N)cn1 ZINC000174846002 261199325 /nfs/dbraw/zinc/19/93/25/261199325.db2.gz QODFNAYZGBGBRO-AWEZNQCLSA-N 1 0 260.385 2.887 10 30 CFEERO CCn1cc(C2CC[NH+](CCCCC#N)CC2)cn1 ZINC000171037501 261456562 /nfs/dbraw/zinc/45/65/62/261456562.db2.gz SNXLBADBIIDMCR-UHFFFAOYSA-N 1 0 260.385 2.776 10 30 CFEERO C=CC1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000111632344 262354067 /nfs/dbraw/zinc/35/40/67/262354067.db2.gz ZKKHBPBSIRXHBE-KRWDZBQOSA-N 1 0 286.419 2.584 10 30 CFEERO CC[NH2+]CC1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000262081654 273685038 /nfs/dbraw/zinc/68/50/38/273685038.db2.gz HEJFWLWVWGNGLI-UHFFFAOYSA-N 1 0 294.402 2.932 10 30 CFEERO C[C@@H]1CCCN(c2cc(C#N)c3ccccc3n2)[C@H]1C[NH3+] ZINC000252111730 274291754 /nfs/dbraw/zinc/29/17/54/274291754.db2.gz HWFRVKGPAGSOOI-WBMJQRKESA-N 1 0 280.375 2.670 10 30 CFEERO C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000094342700 274362442 /nfs/dbraw/zinc/36/24/42/274362442.db2.gz ABXFKFVSDVPLHY-RNCFNFMXSA-N 1 0 283.297 2.751 10 30 CFEERO N#Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F ZINC000261812874 274920851 /nfs/dbraw/zinc/92/08/51/274920851.db2.gz ZUZMLKKSRVSHRN-MRCXROJRSA-N 1 0 295.308 2.751 10 30 CFEERO C=CC[NH2+]CC[C@@H]1CCC(=O)N1[C@@H](C)c1cccs1 ZINC000014974366 277872255 /nfs/dbraw/zinc/87/22/55/277872255.db2.gz WVCFSNJWSIGKSH-STQMWFEESA-N 1 0 278.421 2.966 10 30 CFEERO C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@H](C[NH3+])C1 ZINC000261596670 278558577 /nfs/dbraw/zinc/55/85/77/278558577.db2.gz MEUTUIRKJVBUJU-KOLCDFICSA-N 1 0 298.312 2.536 10 30 CFEERO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000132434199 279408990 /nfs/dbraw/zinc/40/89/90/279408990.db2.gz FTSLLTQZDIEKJN-VHSXEESVSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000252919368 288313793 /nfs/dbraw/zinc/31/37/93/288313793.db2.gz DIJABWJQZCJTFB-DOMZBBRYSA-N 1 0 289.810 2.880 10 30 CFEERO C=C[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000179342510 329207184 /nfs/dbraw/zinc/20/71/84/329207184.db2.gz XZEFPAYWVUVMNR-DOTOQJQBSA-N 1 0 284.403 2.653 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000181104188 329226315 /nfs/dbraw/zinc/22/63/15/329226315.db2.gz UHYSQVCILGTVDX-SOUVJXGZSA-N 1 0 279.428 2.609 10 30 CFEERO CC[NH+]=C(NC[C@@H]1CCCCO1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261636738 329973891 /nfs/dbraw/zinc/97/38/91/329973891.db2.gz CZGIAZQJUMMFSC-JYJNAYRXSA-N 1 0 293.455 2.643 10 30 CFEERO C/[NH+]=C(/N(C)C)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000261673612 329976794 /nfs/dbraw/zinc/97/67/94/329976794.db2.gz CHSFZAISWSUULO-BYSJWGDHSA-N 1 0 259.397 2.659 10 30 CFEERO [NH2+]=C(NC[C@H]1CC12CCOCC2)Nc1cc(F)ccc1F ZINC000262289158 330004498 /nfs/dbraw/zinc/00/44/98/330004498.db2.gz NDWKPCVOGTWJMS-SNVBAGLBSA-N 1 0 295.333 2.508 10 30 CFEERO CN(C)C(=[NH+]C[C@H]1CCCC[C@@H]1C(F)(F)F)N(C)C ZINC000262474927 330016030 /nfs/dbraw/zinc/01/60/30/330016030.db2.gz UWUFCQKJDUGUAK-MNOVXSKESA-N 1 0 279.350 2.834 10 30 CFEERO COc1ccccc1[C@@]1(C)C[C@H]1NC(=[NH2+])NC1CCCC1 ZINC000262681224 330026507 /nfs/dbraw/zinc/02/65/07/330026507.db2.gz SSBCFUCKQGBNIG-NVXWUHKLSA-N 1 0 287.407 2.572 10 30 CFEERO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1C[C@H]1C ZINC000262688049 330027236 /nfs/dbraw/zinc/02/72/36/330027236.db2.gz VOICHXLIYCHGDD-BARDWOONSA-N 1 0 295.471 2.791 10 30 CFEERO COCc1ccccc1NC(=[NH2+])NCc1occc1C ZINC000262715083 330028452 /nfs/dbraw/zinc/02/84/52/330028452.db2.gz RHFAQUTZGZGYBP-UHFFFAOYSA-N 1 0 273.336 2.661 10 30 CFEERO C[NH+]=C(N[C@H](C)c1ccc(OC)c(F)c1)NC1CCC1 ZINC000262756469 330029453 /nfs/dbraw/zinc/02/94/53/330029453.db2.gz BMBPUICKAUBBHE-SNVBAGLBSA-N 1 0 279.359 2.613 10 30 CFEERO COc1ccc(NC(=[NH2+])NC[C@@H]2CC23CC3)cc1Cl ZINC000263068485 330041996 /nfs/dbraw/zinc/04/19/96/330041996.db2.gz GKSDYGSBYMHVLO-VIFPVBQESA-N 1 0 279.771 2.875 10 30 CFEERO Cc1cc(C)cc(NC(=[NH2+])N[C@H]2C[C@@H]2C(F)F)c1 ZINC000263111021 330044061 /nfs/dbraw/zinc/04/40/61/330044061.db2.gz BBJGPFPUJUKZRB-QWRGUYRKSA-N 1 0 253.296 2.684 10 30 CFEERO COc1nccc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)n1 ZINC000263165184 330046822 /nfs/dbraw/zinc/04/68/22/330046822.db2.gz RCIZCUPVDIATBO-UHFFFAOYSA-N 1 0 299.378 2.535 10 30 CFEERO Cc1cccc(NC(=[NH2+])NCc2cnc(C3CC3)o2)c1 ZINC000263183062 330047847 /nfs/dbraw/zinc/04/78/47/330047847.db2.gz UNBFSHPYUGZSFP-UHFFFAOYSA-N 1 0 270.336 2.787 10 30 CFEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1CC12CCCC2 ZINC000263226990 330049804 /nfs/dbraw/zinc/04/98/04/330049804.db2.gz ATIHGIXSYKMDAQ-CQSZACIVSA-N 1 0 273.380 2.892 10 30 CFEERO C[C@@H](Nc1cccc(OCCCC#N)c1)[C@H]1CC[NH2+]C1 ZINC000400452844 332710756 /nfs/dbraw/zinc/71/07/56/332710756.db2.gz RMZGVENLQKXTKB-KGLIPLIRSA-N 1 0 273.380 2.779 10 30 CFEERO C=CCCCCC[N@H+]1CCN(CCOCC)[C@H](C)C1 ZINC000248821038 334318072 /nfs/dbraw/zinc/31/80/72/334318072.db2.gz XCEZSEURFZQIQP-MRXNPFEDSA-N 1 0 268.445 2.775 10 30 CFEERO [NH2+]=C(NCc1cc(Cl)sc1Cl)NC1CC1 ZINC000262003784 334523196 /nfs/dbraw/zinc/52/31/96/334523196.db2.gz QPLZNIANWVONEG-UHFFFAOYSA-N 1 0 264.181 2.622 10 30 CFEERO CC(C)CC[C@@H](C)NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000069235782 519681794 /nfs/dbraw/zinc/68/17/94/519681794.db2.gz AXYYGSGHZLMVLI-CYBMUJFWSA-N 1 0 290.382 2.690 10 30 CFEERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(N)cc1C#N ZINC000049555073 519775989 /nfs/dbraw/zinc/77/59/89/519775989.db2.gz OYJMBFLVBQVDJZ-AWEZNQCLSA-N 1 0 260.385 2.529 10 30 CFEERO CCCC1CC[NH+](CCC[C@@](C)(C#N)NC)CC1 ZINC000050905517 519901063 /nfs/dbraw/zinc/90/10/63/519901063.db2.gz MYIRBXDXEPQBMH-HNNXBMFYSA-N 1 0 251.418 2.780 10 30 CFEERO CCOC(=O)[C@]1(C#N)CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000049587225 521350490 /nfs/dbraw/zinc/35/04/90/521350490.db2.gz SIEAIBCTUHYJQF-WMLDXEAASA-N 1 0 286.375 2.744 10 30 CFEERO CCC1(C)CC[NH+](CCC[C@](C)(C#N)NC)CC1 ZINC000062955949 521677711 /nfs/dbraw/zinc/67/77/11/521677711.db2.gz DHWOSTCQBUWIAM-OAHLLOKOSA-N 1 0 251.418 2.780 10 30 CFEERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1ccccc1C#N ZINC000054601406 521957253 /nfs/dbraw/zinc/95/72/53/521957253.db2.gz TZUMGFLFRUCFHC-GOOCMWNKSA-N 1 0 255.365 2.668 10 30 CFEERO C[NH2+]CC1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000063166323 521977609 /nfs/dbraw/zinc/97/76/09/521977609.db2.gz OQVSDQUWOIOPNA-UHFFFAOYSA-N 1 0 263.772 2.647 10 30 CFEERO CC[C@H]([NH3+])[C@H](c1cccs1)N(C)[C@@H](C)CC#N ZINC000063085473 522344522 /nfs/dbraw/zinc/34/45/22/522344522.db2.gz RPODUNFILBXVNA-GMXVVIOVSA-N 1 0 251.399 2.760 10 30 CFEERO CN(CC(C)(C)C[NH3+])c1ccc(C#N)cc1Br ZINC000214366245 522547219 /nfs/dbraw/zinc/54/72/19/522547219.db2.gz LXEUCUPLNADHJQ-UHFFFAOYSA-N 1 0 296.212 2.742 10 30 CFEERO C[NH+](C)C1CCN([C@H](CC#N)c2ccccc2)CC1 ZINC000055020202 524040920 /nfs/dbraw/zinc/04/09/20/524040920.db2.gz OKHWGSXCGGHDHB-MRXNPFEDSA-N 1 0 257.381 2.667 10 30 CFEERO C[C@H](CCCC[NH3+])Nc1ncc(Br)cc1C#N ZINC000310163204 524139636 /nfs/dbraw/zinc/13/96/36/524139636.db2.gz RPJBPMHCHNMYMJ-SECBINFHSA-N 1 0 297.200 2.645 10 30 CFEERO C[C@@H]([NH3+])c1ccc(N(C)C[C@@H](C)C#N)c(Cl)c1 ZINC000061697440 525026463 /nfs/dbraw/zinc/02/64/63/525026463.db2.gz BNPYWJCVQZQHBY-VHSXEESVSA-N 1 0 251.761 2.956 10 30 CFEERO C[C@@H]([NH3+])c1cccc(OCc2cccnc2C#N)c1 ZINC000061656383 525031248 /nfs/dbraw/zinc/03/12/48/525031248.db2.gz XITDFEMMDZPVQL-LLVKDONJSA-N 1 0 253.305 2.552 10 30 CFEERO Cc1ccc(C#N)cc1NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000050430449 526004726 /nfs/dbraw/zinc/00/47/26/526004726.db2.gz PYNVRWAGEIBQFV-OFQRWUPVSA-N 1 0 283.375 2.726 10 30 CFEERO N#Cc1c(Br)cccc1NC[C@@H]1CCC[NH2+]C1 ZINC000169058215 526516836 /nfs/dbraw/zinc/51/68/36/526516836.db2.gz LARRATILZCJTTQ-SNVBAGLBSA-N 1 0 294.196 2.732 10 30 CFEERO N#Cc1c(Cl)cccc1OC1CCC([NH3+])CC1 ZINC000055143362 526519821 /nfs/dbraw/zinc/51/98/21/526519821.db2.gz YKHBHXCVNMSUDQ-UHFFFAOYSA-N 1 0 250.729 2.860 10 30 CFEERO N#Cc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)ccc1F ZINC000051638391 526568195 /nfs/dbraw/zinc/56/81/95/526568195.db2.gz TZTDUDCXTYGHEH-LKTVYLICSA-N 1 0 287.338 2.557 10 30 CFEERO N#Cc1cc(NC[C@@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000164117356 526570893 /nfs/dbraw/zinc/57/08/93/526570893.db2.gz RYJBJWQVUZRAJI-SECBINFHSA-N 1 0 269.270 2.598 10 30 CFEERO N#Cc1ccc(OC[C@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000051865973 526677353 /nfs/dbraw/zinc/67/73/53/526677353.db2.gz AKFNIDWXPMUAQF-SNVBAGLBSA-N 1 0 270.254 2.708 10 30 CFEERO Cn1nccc1C1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191978623 527599403 /nfs/dbraw/zinc/59/94/03/527599403.db2.gz KLVVWKWZSNAXFK-UHFFFAOYSA-N 1 0 298.365 2.810 10 30 CFEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000120565615 617730022 /nfs/dbraw/zinc/73/00/22/617730022.db2.gz RCIPHCAAAAXLRA-KBPBESRZSA-N 1 0 286.419 2.773 10 30 CFEERO Cc1ccc([C@H](C)[NH2+]CCO[C@@H](C)C#N)cc1F ZINC000310704998 618607084 /nfs/dbraw/zinc/60/70/84/618607084.db2.gz HNMGVDYOKFKMLS-RYUDHWBXSA-N 1 0 250.317 2.713 10 30 CFEERO C#CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000070246143 625290692 /nfs/dbraw/zinc/29/06/92/625290692.db2.gz DLARGRCBYWOCRI-AGUYFDCRSA-N 1 0 278.396 2.530 10 30 CFEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000119309049 619129452 /nfs/dbraw/zinc/12/94/52/619129452.db2.gz GDZINFRMSBZSSP-VHSXEESVSA-N 1 0 299.201 2.782 10 30 CFEERO CCC[NH2+]CCNc1c(C#N)cnc2ccccc21 ZINC000054267540 619968243 /nfs/dbraw/zinc/96/82/43/619968243.db2.gz YULAVYDPCARCTR-UHFFFAOYSA-N 1 0 254.337 2.518 10 30 CFEERO N#Cc1cc2ccccc2nc1NC1CCC([NH3+])CC1 ZINC000071385692 625510993 /nfs/dbraw/zinc/51/09/93/625510993.db2.gz UUQLNKBHKLSVAU-UHFFFAOYSA-N 1 0 266.348 2.788 10 30 CFEERO N#Cc1cc2ccccc2nc1N1CCC[C@@H](CC[NH3+])C1 ZINC000071386197 625511189 /nfs/dbraw/zinc/51/11/89/625511189.db2.gz ZRYJKZKAAJHPBI-ZDUSSCGKSA-N 1 0 280.375 2.672 10 30 CFEERO C[NH2+]C[C@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000068770801 625027232 /nfs/dbraw/zinc/02/72/32/625027232.db2.gz FIWJTCWMPMVHTC-CYBMUJFWSA-N 1 0 280.375 2.542 10 30 CFEERO CCCCCCCCCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000124341960 641976853 /nfs/dbraw/zinc/97/68/53/641976853.db2.gz MOQNEUINMKSZON-CQSZACIVSA-N 1 0 254.418 2.995 10 30 CFEERO C[NH2+]C[C@@H]1CCCCN1c1nc(C(F)(F)F)ccc1C#N ZINC000094337399 650956594 /nfs/dbraw/zinc/95/65/94/650956594.db2.gz YIVUWNNUNGWWDR-NSHDSACASA-N 1 0 298.312 2.550 10 30 CFEERO C#CCOc1ccc(C[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000131380043 645716107 /nfs/dbraw/zinc/71/61/07/645716107.db2.gz YUTUBLPQTIAWAQ-ZDUSSCGKSA-N 1 0 261.390 2.636 10 30 CFEERO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC)C2)cc1 ZINC000133018322 646007115 /nfs/dbraw/zinc/00/71/15/646007115.db2.gz XHPKQSFEMJAVPA-RDJZCZTQSA-N 1 0 286.419 2.834 10 30 CFEERO C=CC[NH+]1CCC(c2ccc(C(=O)OC)cc2)CC1 ZINC000113031768 347765693 /nfs/dbraw/zinc/76/56/93/347765693.db2.gz KNMGUCMYBOEMCL-UHFFFAOYSA-N 1 0 259.349 2.839 10 30 CFEERO CC[C@@H]1CN(c2c(C#N)cnc3ccccc32)CC[C@@H]1[NH3+] ZINC000123050292 347817761 /nfs/dbraw/zinc/81/77/61/347817761.db2.gz YAJATSADHCUPAG-DOMZBBRYSA-N 1 0 280.375 2.670 10 30 CFEERO C=C(Br)COc1ccc(C[NH2+]C(C)C)nc1 ZINC000086791257 179336451 /nfs/dbraw/zinc/33/64/51/179336451.db2.gz NURIBJWOTPAXRD-UHFFFAOYSA-N 1 0 285.185 2.867 10 30 CFEERO C#C[C@@H]([NH2+]C)c1cc(Cl)cc(Br)c1 ZINC000234448527 348220523 /nfs/dbraw/zinc/22/05/23/348220523.db2.gz NVZOHKOLZJPJTB-SNVBAGLBSA-N 1 0 258.546 2.996 10 30 CFEERO C=C(C)C[C@H]([NH3+])c1ccc(OC)c(OC)c1OC ZINC000229738980 348202845 /nfs/dbraw/zinc/20/28/45/348202845.db2.gz NFBSXOOREZRMMF-NSHDSACASA-N 1 0 251.326 2.678 10 30 CFEERO C=C(C)C[C@@H]([NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000229738156 348202934 /nfs/dbraw/zinc/20/29/34/348202934.db2.gz SPRCIHWAYZLLSK-LLVKDONJSA-N 1 0 251.326 2.678 10 30 CFEERO C=C(C)C[C@H]([NH3+])c1cc(OC)c(OC)cc1OC ZINC000229735025 348203044 /nfs/dbraw/zinc/20/30/44/348203044.db2.gz IHLLZZMVVXRZBO-NSHDSACASA-N 1 0 251.326 2.678 10 30 CFEERO C=CC[C@H]([NH3+])c1sccc1I ZINC000238663696 348248137 /nfs/dbraw/zinc/24/81/37/348248137.db2.gz AWJSRLZUQSGKDL-ZETCQYMHSA-N 1 0 279.146 2.929 10 30 CFEERO C[C@@H]([NH3+])C1CCN([C@@H](CC#N)c2ccccc2)CC1 ZINC000104140810 185908513 /nfs/dbraw/zinc/90/85/13/185908513.db2.gz LKSSRZGZKYPDEA-CJNGLKHVSA-N 1 0 257.381 2.701 10 30 CFEERO N#Cc1cccc(NC(=[NH2+])NCc2ccccc2)c1 ZINC000306652254 348390539 /nfs/dbraw/zinc/39/05/39/348390539.db2.gz GIPKBJXHTHQEFK-UHFFFAOYSA-N 1 0 250.305 2.695 10 30 CFEERO C[C@@H]([NH3+])C[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000320485419 348436959 /nfs/dbraw/zinc/43/69/59/348436959.db2.gz HKVLILXCQSEDFL-SFYZADRCSA-N 1 0 272.274 2.510 10 30 CFEERO C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594428335 349418812 /nfs/dbraw/zinc/41/88/12/349418812.db2.gz YECPYVPNKXSZDZ-SMDDNHRTSA-N 1 0 293.798 2.928 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1snc(Cl)c1C#N ZINC000271323568 191073109 /nfs/dbraw/zinc/07/31/09/191073109.db2.gz KNPSKYQGIYVELA-UWVGGRQHSA-N 1 0 296.827 2.731 10 30 CFEERO Cc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)cc1C#N ZINC000599282152 350406307 /nfs/dbraw/zinc/40/63/07/350406307.db2.gz OFACADVLPQPEQS-MRXNPFEDSA-N 1 0 258.365 2.604 10 30 CFEERO CCCCCCCCNC(=O)[C@H]([NH3+])CCSC ZINC000106273353 186105945 /nfs/dbraw/zinc/10/59/45/186105945.db2.gz DOUMLKRVZCUTJA-GFCCVEGCSA-N 1 0 260.447 2.544 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@H]1C[NH3+] ZINC000600961735 350637644 /nfs/dbraw/zinc/63/76/44/350637644.db2.gz VUYNCHPDSALXIK-MWLCHTKSSA-N 1 0 283.297 2.608 10 30 CFEERO N#Cc1ccc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000600952557 350636000 /nfs/dbraw/zinc/63/60/00/350636000.db2.gz ZPIARCQSANAYAA-AAEUAGOBSA-N 1 0 283.297 2.522 10 30 CFEERO C[C@@H]1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C[NH2+]1 ZINC000600954751 350636419 /nfs/dbraw/zinc/63/64/19/350636419.db2.gz HMFRYPKPPZMEAA-SCZZXKLOSA-N 1 0 284.285 2.524 10 30 CFEERO CC#CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000155868356 188232628 /nfs/dbraw/zinc/23/26/28/188232628.db2.gz ASYBRKVGKQNXPP-SJORKVTESA-N 1 0 257.377 2.988 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261608936 283092651 /nfs/dbraw/zinc/09/26/51/283092651.db2.gz DMPPKMSYLDVTTA-GWCFXTLKSA-N 1 0 295.308 2.765 10 30 CFEERO N#Cc1ccc(Cl)cc1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000131095024 283150228 /nfs/dbraw/zinc/15/02/28/283150228.db2.gz RTLLXNKVPNUCJR-YUTCNCBUSA-N 1 0 275.783 2.775 10 30 CFEERO N#Cc1cnc(C[N@@H+]2CCCC23CCCCC3)nc1 ZINC000333143554 283230145 /nfs/dbraw/zinc/23/01/45/283230145.db2.gz CROJIIWWGQTQMC-UHFFFAOYSA-N 1 0 256.353 2.647 10 30 CFEERO C#CCCCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000179661505 189210752 /nfs/dbraw/zinc/21/07/52/189210752.db2.gz SNXFRZRXLICTJD-INIZCTEOSA-N 1 0 272.392 2.599 10 30 CFEERO C=CCC[C@@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181552558 189300323 /nfs/dbraw/zinc/30/03/23/189300323.db2.gz CWZDIZZKARXJIW-CABCVRRESA-N 1 0 278.352 2.963 10 30 CFEERO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000182225130 189317428 /nfs/dbraw/zinc/31/74/28/189317428.db2.gz VPYCDZSDXPPQEY-LBPRGKRZSA-N 1 0 264.394 2.599 10 30 CFEERO CC1(C)CCC[NH2+][C@@H]1CNc1nccc(C#N)c1Cl ZINC000232894301 189818758 /nfs/dbraw/zinc/81/87/58/189818758.db2.gz PASGMVGKFHERNC-LLVKDONJSA-N 1 0 278.787 2.797 10 30 CFEERO CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000027625888 372344822 /nfs/dbraw/zinc/34/48/22/372344822.db2.gz YCUSOUKGASJIQR-HZPDHXFCSA-N 1 0 285.391 2.503 10 30 CFEERO C[C@@H](Nc1c(C#N)cnc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000050164082 373359895 /nfs/dbraw/zinc/35/98/95/373359895.db2.gz RPGYDVKIAJCNSE-OLZOCXBDSA-N 1 0 280.375 2.906 10 30 CFEERO N#Cc1ccc(NCC[NH2+]C2CC2)cc1C(F)(F)F ZINC000054267811 373509743 /nfs/dbraw/zinc/50/97/43/373509743.db2.gz GCNDLILFZYBMNE-UHFFFAOYSA-N 1 0 269.270 2.741 10 30 CFEERO CC(C)[C@@H]([NH3+])CNc1c(C#N)cnc2ccccc21 ZINC000070447841 374177785 /nfs/dbraw/zinc/17/77/85/374177785.db2.gz JSQXJJIKNRACAE-ZDUSSCGKSA-N 1 0 254.337 2.502 10 30 CFEERO N#Cc1csc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000092812891 375159289 /nfs/dbraw/zinc/15/92/89/375159289.db2.gz TYIWHKUJBBOKDE-ZDUSSCGKSA-N 1 0 298.415 2.949 10 30 CFEERO CC(C)[NH2+][C@@H]1CCOC[C@@H]1Cc1ccccc1C#N ZINC000095088457 375410437 /nfs/dbraw/zinc/41/04/37/375410437.db2.gz SEAWNCROEKBEMK-JKSUJKDBSA-N 1 0 258.365 2.504 10 30 CFEERO N#Cc1ccc(OCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114201450 376052903 /nfs/dbraw/zinc/05/29/03/376052903.db2.gz LBGIOVJMQPHIJN-KRWDZBQOSA-N 1 0 296.374 2.887 10 30 CFEERO CC(C)(C#N)CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127984481 377309642 /nfs/dbraw/zinc/30/96/42/377309642.db2.gz JXRPJRUYVXXMES-HIFRSBDPSA-N 1 0 250.386 2.553 10 30 CFEERO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000131906886 377776167 /nfs/dbraw/zinc/77/61/67/377776167.db2.gz JUAKUOJSBQGZMN-SFHVURJKSA-N 1 0 295.386 2.769 10 30 CFEERO N#Cc1ccc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000132894454 377884663 /nfs/dbraw/zinc/88/46/63/377884663.db2.gz YOUUDFGSJGAZJR-ROUUACIJSA-N 1 0 299.418 2.738 10 30 CFEERO CC#CC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134848881 378053280 /nfs/dbraw/zinc/05/32/80/378053280.db2.gz JQMPCDWWYYHHIV-OAHLLOKOSA-N 1 0 259.324 2.886 10 30 CFEERO CN1C(=S)S[C@@H](/[N+](O)=C\c2ccccc2)C1(C)C ZINC000150197408 378268700 /nfs/dbraw/zinc/26/87/00/378268700.db2.gz NAOMJRGRKHCPET-BTAWCLGRSA-N 1 0 281.426 2.575 10 30 CFEERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1ccc(C#N)o1 ZINC000174345487 379868977 /nfs/dbraw/zinc/86/89/77/379868977.db2.gz VMMCMRQQQUUICB-UHFFFAOYSA-N 1 0 293.367 2.544 10 30 CFEERO C[C@H](COCc1ccccc1)[NH2+]Cc1ccc(C#N)o1 ZINC000174619760 379919186 /nfs/dbraw/zinc/91/91/86/379919186.db2.gz PDTDXEHYELKGIH-CYBMUJFWSA-N 1 0 270.332 2.846 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1F ZINC000175056987 379987167 /nfs/dbraw/zinc/98/71/67/379987167.db2.gz AUMQTNDKOFDWDZ-JKSUJKDBSA-N 1 0 287.382 2.756 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(C#N)c1 ZINC000176262210 380204737 /nfs/dbraw/zinc/20/47/37/380204737.db2.gz HPBMLJXORWPOCW-HNNXBMFYSA-N 1 0 286.379 2.506 10 30 CFEERO C[C@H](CCC[NH3+])Nc1cccc(Br)c1C#N ZINC000336645389 380582383 /nfs/dbraw/zinc/58/23/83/380582383.db2.gz CZWAQCDNOVDSEI-SECBINFHSA-N 1 0 282.185 2.860 10 30 CFEERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000180132132 380623665 /nfs/dbraw/zinc/62/36/65/380623665.db2.gz AFVLVPSFEWANLI-CQSZACIVSA-N 1 0 286.404 2.789 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC#Cc1ccc(F)cc1 ZINC000180832041 380704023 /nfs/dbraw/zinc/70/40/23/380704023.db2.gz RWOBIOFHPMQQOF-ZWKOTPCHSA-N 1 0 286.394 2.736 10 30 CFEERO C=C(C)COCC[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000182630258 381124892 /nfs/dbraw/zinc/12/48/92/381124892.db2.gz JWUZBKKDDAAURJ-CQSZACIVSA-N 1 0 263.381 2.981 10 30 CFEERO CC(=O)c1ccc(C#N)c(N2CC[NH+](CCC(C)C)CC2)c1 ZINC000302084423 382206628 /nfs/dbraw/zinc/20/66/28/382206628.db2.gz DMPLCISOTFSAMZ-UHFFFAOYSA-N 1 0 299.418 2.929 10 30 CFEERO C=CC[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000189094868 382540879 /nfs/dbraw/zinc/54/08/79/382540879.db2.gz SCGFJJCEDKCMID-CVEARBPZSA-N 1 0 272.392 2.509 10 30 CFEERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(C#N)cc1Br ZINC000389721331 382616227 /nfs/dbraw/zinc/61/62/27/382616227.db2.gz GEUOCHUHJLBBAK-NOZJJQNGSA-N 1 0 294.196 2.731 10 30 CFEERO Cc1cnn([C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC000192009806 382704100 /nfs/dbraw/zinc/70/41/00/382704100.db2.gz KOWCZKCFJAHCML-SFHVURJKSA-N 1 0 279.387 2.880 10 30 CFEERO C/C=C/C(=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000575242683 382732691 /nfs/dbraw/zinc/73/26/91/382732691.db2.gz DVYLYGZYGRLKGW-GORDUTHDSA-N 1 0 259.349 2.920 10 30 CFEERO CCCCCCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195328286 382766554 /nfs/dbraw/zinc/76/65/54/382766554.db2.gz NRCHLZKLNFLRCE-AWEZNQCLSA-N 1 0 252.402 2.654 10 30 CFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000217456753 382786816 /nfs/dbraw/zinc/78/68/16/382786816.db2.gz MXZGQQSCKOXBAJ-GVDBMIGSSA-N 1 0 269.392 2.543 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C#N)ccc1OC ZINC000245979590 383055483 /nfs/dbraw/zinc/05/54/83/383055483.db2.gz GQIGRMWYVJGDRF-SJORKVTESA-N 1 0 299.418 2.625 10 30 CFEERO C=C[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245695424 383023110 /nfs/dbraw/zinc/02/31/10/383023110.db2.gz XZEFPAYWVUVMNR-RDJZCZTQSA-N 1 0 284.403 2.653 10 30 CFEERO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000248627731 383274435 /nfs/dbraw/zinc/27/44/35/383274435.db2.gz PCVXHUTXAVPHSM-ZNMIVQPWSA-N 1 0 264.413 2.674 10 30 CFEERO C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000251657229 383391617 /nfs/dbraw/zinc/39/16/17/383391617.db2.gz GSAWLCUCWIRZJU-QMTHXVAHSA-N 1 0 263.772 2.598 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(C#N)cc1 ZINC000252660784 383424373 /nfs/dbraw/zinc/42/43/73/383424373.db2.gz DGEKBMFWMWAILZ-YOEHRIQHSA-N 1 0 269.392 2.617 10 30 CFEERO C=C(C)C[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105918137 262353194 /nfs/dbraw/zinc/35/31/94/262353194.db2.gz NQTYKWWLRNRPNT-CQSZACIVSA-N 1 0 280.437 2.629 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1C ZINC000186309162 393543235 /nfs/dbraw/zinc/54/32/35/393543235.db2.gz YVHLJEIZMWBTBG-QZTJIDSGSA-N 1 0 283.419 2.925 10 30 CFEERO C[N@H+](CCN(CCC#N)CC1CC1)Cc1ccc(F)cc1 ZINC000181730286 393499925 /nfs/dbraw/zinc/49/99/25/393499925.db2.gz UTVHPKZVSOEURH-UHFFFAOYSA-N 1 0 289.398 2.883 10 30 CFEERO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000192869543 393635395 /nfs/dbraw/zinc/63/53/95/393635395.db2.gz RQXCYKVOKFJAND-NSHDSACASA-N 1 0 285.372 2.909 10 30 CFEERO CCc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122329592 393968080 /nfs/dbraw/zinc/96/80/80/393968080.db2.gz GZHIQRLDSATAQR-UONOGXRCSA-N 1 0 287.407 2.660 10 30 CFEERO C[NH+](C)C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000007816629 170304208 /nfs/dbraw/zinc/30/42/08/170304208.db2.gz UFZUDRRTOQXRMS-KRWDZBQOSA-N 1 0 293.370 2.591 10 30 CFEERO N#CCCN(C(=O)c1ccc(C[NH3+])cc1)c1ccccc1 ZINC000019833573 170883131 /nfs/dbraw/zinc/88/31/31/170883131.db2.gz PVYROPWHKKQGPR-UHFFFAOYSA-N 1 0 279.343 2.706 10 30 CFEERO CN(C)C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000020129383 171017492 /nfs/dbraw/zinc/01/74/92/171017492.db2.gz OPOHOVOOFRTIDT-SFHVURJKSA-N 1 0 279.387 2.951 10 30 CFEERO C#CC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000037184851 173016645 /nfs/dbraw/zinc/01/66/45/173016645.db2.gz DEMRVYMWCIPVNG-VIFPVBQESA-N 1 0 285.128 2.575 10 30 CFEERO C#CC[NH+]1CCC(Nc2ccccc2SC)CC1 ZINC000037279164 173088476 /nfs/dbraw/zinc/08/84/76/173088476.db2.gz RDJKUOSTNOHCBK-UHFFFAOYSA-N 1 0 260.406 2.918 10 30 CFEERO [NH3+]CC#Cc1ccccc1OCc1ccc(F)cc1 ZINC000037547908 173264312 /nfs/dbraw/zinc/26/43/12/173264312.db2.gz ORVFZJXSJBYOEP-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO C=CCC1([NH2+]C[C@H](O)COC(C)(C)C)CCCC1 ZINC000661850974 414257739 /nfs/dbraw/zinc/25/77/39/414257739.db2.gz MCZBSGNCVVISCF-ZDUSSCGKSA-N 1 0 255.402 2.641 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000662600174 414570809 /nfs/dbraw/zinc/57/08/09/414570809.db2.gz BTPXQZNXIASEGX-MCIONIFRSA-N 1 0 252.402 2.611 10 30 CFEERO C=C(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038652313 174150922 /nfs/dbraw/zinc/15/09/22/174150922.db2.gz AMTKJHWIWZRTEY-OAHLLOKOSA-N 1 0 259.349 2.770 10 30 CFEERO N#Cc1ccc([C@H](O)C[NH2+]Cc2cc3c(s2)CCC3)cc1 ZINC000040626737 174356273 /nfs/dbraw/zinc/35/62/73/174356273.db2.gz NLIJFDCKIOMCEI-MRXNPFEDSA-N 1 0 298.411 2.932 10 30 CFEERO C[C@H]1CCC[C@](CNc2cc(C#N)ccn2)([NH+](C)C)C1 ZINC000040670215 174368523 /nfs/dbraw/zinc/36/85/23/174368523.db2.gz HCBYJXGQHXZKOE-BBRMVZONSA-N 1 0 272.396 2.876 10 30 CFEERO CCN(c1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748749 174394159 /nfs/dbraw/zinc/39/41/59/174394159.db2.gz KXRMJMUYHIDFEX-MZBDJJRSSA-N 1 0 255.365 2.668 10 30 CFEERO COc1ccc(CC[NH3+])c(OCc2cccc(C#N)c2)c1 ZINC000040904666 174430646 /nfs/dbraw/zinc/43/06/46/174430646.db2.gz OCRXIZPOVXNOMF-UHFFFAOYSA-N 1 0 282.343 2.647 10 30 CFEERO N#Cc1ccc(O[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000042916332 174916401 /nfs/dbraw/zinc/91/64/01/174916401.db2.gz YJHDKKYIMQAWIW-OAHLLOKOSA-N 1 0 256.280 2.776 10 30 CFEERO C[C@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)c1ccco1 ZINC000043337815 175012436 /nfs/dbraw/zinc/01/24/36/175012436.db2.gz UTFZPYKIGDPUCY-LKFCYVNXSA-N 1 0 260.268 2.758 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)c1ccccn1 ZINC000043342293 175015778 /nfs/dbraw/zinc/01/57/78/175015778.db2.gz MFEJKZOLQSHORX-HOCLYGCPSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1ccccc1C#N)c1ccncc1 ZINC000043355537 175022995 /nfs/dbraw/zinc/02/29/95/175022995.db2.gz HNIUSQZEEXQTAV-GOEBONIOSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)c1ccncc1 ZINC000043356213 175023413 /nfs/dbraw/zinc/02/34/13/175023413.db2.gz NXGBGMANQUFGMX-GDBMZVCRSA-N 1 0 285.322 2.950 10 30 CFEERO Cc1ccc([C@H](Oc2ccccc2C#N)[C@@H](C)[NH3+])o1 ZINC000043366277 175027040 /nfs/dbraw/zinc/02/70/40/175027040.db2.gz LPLBXSGRJZWDER-IAQYHMDHSA-N 1 0 256.305 2.927 10 30 CFEERO Cc1ccc([C@@H](Oc2ccc(C#N)cc2)[C@H](C)[NH3+])o1 ZINC000043366043 175027130 /nfs/dbraw/zinc/02/71/30/175027130.db2.gz LIPXTGSTCPPPFZ-NHYWBVRUSA-N 1 0 256.305 2.927 10 30 CFEERO Cc1ccc([C@@H](Oc2cccc(C#N)c2)[C@H](C)[NH3+])o1 ZINC000043366525 175027302 /nfs/dbraw/zinc/02/73/02/175027302.db2.gz BCZISSXVCLHESU-NHYWBVRUSA-N 1 0 256.305 2.927 10 30 CFEERO N#Cc1ccccc1OCCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043425356 175040317 /nfs/dbraw/zinc/04/03/17/175040317.db2.gz UACYTWRZLDSJKQ-DOTOQJQBSA-N 1 0 286.375 2.580 10 30 CFEERO COc1ccccc1COc1ccccc1C#CC[NH3+] ZINC000043457890 175050427 /nfs/dbraw/zinc/05/04/27/175050427.db2.gz JIIHBJJQUNUNBU-UHFFFAOYSA-N 1 0 267.328 2.584 10 30 CFEERO CCOc1cccc(C[NH2+]C(C)C)c1O[C@@H](C)C#N ZINC000043513523 175061440 /nfs/dbraw/zinc/06/14/40/175061440.db2.gz INHUDGPOGIPWTK-LBPRGKRZSA-N 1 0 262.353 2.874 10 30 CFEERO CCOc1cc(C[NH3+])cc(Br)c1O[C@H](C)C#N ZINC000043513769 175061586 /nfs/dbraw/zinc/06/15/86/175061586.db2.gz JNLLXCLOEZIMOQ-MRVPVSSYSA-N 1 0 299.168 2.597 10 30 CFEERO C[C@H]([NH3+])Cc1cc(Br)ccc1O[C@@H](C)C#N ZINC000043518625 175061871 /nfs/dbraw/zinc/06/18/71/175061871.db2.gz QKQHQAGGANYTND-IUCAKERBSA-N 1 0 283.169 2.630 10 30 CFEERO CCOc1cc(C[C@@H]([NH3+])CC)ccc1O[C@@H](C)C#N ZINC000043518671 175061961 /nfs/dbraw/zinc/06/19/61/175061961.db2.gz HTMAHVHCJIWEOF-AAEUAGOBSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@@H]([NH3+])Cc1cc(OC)ccc1O[C@H](C#N)CC ZINC000043543525 175064170 /nfs/dbraw/zinc/06/41/70/175064170.db2.gz IHQVUSWHCLHIFP-OLZOCXBDSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@H](C#N)Oc1c(Cl)cc(CC[NH3+])cc1OC ZINC000043543473 175064217 /nfs/dbraw/zinc/06/42/17/175064217.db2.gz WLUPNYKRHKQSMA-SNVBAGLBSA-N 1 0 268.744 2.531 10 30 CFEERO CCOc1cccc(C[C@@H](C)[NH3+])c1O[C@@H](C#N)CC ZINC000043543633 175064249 /nfs/dbraw/zinc/06/42/49/175064249.db2.gz ITEDUFKENIHLPI-DGCLKSJQSA-N 1 0 262.353 2.656 10 30 CFEERO CCC[C@H](C)[N@H+](C)Cc1ccc(C#CCO)s1 ZINC000043677893 175089054 /nfs/dbraw/zinc/08/90/54/175089054.db2.gz UXBQXDWONNVIIC-LBPRGKRZSA-N 1 0 251.395 2.712 10 30 CFEERO C[C@@H]1CCC[N@H+](Cc2sccc2C#CCCO)C1 ZINC000043678900 175089669 /nfs/dbraw/zinc/08/96/69/175089669.db2.gz GKPMQAWSVKEDAX-CYBMUJFWSA-N 1 0 263.406 2.714 10 30 CFEERO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C#CCO)s1 ZINC000043679262 175089733 /nfs/dbraw/zinc/08/97/33/175089733.db2.gz QAUOKEYJRBHYBJ-STQMWFEESA-N 1 0 263.406 2.855 10 30 CFEERO CC[C@H](C)[N@H+](C)Cc1sccc1C#CCCO ZINC000043679359 175089991 /nfs/dbraw/zinc/08/99/91/175089991.db2.gz XTKAXAMHNNSFTD-LBPRGKRZSA-N 1 0 251.395 2.712 10 30 CFEERO CCC[N@H+](Cc1ccc(C#CCCO)s1)C1CC1 ZINC000043679488 175090338 /nfs/dbraw/zinc/09/03/38/175090338.db2.gz LJUAAEQFYZTNRQ-UHFFFAOYSA-N 1 0 263.406 2.856 10 30 CFEERO Cc1nc2ccccc2n1Cc1ccc(C#CC[NH3+])s1 ZINC000043684329 175093230 /nfs/dbraw/zinc/09/32/30/175093230.db2.gz DFZCGBUZPREKRG-UHFFFAOYSA-N 1 0 281.384 2.765 10 30 CFEERO [NH3+]CC#Cc1ccc(CSc2ccccn2)s1 ZINC000043685617 175093500 /nfs/dbraw/zinc/09/35/00/175093500.db2.gz IYONSEZUFLDLLZ-UHFFFAOYSA-N 1 0 260.387 2.746 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2cccc(F)c2)s1 ZINC000043684868 175093697 /nfs/dbraw/zinc/09/36/97/175093697.db2.gz DZSUXWBJPRUWND-UHFFFAOYSA-N 1 0 261.321 2.776 10 30 CFEERO [NH3+]CC#Cc1ccsc1COCCc1cccs1 ZINC000043685426 175094169 /nfs/dbraw/zinc/09/41/69/175094169.db2.gz FLAJDHDSLSRAGP-UHFFFAOYSA-N 1 0 277.414 2.879 10 30 CFEERO CC(C)[C@@H](C)[N@H+](C)Cc1cc(C#CCO)cs1 ZINC000043698618 175097058 /nfs/dbraw/zinc/09/70/58/175097058.db2.gz DQSMVCAMRLTVPA-GFCCVEGCSA-N 1 0 251.395 2.568 10 30 CFEERO C#CC[NH2+]Cc1cc(Br)ccc1OC(C)C ZINC000045945391 175388122 /nfs/dbraw/zinc/38/81/22/175388122.db2.gz QJRKJCSBYDPKCG-UHFFFAOYSA-N 1 0 282.181 2.959 10 30 CFEERO CC1CCC(OCCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000049610625 175492242 /nfs/dbraw/zinc/49/22/42/175492242.db2.gz ZDPHBBAYUDOKKX-UHFFFAOYSA-N 1 0 287.403 2.971 10 30 CFEERO C=C(C)COc1cc(C[NH2+]CC)ccc1[N+](=O)[O-] ZINC000050516977 175517014 /nfs/dbraw/zinc/51/70/14/175517014.db2.gz DYLGPGVVMYCDGY-UHFFFAOYSA-N 1 0 250.298 2.659 10 30 CFEERO C[NH2+]C[C@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000071148110 176044206 /nfs/dbraw/zinc/04/42/06/176044206.db2.gz OPYRJLXQIMFDHC-SNVBAGLBSA-N 1 0 283.297 2.623 10 30 CFEERO C[C@H]([NH3+])Cc1ccc(O[C@@H](C)C#N)c(C(F)(F)F)c1 ZINC000071399644 176152307 /nfs/dbraw/zinc/15/23/07/176152307.db2.gz ZIVLJNSHMNUSMY-IUCAKERBSA-N 1 0 272.270 2.886 10 30 CFEERO C=CCN(C(=O)CC[C@H]([NH3+])c1ccccc1)C(C)C ZINC000071400791 176153073 /nfs/dbraw/zinc/15/30/73/176153073.db2.gz VKDGNQDJFUPSMH-HNNXBMFYSA-N 1 0 260.381 2.890 10 30 CFEERO Cc1ccc2c(c1)[C@@H](C#N)N(CCCC[NH+]1CCCC1)C2=O ZINC000071678095 176243316 /nfs/dbraw/zinc/24/33/16/176243316.db2.gz WLGBOTIADADYQS-QGZVFWFLSA-N 1 0 297.402 2.892 10 30 CFEERO CCCCCCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000157921146 261155638 /nfs/dbraw/zinc/15/56/38/261155638.db2.gz KOPZTMIINNIFMB-UHFFFAOYSA-N 1 0 276.428 2.959 10 30 CFEERO C=C(C)COc1cc(C[NH2+]CCN(C)CC)ccc1OC ZINC000127288529 264248866 /nfs/dbraw/zinc/24/88/66/264248866.db2.gz WYNLXCXTACYFKB-UHFFFAOYSA-N 1 0 292.423 2.691 10 30 CFEERO Cc1ccc(Br)cc1C[NH+]=C(N(C)C)N(C)C ZINC000190089311 264391470 /nfs/dbraw/zinc/39/14/70/264391470.db2.gz FVUMDPYUPREZEC-UHFFFAOYSA-N 1 0 298.228 2.737 10 30 CFEERO N#Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nc2ccccc12 ZINC000262381193 274920806 /nfs/dbraw/zinc/92/08/06/274920806.db2.gz YTLVIVCQPWMUGE-VBNZEHGJSA-N 1 0 292.386 2.670 10 30 CFEERO C[C@H]1[C@@H]([NH3+])CCN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000261585395 280100190 /nfs/dbraw/zinc/10/01/90/280100190.db2.gz IKEGZOSJICJUOZ-UFBFGSQYSA-N 1 0 269.270 2.503 10 30 CFEERO C[C@]1(C[NH3+])CCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000261639539 280154442 /nfs/dbraw/zinc/15/44/42/280154442.db2.gz CECDYXNWIYIRME-CYBMUJFWSA-N 1 0 283.297 2.752 10 30 CFEERO CC[NH2+]CCCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000164066803 322380583 /nfs/dbraw/zinc/38/05/83/322380583.db2.gz SOMREGNFJYMFEC-UHFFFAOYSA-N 1 0 271.286 2.989 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382478020 324429085 /nfs/dbraw/zinc/42/90/85/324429085.db2.gz KQUFUELLCMILNK-WCBMZHEXSA-N 1 0 284.285 2.511 10 30 CFEERO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186408526 329341976 /nfs/dbraw/zinc/34/19/76/329341976.db2.gz PCPYWFZZUJLQLU-BFHYXJOUSA-N 1 0 253.386 2.515 10 30 CFEERO C=CCC1(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)CCC1 ZINC000188704978 329370581 /nfs/dbraw/zinc/37/05/81/329370581.db2.gz ZIZCHOKIWQFRCI-AWEZNQCLSA-N 1 0 264.413 2.676 10 30 CFEERO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1CCCO ZINC000232528837 329387400 /nfs/dbraw/zinc/38/74/00/329387400.db2.gz QJHHDSOZPTVRFQ-AWEZNQCLSA-N 1 0 252.402 2.943 10 30 CFEERO CC/[NH+]=C(/N(C)C)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000261768296 329982506 /nfs/dbraw/zinc/98/25/06/329982506.db2.gz NSLRWJHEFVETPJ-NNYVVRLASA-N 1 0 293.386 2.525 10 30 CFEERO CC[NH+]=C(NCC1(C)CC1)N[C@@H]1CCOc2ccccc21 ZINC000262452905 330014294 /nfs/dbraw/zinc/01/42/94/330014294.db2.gz WHWNPPAIQJYWSI-CQSZACIVSA-N 1 0 287.407 2.865 10 30 CFEERO COCc1ccccc1NC(=[NH2+])NC[C@@H]1CCC(F)(F)C1 ZINC000262496530 330017582 /nfs/dbraw/zinc/01/75/82/330017582.db2.gz YISZNEQSWWGLEX-LLVKDONJSA-N 1 0 297.349 2.995 10 30 CFEERO CC[NH+]=C(NCCc1c(C)[nH]c2ccccc21)N[C@@H]1C[C@@H]1C ZINC000262698555 330027876 /nfs/dbraw/zinc/02/78/76/330027876.db2.gz FPEUSSPNTUKJBJ-YVEFUNNKSA-N 1 0 298.434 2.982 10 30 CFEERO C[NH+]=C(NC1CCC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262820077 330034034 /nfs/dbraw/zinc/03/40/34/330034034.db2.gz XWFRRJVRKFHPRS-MWLCHTKSSA-N 1 0 277.334 2.825 10 30 CFEERO CC(C)Oc1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2C(F)F)cc1 ZINC000263111014 330044086 /nfs/dbraw/zinc/04/40/86/330044086.db2.gz BAYVPOQUYQVEPV-RYUDHWBXSA-N 1 0 283.322 2.854 10 30 CFEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1C[C@]1(C)C(C)C ZINC000263188244 330048229 /nfs/dbraw/zinc/04/82/29/330048229.db2.gz VFQPOIQKIWIMPX-GDBMZVCRSA-N 1 0 275.396 2.994 10 30 CFEERO CCOc1ccc(CNC2=[NH+]CCCN2C)cc1Cl ZINC000263201588 330048845 /nfs/dbraw/zinc/04/88/45/330048845.db2.gz XJLALXNTOZLOIV-UHFFFAOYSA-N 1 0 281.787 2.520 10 30 CFEERO C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1Cl ZINC000424075764 330220788 /nfs/dbraw/zinc/22/07/88/330220788.db2.gz KJDFTNRAQSXMQK-GXFFZTMASA-N 1 0 279.771 2.538 10 30 CFEERO CC(C)[NH+]1CCC(N=Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000498050245 332663390 /nfs/dbraw/zinc/66/33/90/332663390.db2.gz KNZJJGRXOAUZCQ-UHFFFAOYSA-N 1 0 276.340 2.867 10 30 CFEERO C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)cc1 ZINC000218998606 333139812 /nfs/dbraw/zinc/13/98/12/333139812.db2.gz HUQAARAILUSCNN-WBVHZDCISA-N 1 0 275.392 2.892 10 30 CFEERO C#C[C@H](CC)[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000229878275 333310510 /nfs/dbraw/zinc/31/05/10/333310510.db2.gz XEIOBAUIGUFMLE-WCQYABFASA-N 1 0 277.364 2.775 10 30 CFEERO C=CCC[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000076007781 334066285 /nfs/dbraw/zinc/06/62/85/334066285.db2.gz GKGYCSONIMKXRW-LBPRGKRZSA-N 1 0 254.374 2.552 10 30 CFEERO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000251244407 334358726 /nfs/dbraw/zinc/35/87/26/334358726.db2.gz STLODHISJGSJCT-INWMFGNUSA-N 1 0 258.365 2.995 10 30 CFEERO CC#CCOc1c(Br)cccc1C[C@H](C)[NH3+] ZINC000051666127 519343886 /nfs/dbraw/zinc/34/38/86/519343886.db2.gz XQVNXHKZLOEEGB-JTQLQIEISA-N 1 0 282.181 2.741 10 30 CFEERO CCC[NH2+][C@@H](C)c1nnc(-c2cccc(C#N)c2)o1 ZINC000050619171 519991228 /nfs/dbraw/zinc/99/12/28/519991228.db2.gz QNNPIASUOCEOCY-JTQLQIEISA-N 1 0 256.309 2.669 10 30 CFEERO CC[NH+](CC)CCCN[C@H](CC#N)c1ccccc1 ZINC000055015578 520623825 /nfs/dbraw/zinc/62/38/25/520623825.db2.gz ZNUYADMBXRSCMU-MRXNPFEDSA-N 1 0 259.397 2.963 10 30 CFEERO CC(C)[NH2+]C[C@@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000069402122 519723350 /nfs/dbraw/zinc/72/33/50/519723350.db2.gz ZPUYYVNSRFBIRW-AWEZNQCLSA-N 1 0 289.398 2.907 10 30 CFEERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)cc1 ZINC000054626581 519910704 /nfs/dbraw/zinc/91/07/04/519910704.db2.gz KRURDDAVTUDTHW-VHRNVKJDSA-N 1 0 255.365 2.668 10 30 CFEERO CC[NH2+]CC1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000262058933 519914363 /nfs/dbraw/zinc/91/43/63/519914363.db2.gz DTHJRNUQWHXMMC-UHFFFAOYSA-N 1 0 294.402 2.932 10 30 CFEERO CCN(Cc1cc(F)ccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000069402045 521294001 /nfs/dbraw/zinc/29/40/01/521294001.db2.gz UVZQYCVXJGTPSQ-SJPCQFCGSA-N 1 0 287.382 2.802 10 30 CFEERO CCC(C)(C)[N@H+](C)Cc1sccc1C#CCO ZINC000069443127 521307628 /nfs/dbraw/zinc/30/76/28/521307628.db2.gz GKFLJQOCUFDVOE-UHFFFAOYSA-N 1 0 251.395 2.712 10 30 CFEERO C[NH2+]CCC1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000069402200 521984901 /nfs/dbraw/zinc/98/49/01/521984901.db2.gz KVTHIOZGGDDWCB-UHFFFAOYSA-N 1 0 275.371 2.519 10 30 CFEERO COCC1(CNc2cc(Cl)ccc2C#N)CC[NH2+]CC1 ZINC000261816310 522904517 /nfs/dbraw/zinc/90/45/17/522904517.db2.gz SXSLRYAAAJXDCG-UHFFFAOYSA-N 1 0 293.798 2.640 10 30 CFEERO CC[C@H](C)[NH+]1CCN(c2cc(C)ccc2C#N)CC1 ZINC000055079972 523960085 /nfs/dbraw/zinc/96/00/85/523960085.db2.gz GIWXDEQYQKWVSL-AWEZNQCLSA-N 1 0 257.381 2.787 10 30 CFEERO CSC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000069443598 525680747 /nfs/dbraw/zinc/68/07/47/525680747.db2.gz NDJXFAWTACSYBP-SNVBAGLBSA-N 1 0 252.358 2.786 10 30 CFEERO N#CCc1nc2ccccc2n1-c1cccc(C[NH3+])c1 ZINC000069328534 526486879 /nfs/dbraw/zinc/48/68/79/526486879.db2.gz GWDVHTMRSFSUEF-UHFFFAOYSA-N 1 0 262.316 2.550 10 30 CFEERO N#C[C@H](CC[N@@H+]1CCC[C@H]1C1CCCC1)NC1CC1 ZINC000062436902 526508993 /nfs/dbraw/zinc/50/89/93/526508993.db2.gz GAPAKTXVVGWQRF-HOTGVXAUSA-N 1 0 261.413 2.675 10 30 CFEERO N#Cc1c(Cl)cccc1OC[C@@H]1CCCC[NH2+]1 ZINC000052908631 526520743 /nfs/dbraw/zinc/52/07/43/526520743.db2.gz PAYKZEMHOFDYQQ-JTQLQIEISA-N 1 0 250.729 2.733 10 30 CFEERO N#Cc1cc(NCC[C@@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000164087093 526571498 /nfs/dbraw/zinc/57/14/98/526571498.db2.gz GWJLCSPOOSNIGA-JTQLQIEISA-N 1 0 283.297 2.989 10 30 CFEERO N#Cc1cc(N[C@H]2CCC[NH2+]C2)ccc1C(F)(F)F ZINC000164086183 526573312 /nfs/dbraw/zinc/57/33/12/526573312.db2.gz HNSJDOGAVWGNSN-NSHDSACASA-N 1 0 269.270 2.741 10 30 CFEERO N#Cc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000162921937 526615261 /nfs/dbraw/zinc/61/52/61/526615261.db2.gz ZVUZVASGSYSMHT-OAHLLOKOSA-N 1 0 289.810 2.882 10 30 CFEERO N#Cc1ccc(NCCC[NH2+]Cc2cccnc2)cc1 ZINC000063197234 526660909 /nfs/dbraw/zinc/66/09/09/526660909.db2.gz FSHMGNATNYLTFI-UHFFFAOYSA-N 1 0 266.348 2.545 10 30 CFEERO N#Cc1ccc(N[C@H]2CCC[C@@H]2[NH3+])cc1C(F)(F)F ZINC000063177509 526668042 /nfs/dbraw/zinc/66/80/42/526668042.db2.gz LNLMMYIOWXUORX-RYUDHWBXSA-N 1 0 269.270 2.869 10 30 CFEERO CCc1nnc(NC[C@H]([NH3+])c2ccccc2)c(C#N)c1CC ZINC000262324927 618194149 /nfs/dbraw/zinc/19/41/49/618194149.db2.gz RNHGPWYFQWMJKJ-HNNXBMFYSA-N 1 0 295.390 2.585 10 30 CFEERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CC(C)(C)C#N)C1 ZINC000168920054 618202886 /nfs/dbraw/zinc/20/28/86/618202886.db2.gz DWTNMJIHWSFOSM-CYBMUJFWSA-N 1 0 295.427 2.773 10 30 CFEERO N#Cc1cc(Br)ccc1NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000310490448 618329744 /nfs/dbraw/zinc/32/97/44/618329744.db2.gz FUSIXCTULWSOLO-JOYOIKCWSA-N 1 0 294.196 2.860 10 30 CFEERO C[NH+]=C(N[C@H](C)c1ccc(OCC(C)C)cc1)N(C)C ZINC000261756311 618418200 /nfs/dbraw/zinc/41/82/00/618418200.db2.gz MLZXYBQUKORUFZ-CYBMUJFWSA-N 1 0 277.412 2.919 10 30 CFEERO C[NH2+][C@H](C)CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000261588080 619173082 /nfs/dbraw/zinc/17/30/82/619173082.db2.gz VLWKUXLYYRWNQW-MRVPVSSYSA-N 1 0 257.259 2.597 10 30 CFEERO N#Cc1cc(N[C@@H]2CCC[C@H]2C[NH3+])nc2ccccc12 ZINC000089092316 620019107 /nfs/dbraw/zinc/01/91/07/620019107.db2.gz QVGVNDRPNDMZMG-SMDDNHRTSA-N 1 0 266.348 2.646 10 30 CFEERO CCCCCCCCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000150759892 622743974 /nfs/dbraw/zinc/74/39/74/622743974.db2.gz LADGYCXUTJVTEI-UONOGXRCSA-N 1 0 254.418 2.981 10 30 CFEERO CCCCCCC[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000157989648 623086731 /nfs/dbraw/zinc/08/67/31/623086731.db2.gz XZBODZGFTFGKOJ-MRXNPFEDSA-N 1 0 279.428 2.863 10 30 CFEERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(C#N)cc1Br ZINC000229608063 623214761 /nfs/dbraw/zinc/21/47/61/623214761.db2.gz AMTGWBBLYMFJOU-BXKDBHETSA-N 1 0 294.196 2.873 10 30 CFEERO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000230686703 623293201 /nfs/dbraw/zinc/29/32/01/623293201.db2.gz ADTKSPXCKDRIRA-SKDRFNHKSA-N 1 0 295.180 2.937 10 30 CFEERO CC(C)([NH3+])CCNc1ccc(Br)cc1C#N ZINC000304543176 623943984 /nfs/dbraw/zinc/94/39/84/623943984.db2.gz DNYAVQOVTFVOGZ-UHFFFAOYSA-N 1 0 282.185 2.860 10 30 CFEERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)C1 ZINC000249615547 625113248 /nfs/dbraw/zinc/11/32/48/625113248.db2.gz ZQMLGFZMBNCQAK-ZBFHGGJFSA-N 1 0 287.407 2.724 10 30 CFEERO CC[N@@H+]1CCC[C@@H](Nc2snc(Cl)c2C#N)C1 ZINC000112075806 635273921 /nfs/dbraw/zinc/27/39/21/635273921.db2.gz ZELUTZUHFZBCIM-MRVPVSSYSA-N 1 0 270.789 2.564 10 30 CFEERO CCCCCCCCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000118124471 637138144 /nfs/dbraw/zinc/13/81/44/637138144.db2.gz HHGZUULISVEUEY-KGLIPLIRSA-N 1 0 254.418 2.994 10 30 CFEERO C#C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000122987523 639537008 /nfs/dbraw/zinc/53/70/08/639537008.db2.gz UIBAIKJMCJKRAE-BFHYXJOUSA-N 1 0 280.412 2.633 10 30 CFEERO N#Cc1cc(N[C@@H]2CCC[C@@H]2C[NH3+])nc2ccccc12 ZINC000089092314 650827778 /nfs/dbraw/zinc/82/77/78/650827778.db2.gz QVGVNDRPNDMZMG-BXUZGUMPSA-N 1 0 266.348 2.646 10 30 CFEERO C#CCOc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000091979109 650912883 /nfs/dbraw/zinc/91/28/83/650912883.db2.gz RYPYKSSFFPBZTE-ZWKOTPCHSA-N 1 0 285.387 2.842 10 30 CFEERO C[NH2+]C[C@H]1CCCCN1c1nc(C(F)(F)F)ccc1C#N ZINC000094337400 650956291 /nfs/dbraw/zinc/95/62/91/650956291.db2.gz YIVUWNNUNGWWDR-LLVKDONJSA-N 1 0 298.312 2.550 10 30 CFEERO C[C@]1(CNc2cc(C#N)c3ccccc3n2)CCC[NH2+]C1 ZINC000129407204 645189731 /nfs/dbraw/zinc/18/97/31/645189731.db2.gz RMDRVRLEVOPVQU-KRWDZBQOSA-N 1 0 280.375 2.908 10 30 CFEERO N#Cc1ncccc1NCC[NH2+]C1CCCCCC1 ZINC000130133912 645457725 /nfs/dbraw/zinc/45/77/25/645457725.db2.gz QTGDOLPYELIADT-UHFFFAOYSA-N 1 0 258.369 2.678 10 30 CFEERO N#Cc1ccc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000594693214 349474599 /nfs/dbraw/zinc/47/45/99/349474599.db2.gz LKWSFDLKSCCOLK-MRXNPFEDSA-N 1 0 269.392 2.774 10 30 CFEERO C[N+](C)(CCO)CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001995418 346206242 /nfs/dbraw/zinc/20/62/42/346206242.db2.gz UNRQMJQKCIGLFV-UHFFFAOYSA-N 1 0 284.379 2.605 10 30 CFEERO CC[NH2+]CCCNc1c(C#N)cnc2ccccc21 ZINC000038043508 346337140 /nfs/dbraw/zinc/33/71/40/346337140.db2.gz NTRDTPCPSNRSHQ-UHFFFAOYSA-N 1 0 254.337 2.518 10 30 CFEERO CC[C@@H](O)CC[N@H+](CCCC#N)Cc1ccccc1 ZINC000039080405 346341405 /nfs/dbraw/zinc/34/14/05/346341405.db2.gz VQMUXIUYGPEKME-MRXNPFEDSA-N 1 0 260.381 2.953 10 30 CFEERO [NH2+]=C(Cc1ccc(Br)cc1)NC1CC1 ZINC000059925580 346658775 /nfs/dbraw/zinc/65/87/75/346658775.db2.gz LLDLXROJNZOMEQ-UHFFFAOYSA-N 1 0 253.143 2.511 10 30 CFEERO N#Cc1ccc(NCC2CC[NH2+]CC2)c(Br)c1 ZINC000094009974 347690144 /nfs/dbraw/zinc/69/01/44/347690144.db2.gz LRWTVXOOQVGGFH-UHFFFAOYSA-N 1 0 294.196 2.732 10 30 CFEERO O=C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000117999559 347795293 /nfs/dbraw/zinc/79/52/93/347795293.db2.gz GPGHMUYOZRAMNQ-LJQANCHMSA-N 1 0 294.398 2.572 10 30 CFEERO N#CCC1(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000228491262 348195678 /nfs/dbraw/zinc/19/56/78/348195678.db2.gz GZPFDEDRKKSLNY-ZNMIVQPWSA-N 1 0 262.397 2.696 10 30 CFEERO N#Cc1cc(Br)ccc1NC[C@@H]1CCCC[NH2+]1 ZINC000229247308 348198607 /nfs/dbraw/zinc/19/86/07/348198607.db2.gz NRXGZEZDGJNZCM-LBPRGKRZSA-N 1 0 294.196 2.875 10 30 CFEERO C=C[C@@H]([NH3+])c1ccc(F)cc1I ZINC000229296552 348200029 /nfs/dbraw/zinc/20/00/29/348200029.db2.gz ACOHGVUUUXWSGM-SECBINFHSA-N 1 0 277.080 2.616 10 30 CFEERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1(C#N)CC(C)C1 ZINC000309823503 348408074 /nfs/dbraw/zinc/40/80/74/348408074.db2.gz QDOYOGGVJCUJPY-CSLYMUCUSA-N 1 0 299.418 2.563 10 30 CFEERO C[C@@H]([NH3+])C[C@@H](C)Nc1cccc(Br)c1C#N ZINC000320810092 348437427 /nfs/dbraw/zinc/43/74/27/348437427.db2.gz ICVHRQGXJLMPKR-RKDXNWHRSA-N 1 0 282.185 2.858 10 30 CFEERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(C#N)cc1Br ZINC000320856588 348437441 /nfs/dbraw/zinc/43/74/41/348437441.db2.gz MPXZZOVLLAZBOC-DTWKUNHWSA-N 1 0 282.185 2.858 10 30 CFEERO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCc2nccn2C1 ZINC000328646603 348442012 /nfs/dbraw/zinc/44/20/12/348442012.db2.gz STAOSWVQYHYCFE-CQSZACIVSA-N 1 0 298.365 2.588 10 30 CFEERO CN1CC(CC#N)=C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000584602607 348686483 /nfs/dbraw/zinc/68/64/83/348686483.db2.gz RVPXFAYLCYXVAV-GDBMZVCRSA-N 1 0 263.344 2.962 10 30 CFEERO Nc1ccc(N=NC2C=CC=C[N+]2=O)c2ccccc12 ZINC000584620777 348691979 /nfs/dbraw/zinc/69/19/79/348691979.db2.gz ZTWFIYBQVNPCCP-UHFFFAOYSA-O 1 0 264.288 2.834 10 30 CFEERO COc1ccnc([C@H](CCO)[C@H](C#N)c2ccccc2)c1 ZINC000584629558 348695331 /nfs/dbraw/zinc/69/53/31/348695331.db2.gz YNKSABTXYBJFGL-HZPDHXFCSA-N 1 0 282.343 2.864 10 30 CFEERO CC1(CNc2c(F)cc(C#N)cc2F)CC[NH2+]CC1 ZINC000129430320 187429797 /nfs/dbraw/zinc/42/97/97/187429797.db2.gz KVZVUGVEOQIGPH-UHFFFAOYSA-N 1 0 265.307 2.638 10 30 CFEERO C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccc(Cl)c1 ZINC000594425391 349417148 /nfs/dbraw/zinc/41/71/48/349417148.db2.gz IAGJHIGEUWKYEM-SMDDNHRTSA-N 1 0 293.798 2.928 10 30 CFEERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)c1 ZINC000105900239 186088049 /nfs/dbraw/zinc/08/80/49/186088049.db2.gz LPYNMDJPVPNQQU-QGZVFWFLSA-N 1 0 280.375 2.900 10 30 CFEERO C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000600961340 350638054 /nfs/dbraw/zinc/63/80/54/350638054.db2.gz PYTZOTSTRQHTFG-ONGXEEELSA-N 1 0 283.297 2.608 10 30 CFEERO C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C[NH3+] ZINC000600960996 350638130 /nfs/dbraw/zinc/63/81/30/350638130.db2.gz KJZARBAYIAWVFT-GXSJLCMTSA-N 1 0 283.297 2.608 10 30 CFEERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000600963232 350638779 /nfs/dbraw/zinc/63/87/79/350638779.db2.gz SUARYJAIPZNWOU-WPRPVWTQSA-N 1 0 269.270 2.503 10 30 CFEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cccc(Br)c1C#N ZINC000600950999 350635738 /nfs/dbraw/zinc/63/57/38/350635738.db2.gz CUXNLWGCSSAUOF-WCQYABFASA-N 1 0 294.196 2.873 10 30 CFEERO N#Cc1cc(N2CCC[C@@H]2C[NH3+])ccc1C(F)(F)F ZINC000132016848 283103756 /nfs/dbraw/zinc/10/37/56/283103756.db2.gz AHONOWXUDVUKIU-LLVKDONJSA-N 1 0 269.270 2.505 10 30 CFEERO N#Cc1ccc(Cl)cc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252869117 283150614 /nfs/dbraw/zinc/15/06/14/283150614.db2.gz RTLLXNKVPNUCJR-FPMFFAJLSA-N 1 0 275.783 2.775 10 30 CFEERO N#Cc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000172371463 283162785 /nfs/dbraw/zinc/16/27/85/283162785.db2.gz GZGHNVXRHGDLEN-GFCCVEGCSA-N 1 0 295.308 2.861 10 30 CFEERO Cc1nsc(N[C@@H](C)C[NH+]2CCCCCC2)c1C#N ZINC000329172895 202216100 /nfs/dbraw/zinc/21/61/00/202216100.db2.gz AJODNKKMZOSQNL-NSHDSACASA-N 1 0 278.425 3.000 10 30 CFEERO C=CCCC[C@H](C[NH2+]CC)NC(=O)OC(C)(C)C ZINC000675051281 540633132 /nfs/dbraw/zinc/63/31/32/540633132.db2.gz OWEOXUWELSUJQR-GFCCVEGCSA-N 1 0 256.390 2.846 10 30 CFEERO C[C@H]1C[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181688648 189304349 /nfs/dbraw/zinc/30/43/49/189304349.db2.gz RONMNWSUGRRQHU-GUYCJALGSA-N 1 0 269.392 2.521 10 30 CFEERO C=CCC[C@H](O)C[N@@H+](CCOC)Cc1ccc(F)cc1 ZINC000036030907 372554241 /nfs/dbraw/zinc/55/42/41/372554241.db2.gz YKNRTKJJILIOJY-INIZCTEOSA-N 1 0 281.371 2.601 10 30 CFEERO N#Cc1cc2c(nc1NC[C@@H]([NH3+])c1ccccc1)CCC2 ZINC000062838467 373767209 /nfs/dbraw/zinc/76/72/09/373767209.db2.gz ZNFICPOUZCPJCU-OAHLLOKOSA-N 1 0 278.359 2.554 10 30 CFEERO C=CC[NH+](CC=C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000068048762 374019879 /nfs/dbraw/zinc/01/98/79/374019879.db2.gz BSNNFGWURFTXEP-INIZCTEOSA-N 1 0 295.810 2.892 10 30 CFEERO C[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@H]1[NH+](C)C ZINC000251863780 189971765 /nfs/dbraw/zinc/97/17/65/189971765.db2.gz SSGPOYSYNJNXEP-QMTHXVAHSA-N 1 0 263.772 2.598 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(F)cc1C#N ZINC000092631311 375132298 /nfs/dbraw/zinc/13/22/98/375132298.db2.gz JJZCZGZOWNUAAM-CQSZACIVSA-N 1 0 261.344 2.618 10 30 CFEERO C#CCOc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810879 375158778 /nfs/dbraw/zinc/15/87/78/375158778.db2.gz YPDSDKDAEMCJMX-UHFFFAOYSA-N 1 0 295.386 2.801 10 30 CFEERO Cc1nc(C[C@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)no1 ZINC000092814389 375160978 /nfs/dbraw/zinc/16/09/78/375160978.db2.gz SIORQMPCZLYBFG-CQSZACIVSA-N 1 0 290.411 2.963 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)c1cccc(F)c1C#N ZINC000093232602 375197600 /nfs/dbraw/zinc/19/76/00/375197600.db2.gz BQXBIBLKXNEFPH-LBPRGKRZSA-N 1 0 261.344 2.618 10 30 CFEERO C=CCC[C@@H](O)CN1CCC[C@H]1c1noc(C(C)C)n1 ZINC000124977513 377105893 /nfs/dbraw/zinc/10/58/93/377105893.db2.gz CBNFRXJWYNYJAK-OLZOCXBDSA-N 1 0 279.384 2.657 10 30 CFEERO C[C@@]1(CNc2c(C#N)cnc3ccccc32)CCC[NH2+]C1 ZINC000129298786 377409396 /nfs/dbraw/zinc/40/93/96/377409396.db2.gz BCAFSTVSLXDBJA-QGZVFWFLSA-N 1 0 280.375 2.908 10 30 CFEERO C=C[C@H](CC(=O)N[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000130607125 377582723 /nfs/dbraw/zinc/58/27/23/377582723.db2.gz ATMFIKIUVSJASU-WBVHZDCISA-N 1 0 286.419 2.947 10 30 CFEERO C=CCOc1cccc(NC(=O)[C@@H](CCC)[NH+](C)C)c1 ZINC000138542747 378233319 /nfs/dbraw/zinc/23/33/19/378233319.db2.gz QUPROGGPPJODAL-OAHLLOKOSA-N 1 0 276.380 2.920 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC(C)(C)C#N ZINC000158997396 378680722 /nfs/dbraw/zinc/68/07/22/378680722.db2.gz LLVGIZUXBFZJTR-HUUCEWRRSA-N 1 0 263.429 2.875 10 30 CFEERO Cc1cc(C#N)cc(NCC[NH2+]C2CCCCCC2)n1 ZINC000161784091 378872159 /nfs/dbraw/zinc/87/21/59/378872159.db2.gz CSDLPFRAUGLOPC-UHFFFAOYSA-N 1 0 272.396 2.986 10 30 CFEERO N#Cc1cc(Cl)ccc1N1CCC2(C1)CC[NH2+]CC2 ZINC000335302094 379045153 /nfs/dbraw/zinc/04/51/53/379045153.db2.gz UVIOZKSIWGHLLF-UHFFFAOYSA-N 1 0 275.783 2.792 10 30 CFEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000181539418 380819830 /nfs/dbraw/zinc/81/98/30/380819830.db2.gz JWILNCJUVVGVOV-HIFRSBDPSA-N 1 0 287.407 2.654 10 30 CFEERO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000400434213 380858469 /nfs/dbraw/zinc/85/84/69/380858469.db2.gz KWSNPWDHAPSAKF-ZNMIVQPWSA-N 1 0 294.439 2.879 10 30 CFEERO C#C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000301017167 382066508 /nfs/dbraw/zinc/06/65/08/382066508.db2.gz ZVXOLCVWEVASLL-LSDHHAIUSA-N 1 0 294.439 2.881 10 30 CFEERO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)[C@H]1CCCO1 ZINC000187495721 382197923 /nfs/dbraw/zinc/19/79/23/382197923.db2.gz SFFQPVMBHYMARH-IINYFYTJSA-N 1 0 264.756 2.869 10 30 CFEERO C=CC[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000189094945 382540636 /nfs/dbraw/zinc/54/06/36/382540636.db2.gz SCGFJJCEDKCMID-JKSUJKDBSA-N 1 0 272.392 2.509 10 30 CFEERO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCc2nccn2C1 ZINC000328621149 382556661 /nfs/dbraw/zinc/55/66/61/382556661.db2.gz AIHPRDFCRYBVTM-CYBMUJFWSA-N 1 0 298.365 2.588 10 30 CFEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388305053 382605497 /nfs/dbraw/zinc/60/54/97/382605497.db2.gz GOZNEHWXYVSMCA-XJKCOSOUSA-N 1 0 257.381 2.536 10 30 CFEERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000389721297 382616329 /nfs/dbraw/zinc/61/63/29/382616329.db2.gz GDGCFFBIKBMGAF-TVQRCGJNSA-N 1 0 283.297 2.987 10 30 CFEERO C=CCCC[C@@H](C)NC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000245648655 383018342 /nfs/dbraw/zinc/01/83/42/383018342.db2.gz GOGXXQXEIQQAEL-KGLIPLIRSA-N 1 0 267.417 2.515 10 30 CFEERO C=C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000245608195 383013598 /nfs/dbraw/zinc/01/35/98/383013598.db2.gz ATMFIKIUVSJASU-RDJZCZTQSA-N 1 0 286.419 2.947 10 30 CFEERO C=CCOc1cccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000245784951 383036158 /nfs/dbraw/zinc/03/61/58/383036158.db2.gz VAIISAWEKRAYNF-RDJZCZTQSA-N 1 0 286.419 2.920 10 30 CFEERO CN(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248816811 383292936 /nfs/dbraw/zinc/29/29/36/383292936.db2.gz LALMHGFCUTUIHK-OIISXLGYSA-N 1 0 271.408 2.961 10 30 CFEERO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253090487 383443294 /nfs/dbraw/zinc/44/32/94/383443294.db2.gz IGBHZRMHGKAKPI-RBSFLKMASA-N 1 0 264.413 2.942 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261719637 383548638 /nfs/dbraw/zinc/54/86/38/383548638.db2.gz PYDVUZGJVMCDHA-ZWKOPEQDSA-N 1 0 295.308 2.751 10 30 CFEERO C#CCOC[C@@H](O)C[N@H+](Cc1ccc(C)cc1)[C@H](C)CC ZINC000036101844 393522495 /nfs/dbraw/zinc/52/24/95/393522495.db2.gz BYWQWYJDGNOUOC-AEFFLSMTSA-N 1 0 289.419 2.606 10 30 CFEERO C=CCC[C@@H](O)C[N@@H+](CCCOC)Cc1cccs1 ZINC000036096596 393522850 /nfs/dbraw/zinc/52/28/50/393522850.db2.gz OOGWOIWMWRYHMK-CQSZACIVSA-N 1 0 283.437 2.914 10 30 CFEERO C[C@H]([NH3+])[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000094337491 393807876 /nfs/dbraw/zinc/80/78/76/393807876.db2.gz YOOCWUPERUWWOE-ONGXEEELSA-N 1 0 298.312 2.536 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)c(C#N)c1 ZINC000246107984 393847708 /nfs/dbraw/zinc/84/77/08/393847708.db2.gz PJKNCXCIVAZSJK-CVEARBPZSA-N 1 0 287.382 2.756 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C#N)cc1C ZINC000126558352 394030554 /nfs/dbraw/zinc/03/05/54/394030554.db2.gz IPBBFFTXKRRQFP-HZPDHXFCSA-N 1 0 297.402 2.566 10 30 CFEERO N#CCSCCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000174159657 394377774 /nfs/dbraw/zinc/37/77/74/394377774.db2.gz OTNMVOFVKSDQKL-ZDUSSCGKSA-N 1 0 264.398 2.584 10 30 CFEERO CC#CC[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000051665175 397589961 /nfs/dbraw/zinc/58/99/61/397589961.db2.gz BPLLTQZFAOXSAP-LBPRGKRZSA-N 1 0 252.155 2.732 10 30 CFEERO CCOC(=O)C[N+]1(C)CCc2[nH]c3ccc(C)cc3c2C1 ZINC000005315533 170085096 /nfs/dbraw/zinc/08/50/96/170085096.db2.gz KVCCDWQRELMUKV-UHFFFAOYSA-N 1 0 287.383 2.542 10 30 CFEERO CNC(=[NH2+])SCc1ccc(Br)cc1 ZINC000007666229 170296438 /nfs/dbraw/zinc/29/64/38/170296438.db2.gz ATQDTSJDURXRGS-UHFFFAOYSA-N 1 0 259.172 2.627 10 30 CFEERO N#C[C@@H](c1ccccc1)[C@@H](O)C[n+]1ccc2ccccc2c1 ZINC000012941760 170522019 /nfs/dbraw/zinc/52/20/19/170522019.db2.gz VTTKPNADEGBKRR-OALUTQOASA-N 1 0 289.358 2.796 10 30 CFEERO C[NH+](C)CCN[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000020177286 171042990 /nfs/dbraw/zinc/04/29/90/171042990.db2.gz ZLGJVMUEDSGROF-NSHDSACASA-N 1 0 272.179 2.709 10 30 CFEERO ON=C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000020247083 171100590 /nfs/dbraw/zinc/10/05/90/171100590.db2.gz OYCDEBYVNSKINI-UHFFFAOYSA-N 1 0 255.321 2.661 10 30 CFEERO CC(C)[NH+](CCNCc1ccccc1OCC#N)C(C)C ZINC000034991980 171918783 /nfs/dbraw/zinc/91/87/83/171918783.db2.gz PQUKNLLMMKGEIF-UHFFFAOYSA-N 1 0 289.423 2.797 10 30 CFEERO CC[C@@H](C)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000040415533 174255583 /nfs/dbraw/zinc/25/55/83/174255583.db2.gz CLVGHASWWFIMBE-MRVPVSSYSA-N 1 0 265.382 2.563 10 30 CFEERO C[C@@H]1CC[N@H+](CCCC(=O)Nc2ccccc2C#N)C1 ZINC000040718170 174385021 /nfs/dbraw/zinc/38/50/21/174385021.db2.gz AIQVQKNYRYCZER-CYBMUJFWSA-N 1 0 271.364 2.619 10 30 CFEERO N#Cc1c(NC(=O)[C@H]([NH3+])c2ccccc2)sc2c1CCC2 ZINC000040853157 174421615 /nfs/dbraw/zinc/42/16/15/174421615.db2.gz LMSCQQVNOXIVRU-CQSZACIVSA-N 1 0 297.383 2.747 10 30 CFEERO [NH3+]CC#Cc1ccc2cc(OC[C@H]3CCOC3)ccc2c1 ZINC000042477921 174755953 /nfs/dbraw/zinc/75/59/53/174755953.db2.gz ZWISOZXOKMPBEU-HNNXBMFYSA-N 1 0 281.355 2.565 10 30 CFEERO C[C@@H](N(C)C(=O)c1ccccc1C#CC[NH3+])C(C)(C)C ZINC000042797754 174881944 /nfs/dbraw/zinc/88/19/44/174881944.db2.gz GVYFMLMZBFIGRM-CYBMUJFWSA-N 1 0 272.392 2.503 10 30 CFEERO CC[C@H]([NH3+])[C@@H](c1ccc(C)cc1)N(C)C[C@@H](C)C#N ZINC000042915503 174915539 /nfs/dbraw/zinc/91/55/39/174915539.db2.gz AJUMKCYGOLWSIY-CWRNSKLLSA-N 1 0 259.397 2.865 10 30 CFEERO COc1cc(C#N)ccc1O[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042916143 174916268 /nfs/dbraw/zinc/91/62/68/174916268.db2.gz BUHFYAZXCYNVBE-INIZCTEOSA-N 1 0 286.306 2.785 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1C#N)c1cccnc1 ZINC000043350003 175019222 /nfs/dbraw/zinc/01/92/22/175019222.db2.gz FCIJTLJHDQDCSP-HOCLYGCPSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)c1cccnc1 ZINC000043349728 175019319 /nfs/dbraw/zinc/01/93/19/175019319.db2.gz XOEUKZGUPPIMHX-HOTGVXAUSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)c1cccnc1 ZINC000043351257 175019688 /nfs/dbraw/zinc/01/96/88/175019688.db2.gz SLFMPLYMICAHDS-ZBFHGGJFSA-N 1 0 285.322 2.950 10 30 CFEERO C[C@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)c1cccnc1 ZINC000043351244 175019766 /nfs/dbraw/zinc/01/97/66/175019766.db2.gz GQRNKORVIBXEBQ-BONVTDFDSA-N 1 0 271.295 2.560 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)c1cccnc1 ZINC000043350419 175019943 /nfs/dbraw/zinc/01/99/43/175019943.db2.gz LZGUWEZTQPFFRO-HOTGVXAUSA-N 1 0 267.332 2.811 10 30 CFEERO Cc1ccc([C@@H](Oc2cccc(C#N)c2)[C@@H](C)[NH3+])o1 ZINC000043366523 175027236 /nfs/dbraw/zinc/02/72/36/175027236.db2.gz BCZISSXVCLHESU-ABAIWWIYSA-N 1 0 256.305 2.927 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)C(F)(F)F ZINC000043385169 175031611 /nfs/dbraw/zinc/03/16/11/175031611.db2.gz LCMIRBPCDYXBJS-ONGXEEELSA-N 1 0 276.233 2.744 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)C(F)(F)F ZINC000043385173 175031832 /nfs/dbraw/zinc/03/18/32/175031832.db2.gz LCMIRBPCDYXBJS-GXSJLCMTSA-N 1 0 276.233 2.744 10 30 CFEERO CCC[NH2+]Cc1ccc(O[C@H](C)C#N)c(OCC)c1 ZINC000043513464 175061451 /nfs/dbraw/zinc/06/14/51/175061451.db2.gz NOGZUIABDAIIKZ-GFCCVEGCSA-N 1 0 262.353 2.876 10 30 CFEERO CC[C@H]([NH3+])Cc1cc(Cl)c(O[C@@H](C)C#N)c(OC)c1 ZINC000043518537 175061918 /nfs/dbraw/zinc/06/19/18/175061918.db2.gz ZIXWJDVBIAPNKF-ONGXEEELSA-N 1 0 282.771 2.919 10 30 CFEERO COc1cc(C[C@H](C)[NH3+])cc(Cl)c1O[C@@H](C)C#N ZINC000043518528 175061970 /nfs/dbraw/zinc/06/19/70/175061970.db2.gz CZFYAIGHGMSTQM-IUCAKERBSA-N 1 0 268.744 2.529 10 30 CFEERO CCOc1cc(C[C@H]([NH3+])CC)ccc1O[C@H](C)C#N ZINC000043518678 175062090 /nfs/dbraw/zinc/06/20/90/175062090.db2.gz HTMAHVHCJIWEOF-DGCLKSJQSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@@H](C#N)Oc1cc(OC)ccc1C[NH2+]C(C)C ZINC000043539000 175064083 /nfs/dbraw/zinc/06/40/83/175064083.db2.gz QCLJIIULYQVHEJ-ZDUSSCGKSA-N 1 0 262.353 2.874 10 30 CFEERO CCOc1cccc(C[C@@H](C)[NH3+])c1O[C@H](C#N)CC ZINC000043543632 175064363 /nfs/dbraw/zinc/06/43/63/175064363.db2.gz ITEDUFKENIHLPI-YPMHNXCESA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@@H]([NH3+])Cc1cccc(OC)c1O[C@H](C#N)CC ZINC000043543621 175064407 /nfs/dbraw/zinc/06/44/07/175064407.db2.gz FHRSJSATHMLFDF-OLZOCXBDSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@H]([NH3+])Cc1cc(OC)ccc1O[C@H](C#N)CC ZINC000043543524 175064419 /nfs/dbraw/zinc/06/44/19/175064419.db2.gz IHQVUSWHCLHIFP-STQMWFEESA-N 1 0 262.353 2.656 10 30 CFEERO CCCC[N@H+](CC)Cc1ccc(C#CCO)s1 ZINC000043679105 175089692 /nfs/dbraw/zinc/08/96/92/175089692.db2.gz GMMVSSGGBVCOMC-UHFFFAOYSA-N 1 0 251.395 2.714 10 30 CFEERO CCCC[N@H+](CC)Cc1sccc1C#CCO ZINC000043679109 175089826 /nfs/dbraw/zinc/08/98/26/175089826.db2.gz WZXKYYKWHCZALZ-UHFFFAOYSA-N 1 0 251.395 2.714 10 30 CFEERO CC[N@H+](Cc1sccc1C#CCO)C1CCCC1 ZINC000043679686 175090454 /nfs/dbraw/zinc/09/04/54/175090454.db2.gz SPLAJCVLKFXDIZ-UHFFFAOYSA-N 1 0 263.406 2.856 10 30 CFEERO CC(C)[C@H](C)[N@H+](C)Cc1sccc1C#CCCO ZINC000043679737 175090489 /nfs/dbraw/zinc/09/04/89/175090489.db2.gz FFPRPSONBREYLT-ZDUSSCGKSA-N 1 0 265.422 2.958 10 30 CFEERO [NH3+]CC#Cc1ccc(CN(CC(F)(F)F)C2CC2)s1 ZINC000043684265 175092898 /nfs/dbraw/zinc/09/28/98/175092898.db2.gz IIDQVKBAKTWIJR-UHFFFAOYSA-N 1 0 288.338 2.585 10 30 CFEERO [NH3+]CC#Cc1ccsc1COc1ccc(F)cc1 ZINC000043684830 175093487 /nfs/dbraw/zinc/09/34/87/175093487.db2.gz XMXPYZNVTFOFFX-UHFFFAOYSA-N 1 0 261.321 2.776 10 30 CFEERO C[C@@H](C1CC1)[N@H+](C)Cc1cc(C#CCCO)cs1 ZINC000043698616 175096573 /nfs/dbraw/zinc/09/65/73/175096573.db2.gz QXEDYCBBXIWFHL-LBPRGKRZSA-N 1 0 263.406 2.712 10 30 CFEERO CCC(CC)[N@H+](C)Cc1cc(C#CCO)cs1 ZINC000043698624 175096857 /nfs/dbraw/zinc/09/68/57/175096857.db2.gz LCKNFRYHDWVACJ-UHFFFAOYSA-N 1 0 251.395 2.712 10 30 CFEERO CC1([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCCCC1 ZINC000045045186 175296023 /nfs/dbraw/zinc/29/60/23/175296023.db2.gz JENTZCBRKSHESQ-HNNXBMFYSA-N 1 0 288.391 2.610 10 30 CFEERO CC1([NH2+]C[C@H](O)COc2ccccc2C#N)CCCCC1 ZINC000045045167 175296057 /nfs/dbraw/zinc/29/60/57/175296057.db2.gz HQDUJHSYCFUQQQ-HNNXBMFYSA-N 1 0 288.391 2.610 10 30 CFEERO [NH3+]CC#Cc1cccc(Cn2ccnc2-c2cccs2)c1 ZINC000045048663 175296978 /nfs/dbraw/zinc/29/69/78/175296978.db2.gz ZEAXGOTVLVMZTA-UHFFFAOYSA-N 1 0 293.395 2.970 10 30 CFEERO C#CCOc1ccc(C[NH2+]CCC(C)C)cc1OC ZINC000045945989 175388200 /nfs/dbraw/zinc/38/82/00/175388200.db2.gz CWVSVMAFLBMVAI-UHFFFAOYSA-N 1 0 261.365 2.843 10 30 CFEERO Cc1nn(Cc2ccc(C#CC[NH3+])cc2F)c(C)c1Cl ZINC000050587888 175517809 /nfs/dbraw/zinc/51/78/09/175517809.db2.gz YVEAGKFRRDTWHN-UHFFFAOYSA-N 1 0 291.757 2.651 10 30 CFEERO C[C@H](C#N)Oc1ccc(C[C@H](C)[NH3+])cc1C(F)(F)F ZINC000071399646 176152290 /nfs/dbraw/zinc/15/22/90/176152290.db2.gz ZIVLJNSHMNUSMY-DTWKUNHWSA-N 1 0 272.270 2.886 10 30 CFEERO CC[C@@H](C)N1C(=O)c2ccc(C[NH+](C)C)cc2C1C#N ZINC000071680414 176245087 /nfs/dbraw/zinc/24/50/87/176245087.db2.gz ZGZIJFWDMZACDB-ABAIWWIYSA-N 1 0 271.364 2.567 10 30 CFEERO CCC[C@H](CC[NH3+])CCC(=O)NCc1ccc(C#N)cc1 ZINC000079237914 177453420 /nfs/dbraw/zinc/45/34/20/177453420.db2.gz JUBPZQXAJXDOAU-AWEZNQCLSA-N 1 0 287.407 2.720 10 30 CFEERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000078595275 260300935 /nfs/dbraw/zinc/30/09/35/260300935.db2.gz OGURPYWEHHSRDS-CABCVRRESA-N 1 0 287.407 2.956 10 30 CFEERO CCC[C@]1(C)CCCN(C(NC[C@@H]2CCOC2)=[NH+]CC)C1 ZINC000128193847 264282608 /nfs/dbraw/zinc/28/26/08/264282608.db2.gz ZJLZQOULUASXNW-DOTOQJQBSA-N 1 0 295.471 2.891 10 30 CFEERO Cc1cc(N[C@H](C[NH3+])C2CCCCC2)cc(C#N)n1 ZINC000308245302 267350316 /nfs/dbraw/zinc/35/03/16/267350316.db2.gz RJKJIIAHNMSDDE-OAHLLOKOSA-N 1 0 258.369 2.581 10 30 CFEERO C[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)[C@@H](C[NH3+])C1 ZINC000235385866 274304393 /nfs/dbraw/zinc/30/43/93/274304393.db2.gz CZNIQEYYGYAOKR-TZMCWYRMSA-N 1 0 280.375 2.670 10 30 CFEERO C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C[NH3+] ZINC000253197315 274563154 /nfs/dbraw/zinc/56/31/54/274563154.db2.gz URUDZCZGRHSKKG-CMPLNLGQSA-N 1 0 297.324 2.998 10 30 CFEERO CC1(C)CN(c2ccc(C#N)cc2Br)CC[NH2+]1 ZINC000212741477 275850323 /nfs/dbraw/zinc/85/03/23/275850323.db2.gz LNPPJFNQAHXJQJ-UHFFFAOYSA-N 1 0 294.196 2.509 10 30 CFEERO C[NH+](C)[C@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000105569329 276874380 /nfs/dbraw/zinc/87/43/80/276874380.db2.gz MIMYMOARRQPCDR-LBPRGKRZSA-N 1 0 283.297 2.717 10 30 CFEERO C[C@@H]([NH3+])C1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000110651631 278305197 /nfs/dbraw/zinc/30/51/97/278305197.db2.gz LGYRGIOWSMIHRP-SNVBAGLBSA-N 1 0 263.772 2.775 10 30 CFEERO C[C@H]([NH3+])c1nc(C2CC2)ncc1-c1ccc(C#N)cc1 ZINC000090567201 279423184 /nfs/dbraw/zinc/42/31/84/279423184.db2.gz NBRFXEGGFJVEFI-JTQLQIEISA-N 1 0 264.332 2.912 10 30 CFEERO N#Cc1ccc(N2CCCC[C@H]2C[NH3+])c(Br)c1 ZINC000214306151 279519617 /nfs/dbraw/zinc/51/96/17/279519617.db2.gz YTPOHNDBGAWNBI-NSHDSACASA-N 1 0 294.196 2.638 10 30 CFEERO Cc1cc(C)c(C#N)c(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000063201190 280379990 /nfs/dbraw/zinc/37/99/90/280379990.db2.gz FYIIUWKTPAIBAR-MRXNPFEDSA-N 1 0 284.407 2.539 10 30 CFEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000119306492 327899292 /nfs/dbraw/zinc/89/92/92/327899292.db2.gz ANYOJJHXCTUDRZ-UONOGXRCSA-N 1 0 280.371 2.628 10 30 CFEERO C=CC1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000111826659 328378291 /nfs/dbraw/zinc/37/82/91/328378291.db2.gz LXQVJKLUGARAEM-OAHLLOKOSA-N 1 0 281.444 2.570 10 30 CFEERO N#Cc1cc(Cl)ccc1N[C@@H](CC[NH3+])C(F)F ZINC000383433879 324439603 /nfs/dbraw/zinc/43/96/03/324439603.db2.gz IHBAPFYBQNBHBJ-JTQLQIEISA-N 1 0 259.687 2.606 10 30 CFEERO CN(c1ccc(C(F)(F)F)c(C#N)c1)C1CC([NH3+])C1 ZINC000384974783 324455451 /nfs/dbraw/zinc/45/54/51/324455451.db2.gz IVHWYVSAUFDYEG-UHFFFAOYSA-N 1 0 269.270 2.503 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCCC(C)(C)C#N ZINC000252606213 327006512 /nfs/dbraw/zinc/00/65/12/327006512.db2.gz QJDFWZZPVHCEHI-GJZGRUSLSA-N 1 0 263.429 2.875 10 30 CFEERO C=C(C)C[N@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000181296276 329230417 /nfs/dbraw/zinc/23/04/17/329230417.db2.gz QQLJEKALDPMJJN-OAHLLOKOSA-N 1 0 283.799 2.725 10 30 CFEERO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000181305984 329230723 /nfs/dbraw/zinc/23/07/23/329230723.db2.gz ZNWSQZABHWIHMS-UONOGXRCSA-N 1 0 260.381 2.760 10 30 CFEERO C[NH+]=C(NCc1scnc1C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261634900 329973785 /nfs/dbraw/zinc/97/37/85/329973785.db2.gz CSCLTEYIHUDJPX-STQMWFEESA-N 1 0 292.452 2.649 10 30 CFEERO C=C(C)CNC(=[NH2+])N[C@H]1C[C@H](c2ccc(OC)c(F)c2)C1 ZINC000261707219 329978814 /nfs/dbraw/zinc/97/88/14/329978814.db2.gz MESPZGNSMHOJSD-JOCQHMNTSA-N 1 0 291.370 2.561 10 30 CFEERO CC[NH+]=C(N[C@@H]1C[C@H]1C)N1CCC(OC(C)(C)C)CC1 ZINC000261705372 329978820 /nfs/dbraw/zinc/97/88/20/329978820.db2.gz GPXXBQVZVJRTAN-TZMCWYRMSA-N 1 0 281.444 2.640 10 30 CFEERO CCN(CC)C(=[NH2+])NCc1c(C)c2ccccc2n1C ZINC000262474133 330015885 /nfs/dbraw/zinc/01/58/85/330015885.db2.gz PQVNVWNZYVVZHD-UHFFFAOYSA-N 1 0 272.396 2.643 10 30 CFEERO CN(C)C(=[NH+]C[C@@H]1CCCC[C@H]1C(F)(F)F)N(C)C ZINC000262474935 330016011 /nfs/dbraw/zinc/01/60/11/330016011.db2.gz UWUFCQKJDUGUAK-WDEREUQCSA-N 1 0 279.350 2.834 10 30 CFEERO COCc1ccccc1NC(=[NH2+])NC[C@H]1CCC(F)(F)C1 ZINC000262496532 330017534 /nfs/dbraw/zinc/01/75/34/330017534.db2.gz YISZNEQSWWGLEX-NSHDSACASA-N 1 0 297.349 2.995 10 30 CFEERO CCc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000262828778 330034370 /nfs/dbraw/zinc/03/43/70/330034370.db2.gz RARAVIGNXPXDGL-RBSFLKMASA-N 1 0 273.380 2.543 10 30 CFEERO C[NH+]=C(NCc1nccc2ccccc21)N[C@@H](C)C(C)C ZINC000263109800 330044153 /nfs/dbraw/zinc/04/41/53/330044153.db2.gz DLVWROQZAHKHJZ-ZDUSSCGKSA-N 1 0 284.407 2.944 10 30 CFEERO COc1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2C(F)F)cc1Cl ZINC000263176613 330047424 /nfs/dbraw/zinc/04/74/24/330047424.db2.gz TWUIBUJKXPBYJM-CBAPKCEASA-N 1 0 289.713 2.729 10 30 CFEERO C[NH+]=C(NCc1ccn(-c2ccccc2)n1)N[C@@H](C)C(C)C ZINC000263247428 330050636 /nfs/dbraw/zinc/05/06/36/330050636.db2.gz NNOSFKKHGATSJR-AWEZNQCLSA-N 1 0 299.422 2.582 10 30 CFEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(Cl)c1 ZINC000424077382 330221001 /nfs/dbraw/zinc/22/10/01/330221001.db2.gz NXSSGSZVDFOYOQ-GWCFXTLKSA-N 1 0 279.771 2.538 10 30 CFEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)s1 ZINC000424099942 330232801 /nfs/dbraw/zinc/23/28/01/330232801.db2.gz NFVVMMQFFHWGNJ-IUCAKERBSA-N 1 0 285.800 2.600 10 30 CFEERO C#CCOc1ccc(Cl)cc1C[NH2+]CCCCCO ZINC000045946045 330350008 /nfs/dbraw/zinc/35/00/08/330350008.db2.gz PQDBFBHMDKNNDU-UHFFFAOYSA-N 1 0 281.783 2.604 10 30 CFEERO CC[C@H](CC#N)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400367212 332707763 /nfs/dbraw/zinc/70/77/63/332707763.db2.gz SBYUIAGAEWKNPC-BFHYXJOUSA-N 1 0 295.427 2.914 10 30 CFEERO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400446307 332710198 /nfs/dbraw/zinc/71/01/98/332710198.db2.gz PPTUWAFNFOVDGF-VXGBXAGGSA-N 1 0 288.819 2.974 10 30 CFEERO C=C(C)C[C@H](C)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000185755500 333148157 /nfs/dbraw/zinc/14/81/57/333148157.db2.gz QGVVQDIDMFTRSC-KBPBESRZSA-N 1 0 252.402 2.531 10 30 CFEERO C=CC[N@H+]1CC[C@H]2[C@H]1CCN2C(=O)c1sccc1C ZINC000253598253 333185665 /nfs/dbraw/zinc/18/56/65/333185665.db2.gz DTEXHBMEJOWHCF-OLZOCXBDSA-N 1 0 276.405 2.531 10 30 CFEERO C#C[C@H](CC)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000229896683 333311307 /nfs/dbraw/zinc/31/13/07/333311307.db2.gz NVFPJFGSUZNKHW-ZIAGYGMSSA-N 1 0 280.412 2.635 10 30 CFEERO C[C@@H]([NH2+]CCOCCC#N)c1ccc(Cl)s1 ZINC000339086501 335141428 /nfs/dbraw/zinc/14/14/28/335141428.db2.gz MCCGHPGWSBMINL-SECBINFHSA-N 1 0 258.774 2.982 10 30 CFEERO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000249051724 334326019 /nfs/dbraw/zinc/32/60/19/334326019.db2.gz XPUHTDJEGAMNSF-BZUAXINKSA-N 1 0 263.429 2.779 10 30 CFEERO CCC[NH2+]CCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000164076811 519918762 /nfs/dbraw/zinc/91/87/62/519918762.db2.gz HHZIPHPOPDQNMO-UHFFFAOYSA-N 1 0 271.286 2.989 10 30 CFEERO CC[NH+](CC)CCNc1ccc(C#N)cc1Cl ZINC000062790715 520690595 /nfs/dbraw/zinc/69/05/95/520690595.db2.gz IOAFKMTVSIRXNG-UHFFFAOYSA-N 1 0 251.761 2.965 10 30 CFEERO C=C(C)CN(CC)c1ccc(C[NH2+]CC(C)C)nn1 ZINC000051437134 518601776 /nfs/dbraw/zinc/60/17/76/518601776.db2.gz RVYSPQWNQJKREX-UHFFFAOYSA-N 1 0 262.401 2.625 10 30 CFEERO CC(C)CC[C@H](C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000069235781 519691341 /nfs/dbraw/zinc/69/13/41/519691341.db2.gz KVEVOFBPVBCXEX-AWEZNQCLSA-N 1 0 272.392 2.551 10 30 CFEERO CC(C)[C@@H]([NH3+])CNc1ccc(C#N)cc1Br ZINC000169226145 519796427 /nfs/dbraw/zinc/79/64/27/519796427.db2.gz ZRDJRUWKFRVRBB-NSHDSACASA-N 1 0 282.185 2.716 10 30 CFEERO CC[NH+](CC)C[C@H](C)N[C@H]1CCCCC[C@@H]1C#N ZINC000054828651 520735295 /nfs/dbraw/zinc/73/52/95/520735295.db2.gz BTXUYGZUVDYDMG-ZNMIVQPWSA-N 1 0 251.418 2.779 10 30 CFEERO C[NH2+][C@@H]1CCCN(c2ccc(Br)cc2C#N)C1 ZINC000229247806 536366032 /nfs/dbraw/zinc/36/60/32/536366032.db2.gz DYDOHXMZNOKVMX-GFCCVEGCSA-N 1 0 294.196 2.509 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1C#N ZINC000246006904 523317062 /nfs/dbraw/zinc/31/70/62/523317062.db2.gz JWXQZDJMLYCACD-IRXDYDNUSA-N 1 0 287.382 2.756 10 30 CFEERO C[N@@H+]1CCCC[C@@H]1CCNCc1ccc(C#N)cc1 ZINC000052205635 523793916 /nfs/dbraw/zinc/79/39/16/523793916.db2.gz KJVOIQUKGBPRFO-MRXNPFEDSA-N 1 0 257.381 2.522 10 30 CFEERO C[C@@H]1CCC[C@@](C[NH2+]CCCCC#N)(N(C)C)C1 ZINC000049578494 524339131 /nfs/dbraw/zinc/33/91/31/524339131.db2.gz KNRQDOPZLZXXSS-HUUCEWRRSA-N 1 0 251.418 2.780 10 30 CFEERO C[C@H](NC(=O)CC[C@@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000050944180 524936033 /nfs/dbraw/zinc/93/60/33/524936033.db2.gz XYGPIMLHWJOSSF-BBRMVZONSA-N 1 0 285.391 2.658 10 30 CFEERO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000216227047 525408908 /nfs/dbraw/zinc/40/89/08/525408908.db2.gz FMSXZXNBSLMPFJ-NXEZZACHSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@@H]([NH2+][C@@H](C)CN1CCCC1)c1ccc(C#N)cc1 ZINC000049149434 525597032 /nfs/dbraw/zinc/59/70/32/525597032.db2.gz UBQDXQXHMIQDJW-UONOGXRCSA-N 1 0 257.381 2.693 10 30 CFEERO N#Cc1cc(NC[C@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000164117480 526572158 /nfs/dbraw/zinc/57/21/58/526572158.db2.gz RYJBJWQVUZRAJI-VIFPVBQESA-N 1 0 269.270 2.598 10 30 CFEERO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000120565770 617730245 /nfs/dbraw/zinc/73/02/45/617730245.db2.gz RCIPHCAAAAXLRA-KGLIPLIRSA-N 1 0 286.419 2.773 10 30 CFEERO C[NH2+]C[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000061846966 618209533 /nfs/dbraw/zinc/20/95/33/618209533.db2.gz ZKJYBHFZVLOVQF-LLVKDONJSA-N 1 0 263.772 2.647 10 30 CFEERO N#Cc1sc(N[C@@H](C[NH3+])C2CCCC2)nc1Cl ZINC000236236503 618613289 /nfs/dbraw/zinc/61/32/89/618613289.db2.gz FPJVESINDNANEV-QMMMGPOBSA-N 1 0 270.789 2.598 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc(Cl)c(C#N)s1 ZINC000312083889 618875436 /nfs/dbraw/zinc/87/54/36/618875436.db2.gz VJPBJLNIZBOGQS-VHSXEESVSA-N 1 0 296.827 2.731 10 30 CFEERO C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000261593761 619173853 /nfs/dbraw/zinc/17/38/53/619173853.db2.gz ZHMMVDKCWIDCNE-JGVFFNPUSA-N 1 0 257.259 2.725 10 30 CFEERO CCC([NH3+])(CC)CNc1nc(Cl)c(C#N)s1 ZINC000232994171 619180344 /nfs/dbraw/zinc/18/03/44/619180344.db2.gz FHVBUCJJZMWBSD-UHFFFAOYSA-N 1 0 258.778 2.598 10 30 CFEERO C[NH+]=C(N[C@H](C)c1ccc(C)c(F)c1)NC1CCC1 ZINC000261957638 619351450 /nfs/dbraw/zinc/35/14/50/619351450.db2.gz JFYLBXSKZFBAMQ-LLVKDONJSA-N 1 0 263.360 2.913 10 30 CFEERO C=CC[NH+]1CCC(Nc2cncc3cccnc32)CC1 ZINC000223134708 622980631 /nfs/dbraw/zinc/98/06/31/622980631.db2.gz VRSIZWXPSYPRDD-UHFFFAOYSA-N 1 0 268.364 2.692 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1NCC[C@@H]1CC[NH2+]C1 ZINC000110798389 634808807 /nfs/dbraw/zinc/80/88/07/634808807.db2.gz MIQCVPZWAWWZCO-JTQLQIEISA-N 1 0 283.297 2.989 10 30 CFEERO CCCCCCCCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000118124473 637137785 /nfs/dbraw/zinc/13/77/85/637137785.db2.gz HHGZUULISVEUEY-UONOGXRCSA-N 1 0 254.418 2.994 10 30 CFEERO CCCCOc1ccc(C(=O)C[N+]2(C)CCOCC2)cc1 ZINC000206992392 717160878 /nfs/dbraw/zinc/16/08/78/717160878.db2.gz ZRZGBGMLHHEIRQ-UHFFFAOYSA-N 1 0 292.399 2.525 10 30 CFEERO Cc1nc(NCC2([NH3+])CCCC2)c(Cl)cc1C#N ZINC000594694378 349475792 /nfs/dbraw/zinc/47/57/92/349475792.db2.gz KWRGTGZAYZCGFB-UHFFFAOYSA-N 1 0 264.760 2.599 10 30 CFEERO CC[NH2+]CCCNc1cc(C#N)c2ccccc2n1 ZINC000068770763 346868915 /nfs/dbraw/zinc/86/89/15/346868915.db2.gz ZQDDHKFDYXTSKB-UHFFFAOYSA-N 1 0 254.337 2.518 10 30 CFEERO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000595482294 349639279 /nfs/dbraw/zinc/63/92/79/349639279.db2.gz MWJFYEUHOWSXMZ-RBSFLKMASA-N 1 0 250.386 2.864 10 30 CFEERO COc1ccccc1OCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000595692377 349704096 /nfs/dbraw/zinc/70/40/96/349704096.db2.gz NULMDOIHFUOARK-UONOGXRCSA-N 1 0 274.364 2.746 10 30 CFEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037321032 346328679 /nfs/dbraw/zinc/32/86/79/346328679.db2.gz YTUDDRAUYOYUEF-CABCVRRESA-N 1 0 261.365 2.645 10 30 CFEERO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C#N)cc1 ZINC000054823419 346577182 /nfs/dbraw/zinc/57/71/82/346577182.db2.gz BSELZMHFMWRLOE-GOEBONIOSA-N 1 0 258.365 2.910 10 30 CFEERO Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N+]1(C)C ZINC000077303093 347184564 /nfs/dbraw/zinc/18/45/64/347184564.db2.gz MJJYDEVWGIGYRZ-AWEZNQCLSA-O 1 0 261.389 2.871 10 30 CFEERO C=C(C)[C@H]([NH3+])c1ccccc1I ZINC000131419313 347878255 /nfs/dbraw/zinc/87/82/55/347878255.db2.gz YLXTUKNLAAQWNV-JTQLQIEISA-N 1 0 273.117 2.867 10 30 CFEERO C=CCCCN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000152296662 347968110 /nfs/dbraw/zinc/96/81/10/347968110.db2.gz VSPGCDYISROFSM-CQSZACIVSA-N 1 0 269.433 2.570 10 30 CFEERO CCCCCCCC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000157593471 348001843 /nfs/dbraw/zinc/00/18/43/348001843.db2.gz MBMLHDCJQFLICC-HNNXBMFYSA-N 1 0 254.418 2.947 10 30 CFEERO C#CC[C@H]([NH2+]C)c1csc(I)c1 ZINC000168574990 348049228 /nfs/dbraw/zinc/04/92/28/348049228.db2.gz DRYSDIKEYDOHSM-QMMMGPOBSA-N 1 0 291.157 2.637 10 30 CFEERO O/[N+](=C\c1ccncc1)Cc1cccc(Br)c1 ZINC000225442310 348177463 /nfs/dbraw/zinc/17/74/63/348177463.db2.gz PGCKPNGUALETCN-SXGWCWSVSA-N 1 0 292.156 2.865 10 30 CFEERO Cc1cc(C#N)ccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251494475 348291974 /nfs/dbraw/zinc/29/19/74/348291974.db2.gz DDBFENMZWJVGKW-KRWDZBQOSA-N 1 0 269.392 2.537 10 30 CFEERO CN(CCC[NH+](C)C)c1ccc(C#N)c(Cl)c1 ZINC000104187043 185920762 /nfs/dbraw/zinc/92/07/62/185920762.db2.gz BZGPGTWOJHIVLF-UHFFFAOYSA-N 1 0 251.761 2.600 10 30 CFEERO C#C[C@@]1(O)CC[C@](c2ccc(C)cc2)([NH+](C)C)CC1 ZINC000584601430 348685589 /nfs/dbraw/zinc/68/55/89/348685589.db2.gz PGQUSPINXHINCA-CALCHBBNSA-N 1 0 257.377 2.690 10 30 CFEERO C[Si](C)(C)C#C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000584635251 348698292 /nfs/dbraw/zinc/69/82/92/348698292.db2.gz PLIOYBXLRFOODY-INIZCTEOSA-N 1 0 273.452 2.504 10 30 CFEERO CCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1 ZINC000091594224 180201543 /nfs/dbraw/zinc/20/15/43/180201543.db2.gz CEJSGYVBKMGIKN-ZWKOTPCHSA-N 1 0 296.414 2.523 10 30 CFEERO Cc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1C#N ZINC000599295510 350408393 /nfs/dbraw/zinc/40/83/93/350408393.db2.gz NYTGMEQDHMZUOL-WMLDXEAASA-N 1 0 269.392 2.535 10 30 CFEERO CCn1cnnc1C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000105929551 186092438 /nfs/dbraw/zinc/09/24/38/186092438.db2.gz KQXZQKQBNXOOBF-UHFFFAOYSA-N 1 0 295.390 2.549 10 30 CFEERO N#Cc1ccc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000600952560 350635706 /nfs/dbraw/zinc/63/57/06/350635706.db2.gz ZPIARCQSANAYAA-YPMHNXCESA-N 1 0 283.297 2.522 10 30 CFEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(Br)cc1C#N ZINC000600951016 350636038 /nfs/dbraw/zinc/63/60/38/350636038.db2.gz DOYLZACSKGIXTQ-WCQYABFASA-N 1 0 294.196 2.873 10 30 CFEERO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000152874141 188049772 /nfs/dbraw/zinc/04/97/72/188049772.db2.gz WDYQGOIJXCXWKW-ZQIUZPCESA-N 1 0 273.376 2.917 10 30 CFEERO C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1[NH+](C)C ZINC000154093512 188122472 /nfs/dbraw/zinc/12/24/72/188122472.db2.gz JQOZMIRDYLBGFR-HZMBPMFUSA-N 1 0 297.324 2.963 10 30 CFEERO N#C[C@H]1[C@H]2CSC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000100559173 283070861 /nfs/dbraw/zinc/07/08/61/283070861.db2.gz MNHXONWSQPABFI-FICVDOATSA-N 1 0 258.390 2.621 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261608951 283092819 /nfs/dbraw/zinc/09/28/19/283092819.db2.gz DMPPKMSYLDVTTA-ZWNOBZJWSA-N 1 0 295.308 2.765 10 30 CFEERO N#Cc1cc(N2CCC[C@H]([NH3+])C2)ccc1C(F)(F)F ZINC000164070522 283103506 /nfs/dbraw/zinc/10/35/06/283103506.db2.gz NERPZKWSGGIQHW-JTQLQIEISA-N 1 0 269.270 2.505 10 30 CFEERO N#Cc1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000252868791 283171751 /nfs/dbraw/zinc/17/17/51/283171751.db2.gz RPWGHDMJOJVTEK-WHOFXGATSA-N 1 0 275.783 2.775 10 30 CFEERO C=CCC[C@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181552592 189300318 /nfs/dbraw/zinc/30/03/18/189300318.db2.gz CWZDIZZKARXJIW-GJZGRUSLSA-N 1 0 278.352 2.963 10 30 CFEERO COc1ccc([C@@H](CNc2ccc(C#N)nc2)[NH+](C)C)cc1 ZINC000301578243 201076944 /nfs/dbraw/zinc/07/69/44/201076944.db2.gz MZUSAHIQIWTQNL-QGZVFWFLSA-N 1 0 296.374 2.677 10 30 CFEERO CC1(C)CCC[NH2+][C@@H]1CNc1cccc(F)c1C#N ZINC000232890344 189818643 /nfs/dbraw/zinc/81/86/43/189818643.db2.gz CAEUPBQPMVFTJW-CQSZACIVSA-N 1 0 261.344 2.887 10 30 CFEERO Cc1cc(C)c(C#N)c(NC[C@@H]2[NH2+]CCCC2(C)C)n1 ZINC000235813975 189831111 /nfs/dbraw/zinc/83/11/11/189831111.db2.gz SNFFPMOVEIDEQX-AWEZNQCLSA-N 1 0 272.396 2.760 10 30 CFEERO CC[N@H+](CCCC#N)[C@@H]1CCc2c(O)cccc2C1 ZINC000027998019 372355077 /nfs/dbraw/zinc/35/50/77/372355077.db2.gz NRHGSOQJUHWVLC-CQSZACIVSA-N 1 0 258.365 2.875 10 30 CFEERO C[NH2+][C@@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000053204742 373471174 /nfs/dbraw/zinc/47/11/74/373471174.db2.gz KOILQONPLTYBJF-LLVKDONJSA-N 1 0 283.297 2.765 10 30 CFEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000066391668 373928265 /nfs/dbraw/zinc/92/82/65/373928265.db2.gz QDYSRIPRMRVFSJ-ZJUUUORDSA-N 1 0 284.762 2.820 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1 ZINC000083704522 374755461 /nfs/dbraw/zinc/75/54/61/374755461.db2.gz DGEKBMFWMWAILZ-WMLDXEAASA-N 1 0 269.392 2.617 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1cccc(F)c1C#N ZINC000083704236 374755596 /nfs/dbraw/zinc/75/55/96/374755596.db2.gz NSDRMWMFZZRLPX-CHWSQXEVSA-N 1 0 273.355 2.760 10 30 CFEERO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000089161259 374879231 /nfs/dbraw/zinc/87/92/31/374879231.db2.gz OLAHDVLOENDQRG-ZFWWWQNUSA-N 1 0 261.365 2.502 10 30 CFEERO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000091979496 375074523 /nfs/dbraw/zinc/07/45/23/375074523.db2.gz SZNJZIRONXVHPN-UONOGXRCSA-N 1 0 250.386 2.960 10 30 CFEERO Cc1nc(C[C@@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)no1 ZINC000092814388 375160657 /nfs/dbraw/zinc/16/06/57/375160657.db2.gz SIORQMPCZLYBFG-AWEZNQCLSA-N 1 0 290.411 2.963 10 30 CFEERO N#Cc1ccc(N2CCC(OCCC[NH3+])CC2)cc1Cl ZINC000094073083 375339622 /nfs/dbraw/zinc/33/96/22/375339622.db2.gz ZNSCGJCKXKVYJP-UHFFFAOYSA-N 1 0 293.798 2.546 10 30 CFEERO C[C@@H]1C[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113335591 376011603 /nfs/dbraw/zinc/01/16/03/376011603.db2.gz HZXSXOISPPWGAS-CZUORRHYSA-N 1 0 280.375 2.962 10 30 CFEERO COc1cc(C#N)ccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000120772592 376688891 /nfs/dbraw/zinc/68/88/91/376688891.db2.gz UVKYHIUXOFIGDC-UHFFFAOYSA-N 1 0 296.374 2.670 10 30 CFEERO Cn1cc([C@@H]2CCC[N@@H+]2CC(C)(C)CCC#N)cn1 ZINC000131976971 377786442 /nfs/dbraw/zinc/78/64/42/377786442.db2.gz IPCZKEMPQCZIBZ-AWEZNQCLSA-N 1 0 260.385 2.887 10 30 CFEERO N#Cc1cc(F)c(N2CCC([NH2+]CC3CC3)CC2)c(F)c1 ZINC000133705801 377950962 /nfs/dbraw/zinc/95/09/62/377950962.db2.gz UAGIWTFFMCJWDA-UHFFFAOYSA-N 1 0 291.345 2.805 10 30 CFEERO C[C@@H]1CCC[C@](CNc2ccc(C#N)nc2)([NH+](C)C)C1 ZINC000149373933 378264224 /nfs/dbraw/zinc/26/42/24/378264224.db2.gz CTKBGTDXQQZYTD-CJNGLKHVSA-N 1 0 272.396 2.876 10 30 CFEERO C#CCCCC[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000150739364 378270295 /nfs/dbraw/zinc/27/02/95/378270295.db2.gz OSTGGIDKJQGAPC-UHFFFAOYSA-N 1 0 270.380 2.905 10 30 CFEERO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000158104548 378664297 /nfs/dbraw/zinc/66/42/97/378664297.db2.gz RBJNKYNEMUUWDH-HUUCEWRRSA-N 1 0 264.413 2.709 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1C#N ZINC000175035893 379982834 /nfs/dbraw/zinc/98/28/34/379982834.db2.gz ZNCMDIJQCNHHMI-IAGOWNOFSA-N 1 0 269.392 2.617 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1C#N ZINC000175035907 379982614 /nfs/dbraw/zinc/98/26/14/379982614.db2.gz ZNCMDIJQCNHHMI-DLBZAZTESA-N 1 0 269.392 2.617 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1 ZINC000175051852 379986780 /nfs/dbraw/zinc/98/67/80/379986780.db2.gz WQWWRWBCMOBQDX-IAGOWNOFSA-N 1 0 269.392 2.617 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ncc(C#N)cc1Cl ZINC000175168238 380011684 /nfs/dbraw/zinc/01/16/84/380011684.db2.gz XJHLHZGSLMNDPH-LBPRGKRZSA-N 1 0 278.787 2.527 10 30 CFEERO CC[N@@H+]1CCC[C@@H](Nc2nc(C)c(C#N)cc2Cl)C1 ZINC000336812842 380673166 /nfs/dbraw/zinc/67/31/66/380673166.db2.gz BBOVJXNJRHFCDP-GFCCVEGCSA-N 1 0 278.787 2.811 10 30 CFEERO C#C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368593332 381077018 /nfs/dbraw/zinc/07/70/18/381077018.db2.gz ONQZSWULVIGUDB-MIGBEJBISA-N 1 0 268.404 2.793 10 30 CFEERO C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000307606903 382468289 /nfs/dbraw/zinc/46/82/89/382468289.db2.gz DRBDPRYXRLYAOQ-ZJUUUORDSA-N 1 0 262.781 2.630 10 30 CFEERO C[C@@H]([NH3+])C[C@H](C)Nc1c(C#N)cnc2ccccc21 ZINC000320709049 382538697 /nfs/dbraw/zinc/53/86/97/382538697.db2.gz UAIPSEPUELKPNF-MNOVXSKESA-N 1 0 254.337 2.644 10 30 CFEERO C=CCC[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000189111536 382546671 /nfs/dbraw/zinc/54/66/71/382546671.db2.gz PURJBRWZYWVKMF-DLBZAZTESA-N 1 0 286.419 2.899 10 30 CFEERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000389735471 382616520 /nfs/dbraw/zinc/61/65/20/382616520.db2.gz UJNMJSVTKUWODY-RNCFNFMXSA-N 1 0 283.297 2.987 10 30 CFEERO C=CCC[C@H](O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189914710 382645042 /nfs/dbraw/zinc/64/50/42/382645042.db2.gz VVDWXBRXRKDZFX-PBHICJAKSA-N 1 0 285.391 2.850 10 30 CFEERO C=C(C)C(=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000575243096 382732500 /nfs/dbraw/zinc/73/25/00/382732500.db2.gz QAXSMIYHRVPOEL-UHFFFAOYSA-N 1 0 259.349 2.920 10 30 CFEERO FC(F)(F)C(F)([C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000575433847 382770837 /nfs/dbraw/zinc/77/08/37/382770837.db2.gz OZDXIUBGIHDEDM-RXMQYKEDSA-N 1 0 253.161 2.819 10 30 CFEERO N#Cc1cccc(OCC[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000217347534 382785704 /nfs/dbraw/zinc/78/57/04/382785704.db2.gz ZBVVWYFNWFEBFC-SJORKVTESA-N 1 0 286.375 2.580 10 30 CFEERO CCc1nnc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)n1C ZINC000195084677 382761522 /nfs/dbraw/zinc/76/15/22/382761522.db2.gz VLEGVBMFCXJQHM-ZDUSSCGKSA-N 1 0 297.406 2.832 10 30 CFEERO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245545240 383005336 /nfs/dbraw/zinc/00/53/36/383005336.db2.gz SZNJZIRONXVHPN-ZIAGYGMSSA-N 1 0 250.386 2.960 10 30 CFEERO CC#CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000248387271 383232320 /nfs/dbraw/zinc/23/23/20/383232320.db2.gz ASYBRKVGKQNXPP-IAGOWNOFSA-N 1 0 257.377 2.988 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc(C#N)ccc1F ZINC000252660827 383424403 /nfs/dbraw/zinc/42/44/03/383424403.db2.gz DZSZYMCKLXWQCM-BBRMVZONSA-N 1 0 287.382 2.756 10 30 CFEERO C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H]1[NH+](C)C ZINC000252924835 383440375 /nfs/dbraw/zinc/44/03/75/383440375.db2.gz LTVNMFXZRARIHQ-IAQYHMDHSA-N 1 0 277.799 2.594 10 30 CFEERO N#Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc2ccccc12 ZINC000262381186 383618452 /nfs/dbraw/zinc/61/84/52/383618452.db2.gz YTLVIVCQPWMUGE-MAZHCROVSA-N 1 0 292.386 2.670 10 30 CFEERO C=CCCC(C)(C)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000638874657 385007312 /nfs/dbraw/zinc/00/73/12/385007312.db2.gz JHPWAJLDERRUSK-HNNXBMFYSA-N 1 0 252.402 2.627 10 30 CFEERO N#Cc1ccc[n+](Cc2cccc(C(F)(F)F)c2)c1 ZINC000000152621 393447499 /nfs/dbraw/zinc/44/74/99/393447499.db2.gz VRNAXIGELPZAQR-UHFFFAOYSA-N 1 0 263.242 2.913 10 30 CFEERO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(Cl)s1 ZINC000183007924 393515037 /nfs/dbraw/zinc/51/50/37/393515037.db2.gz SLQKODVAJCGYHJ-JTQLQIEISA-N 1 0 299.827 2.814 10 30 CFEERO C[C@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1[NH+](C)C ZINC000251634844 393933131 /nfs/dbraw/zinc/93/31/31/393933131.db2.gz FPOJHURMAJIHAE-IINYFYTJSA-N 1 0 263.772 2.598 10 30 CFEERO C[C@@H](C[NH3+])CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000420223167 394098439 /nfs/dbraw/zinc/09/84/39/394098439.db2.gz ZJQPMDBAKXATEF-QMMMGPOBSA-N 1 0 257.259 2.584 10 30 CFEERO COCC#CC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000381740613 543090637 /nfs/dbraw/zinc/09/06/37/543090637.db2.gz OWOUDORLDCQLRH-NSHDSACASA-N 1 0 282.181 2.750 10 30 CFEERO C=CCOc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000037988706 397551221 /nfs/dbraw/zinc/55/12/21/397551221.db2.gz LICLLZWWAOBDMR-HNNXBMFYSA-N 1 0 261.365 2.910 10 30 CFEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C)n1CC ZINC000661114846 413765467 /nfs/dbraw/zinc/76/54/67/413765467.db2.gz NHCLCFLSIJWEJL-KBPBESRZSA-N 1 0 262.401 2.831 10 30 CFEERO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C)n1CC ZINC000661114848 413767070 /nfs/dbraw/zinc/76/70/70/413767070.db2.gz NHCLCFLSIJWEJL-UONOGXRCSA-N 1 0 262.401 2.831 10 30 CFEERO C#CCN1CCC([NH2+]C[C@H](CC)CCCC)CC1 ZINC000037219530 173036928 /nfs/dbraw/zinc/03/69/28/173036928.db2.gz OYIGFPYKHAMZCK-OAHLLOKOSA-N 1 0 250.430 2.890 10 30 CFEERO C=C(Br)COc1ccc(C[NH2+]C)cc1OC ZINC000037704261 173626357 /nfs/dbraw/zinc/62/63/57/173626357.db2.gz XHIKNKZOXWFDNP-UHFFFAOYSA-N 1 0 286.169 2.702 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000659330867 414500952 /nfs/dbraw/zinc/50/09/52/414500952.db2.gz BTUWGICFYCDGLI-XGUBFFRZSA-N 1 0 264.413 2.626 10 30 CFEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000037978087 173935401 /nfs/dbraw/zinc/93/54/01/173935401.db2.gz GDXXGUUOHNSLPH-QWHCGFSZSA-N 1 0 260.381 2.590 10 30 CFEERO C[NH+](C)CCOc1ccc(C(F)(F)F)cc1C#N ZINC000040239864 174213093 /nfs/dbraw/zinc/21/30/93/174213093.db2.gz XZRODJXVHNVONX-UHFFFAOYSA-N 1 0 258.243 2.517 10 30 CFEERO C[C@H]1CCC[C@@](CNc2cc(C#N)ccn2)([NH+](C)C)C1 ZINC000040670209 174368360 /nfs/dbraw/zinc/36/83/60/174368360.db2.gz HCBYJXGQHXZKOE-XJKSGUPXSA-N 1 0 272.396 2.876 10 30 CFEERO C[C@H]1CC[N@H+](CCCC(=O)Nc2ccccc2C#N)C1 ZINC000040718171 174384865 /nfs/dbraw/zinc/38/48/65/174384865.db2.gz AIQVQKNYRYCZER-ZDUSSCGKSA-N 1 0 271.364 2.619 10 30 CFEERO C=C(Br)CN(CCC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748690 174393676 /nfs/dbraw/zinc/39/36/76/174393676.db2.gz KQTGLWNSEUBKPS-FUNVUKJBSA-N 1 0 287.245 2.890 10 30 CFEERO C=C(C)COc1cc2c(cc1C[NH2+]C(C)C)OCO2 ZINC000042874852 174899732 /nfs/dbraw/zinc/89/97/32/174899732.db2.gz IXJCLKMKNAUDMM-UHFFFAOYSA-N 1 0 263.337 2.868 10 30 CFEERO Cc1ccc([C@@H]([C@H](C)[NH3+])N(CCC#N)C2CC2)cc1 ZINC000042909750 174909628 /nfs/dbraw/zinc/90/96/28/174909628.db2.gz HQXILMJWKWVIMN-XJKSGUPXSA-N 1 0 257.381 2.761 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](c1cccc(C)c1)N(C)C[C@@H](C)C#N ZINC000042967492 174931732 /nfs/dbraw/zinc/93/17/32/174931732.db2.gz UDWFXLRQSYADDH-NUEKZKHPSA-N 1 0 259.397 2.865 10 30 CFEERO CC(C)N(CCC#N)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042972975 174936813 /nfs/dbraw/zinc/93/68/13/174936813.db2.gz FMILEZMPWVCFLD-IUODEOHRSA-N 1 0 263.360 2.838 10 30 CFEERO COc1cc(C#N)ccc1O[C@H]([C@@H](C)[NH3+])C(C)(C)C ZINC000043295375 174998974 /nfs/dbraw/zinc/99/89/74/174998974.db2.gz JMWVOHJSMKSSTL-QMTHXVAHSA-N 1 0 262.353 2.708 10 30 CFEERO C=CCNC(=O)[C@H](C)Oc1ccc(C[NH2+]CC)cc1Cl ZINC000043478910 175055398 /nfs/dbraw/zinc/05/53/98/175055398.db2.gz KZKXYIPIRSFVPS-NSHDSACASA-N 1 0 296.798 2.519 10 30 CFEERO CC[NH2+]Cc1cccc(Br)c1O[C@H](C)C#N ZINC000043513833 175061727 /nfs/dbraw/zinc/06/17/27/175061727.db2.gz ZTUCUNYKBWKJQA-SECBINFHSA-N 1 0 283.169 2.849 10 30 CFEERO CCOc1cc(C[NH2+]C(C)C)ccc1O[C@@H](C)C#N ZINC000043513465 175061755 /nfs/dbraw/zinc/06/17/55/175061755.db2.gz WQODXEBYTXESKQ-LBPRGKRZSA-N 1 0 262.353 2.874 10 30 CFEERO C[NH2+][C@@H]1CC(C)(C)Oc2cc(O[C@H](C)C#N)ccc21 ZINC000043513899 175061756 /nfs/dbraw/zinc/06/17/56/175061756.db2.gz OMXYZRHVYCNHGO-ZWNOBZJWSA-N 1 0 260.337 2.799 10 30 CFEERO CCC[NH2+]Cc1cc(OC)ccc1O[C@H](C#N)CC ZINC000043538668 175063698 /nfs/dbraw/zinc/06/36/98/175063698.db2.gz OFNDAXZQURTGBS-ZDUSSCGKSA-N 1 0 262.353 2.876 10 30 CFEERO CCC[NH2+]Cc1ccc(OC)c(O[C@@H](C#N)CC)c1 ZINC000043538779 175063870 /nfs/dbraw/zinc/06/38/70/175063870.db2.gz NBZLWZRHOBKDAU-CYBMUJFWSA-N 1 0 262.353 2.876 10 30 CFEERO CCOc1cc(C[C@H](C)[NH3+])ccc1O[C@H](C#N)CC ZINC000043543586 175064140 /nfs/dbraw/zinc/06/41/40/175064140.db2.gz WBUUGAIDVWLWOZ-AAEUAGOBSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@@H](C#N)Oc1c(Br)cccc1CC[NH3+] ZINC000043543666 175064251 /nfs/dbraw/zinc/06/42/51/175064251.db2.gz KYNGVEZMNMHIMU-JTQLQIEISA-N 1 0 283.169 2.631 10 30 CFEERO CC[C@@H](C#N)Oc1ccc(C[C@@H](C)[NH3+])cc1Cl ZINC000043543688 175064278 /nfs/dbraw/zinc/06/42/78/175064278.db2.gz QXNAXRSLUYSYBO-KOLCDFICSA-N 1 0 252.745 2.911 10 30 CFEERO CC[C@@H](C#N)Oc1c(Cl)cc(CC[NH3+])cc1OC ZINC000043543472 175064350 /nfs/dbraw/zinc/06/43/50/175064350.db2.gz WLUPNYKRHKQSMA-JTQLQIEISA-N 1 0 268.744 2.531 10 30 CFEERO CC[N@H+](Cc1ccc(C#CCO)s1)Cc1ccncc1 ZINC000043678231 175088908 /nfs/dbraw/zinc/08/89/08/175088908.db2.gz RXXFFJATAJKHER-UHFFFAOYSA-N 1 0 286.400 2.509 10 30 CFEERO C[C@@H]1CCC[N@H+](Cc2ccc(C#CCCO)s2)C1 ZINC000043678888 175089481 /nfs/dbraw/zinc/08/94/81/175089481.db2.gz WGMMWNCKBHAPHM-CYBMUJFWSA-N 1 0 263.406 2.714 10 30 CFEERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C#CCO)s2)C1 ZINC000043679186 175089900 /nfs/dbraw/zinc/08/99/00/175089900.db2.gz FGXZXDIEUHIQDB-BETUJISGSA-N 1 0 263.406 2.570 10 30 CFEERO CC[C@@H]1CCCC[N@@H+]1Cc1sccc1C#CCO ZINC000043679432 175090093 /nfs/dbraw/zinc/09/00/93/175090093.db2.gz WYYSBZDPHAKHBQ-CQSZACIVSA-N 1 0 263.406 2.856 10 30 CFEERO CC(C)[C@H](C)[N@H+](C)Cc1sccc1C#CCO ZINC000043679730 175090202 /nfs/dbraw/zinc/09/02/02/175090202.db2.gz OGAFJNNIWNREGC-LBPRGKRZSA-N 1 0 251.395 2.568 10 30 CFEERO CC[C@@H](C)[N@H+](CC)Cc1ccc(C#CCO)s1 ZINC000043679452 175090570 /nfs/dbraw/zinc/09/05/70/175090570.db2.gz HAMCUGLLSJAXPF-GFCCVEGCSA-N 1 0 251.395 2.712 10 30 CFEERO C[C@@H]([N@H+](C)Cc1ccc(C#CCO)s1)C(C)(C)C ZINC000043682087 175091002 /nfs/dbraw/zinc/09/10/02/175091002.db2.gz JNMKDVLDOHJVMC-GFCCVEGCSA-N 1 0 265.422 2.958 10 30 CFEERO CC(C)[N@@H+](Cc1sccc1C#CCO)CC1CC1 ZINC000043681996 175091101 /nfs/dbraw/zinc/09/11/01/175091101.db2.gz GEZWFSJOQBCBEG-UHFFFAOYSA-N 1 0 263.406 2.712 10 30 CFEERO Cc1ccc(CN(C)Cc2ccc(C#CC[NH3+])s2)o1 ZINC000043683679 175092167 /nfs/dbraw/zinc/09/21/67/175092167.db2.gz SZJBEBUWBFAGGQ-UHFFFAOYSA-N 1 0 274.389 2.592 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2cccc([N+](=O)[O-])c2)s1 ZINC000043685369 175093676 /nfs/dbraw/zinc/09/36/76/175093676.db2.gz INQGQDQHFCFJRD-UHFFFAOYSA-N 1 0 288.328 2.546 10 30 CFEERO Cc1nc2ccccc2n1Cc1cc(C#CC[NH3+])cs1 ZINC000043689170 175096258 /nfs/dbraw/zinc/09/62/58/175096258.db2.gz DVKDJLPKUNGOOH-UHFFFAOYSA-N 1 0 281.384 2.765 10 30 CFEERO N#Cc1cnc2ccccc2c1NCC1CC[NH2+]CC1 ZINC000044509273 175187075 /nfs/dbraw/zinc/18/70/75/175187075.db2.gz KJSPDKZAYPKKGJ-UHFFFAOYSA-N 1 0 266.348 2.518 10 30 CFEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCCN2C)cc1 ZINC000044561578 175205271 /nfs/dbraw/zinc/20/52/71/175205271.db2.gz VJNYMPCPJVIVPZ-INIZCTEOSA-N 1 0 274.408 2.825 10 30 CFEERO CC1([NH2+]C[C@@H](O)COc2cccc(C#N)c2)CCCCC1 ZINC000045045173 175296368 /nfs/dbraw/zinc/29/63/68/175296368.db2.gz WEMLHPQVFNXIKJ-OAHLLOKOSA-N 1 0 288.391 2.610 10 30 CFEERO C#CCOc1ccc(C[NH2+]CC(C)C)cc1OCC ZINC000045945775 175387692 /nfs/dbraw/zinc/38/76/92/175387692.db2.gz DWMXEYNLWDWPCL-UHFFFAOYSA-N 1 0 261.365 2.843 10 30 CFEERO C#CC[NH2+]Cc1cc(Cl)c(OCC)c(OCC)c1 ZINC000045945308 175387744 /nfs/dbraw/zinc/38/77/44/175387744.db2.gz ZJYHBMYTXGKBHU-UHFFFAOYSA-N 1 0 267.756 2.860 10 30 CFEERO C=CCOc1ccccc1CN[C@@H](C)C[NH+]1CCCC1 ZINC000048567523 175437630 /nfs/dbraw/zinc/43/76/30/175437630.db2.gz NQSKTHMHEOKXLE-HNNXBMFYSA-N 1 0 274.408 2.825 10 30 CFEERO CCC(CC)C(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586772 175489730 /nfs/dbraw/zinc/48/97/30/175489730.db2.gz SDZTWNSVFACGOP-CYBMUJFWSA-N 1 0 272.392 2.610 10 30 CFEERO C[C@H](NC(=O)c1cccs1)c1cccc(C#CC[NH3+])c1 ZINC000049587167 175490167 /nfs/dbraw/zinc/49/01/67/175490167.db2.gz FVNBLGVHNRCZGT-LBPRGKRZSA-N 1 0 284.384 2.549 10 30 CFEERO COc1ccc(COc2ccc(F)cc2)cc1C#CC[NH3+] ZINC000049610517 175492561 /nfs/dbraw/zinc/49/25/61/175492561.db2.gz UJTKTUHMVYEQEN-UHFFFAOYSA-N 1 0 285.318 2.724 10 30 CFEERO Cc1ccccc1OCc1ccc(C#CC[NH3+])cc1 ZINC000049610505 175492709 /nfs/dbraw/zinc/49/27/09/175492709.db2.gz GNHYWOFXFFMNJC-UHFFFAOYSA-N 1 0 251.329 2.884 10 30 CFEERO COc1ccc(C[NH3+])cc1OCC#Cc1ccccc1 ZINC000051813876 175525490 /nfs/dbraw/zinc/52/54/90/175525490.db2.gz FWFVZQMAQRPYPQ-UHFFFAOYSA-N 1 0 267.328 2.584 10 30 CFEERO C=C(Br)CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190426 175684100 /nfs/dbraw/zinc/68/41/00/175684100.db2.gz GUZRLEIOPSFKHF-NWDGAFQWSA-N 1 0 273.218 2.502 10 30 CFEERO CCC[NH2+]CCNc1cc(C#N)c2ccccc2n1 ZINC000068771020 175814721 /nfs/dbraw/zinc/81/47/21/175814721.db2.gz CSMHUJGGDJBNNP-UHFFFAOYSA-N 1 0 254.337 2.518 10 30 CFEERO C[NH2+]C[C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000071148223 176043867 /nfs/dbraw/zinc/04/38/67/176043867.db2.gz MGSRQORWPFBFSP-JTQLQIEISA-N 1 0 283.297 2.623 10 30 CFEERO CCCN(c1cccc(Cl)c1C#N)[C@@H]1CC[NH2+]C1 ZINC000071332572 176125704 /nfs/dbraw/zinc/12/57/04/176125704.db2.gz KGPIMDZMXDWDPJ-LLVKDONJSA-N 1 0 263.772 2.790 10 30 CFEERO CCC[C@@H](CC[NH3+])CCC(=O)NCc1ccc(C#N)cc1 ZINC000079237916 177453148 /nfs/dbraw/zinc/45/31/48/177453148.db2.gz JUBPZQXAJXDOAU-CQSZACIVSA-N 1 0 287.407 2.720 10 30 CFEERO Cc1ncoc1C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000330109602 228042015 /nfs/dbraw/zinc/04/20/15/228042015.db2.gz PKDKWDNATPKVOQ-LLVKDONJSA-N 1 0 265.357 2.552 10 30 CFEERO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000061891429 262405769 /nfs/dbraw/zinc/40/57/69/262405769.db2.gz STLODHISJGSJCT-XPKDYRNWSA-N 1 0 258.365 2.995 10 30 CFEERO C=C(C)CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121059048 263289637 /nfs/dbraw/zinc/28/96/37/263289637.db2.gz ZFDLEMNQKBJTPR-BXUZGUMPSA-N 1 0 253.292 2.649 10 30 CFEERO C[C@@H]1C[C@@H]1NC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160676545 264254934 /nfs/dbraw/zinc/25/49/34/264254934.db2.gz JAZDDSCWYWINNU-APPZFPTMSA-N 1 0 273.258 2.720 10 30 CFEERO C[NH+]=C(NCC1CC1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000128924429 264309355 /nfs/dbraw/zinc/30/93/55/264309355.db2.gz OJZNGGKIWHQCQO-GXFFZTMASA-N 1 0 295.789 2.910 10 30 CFEERO Cc1cc(N[C@@H](C[NH3+])C2CCCCC2)cc(C#N)n1 ZINC000308245301 267349717 /nfs/dbraw/zinc/34/97/17/267349717.db2.gz RJKJIIAHNMSDDE-HNNXBMFYSA-N 1 0 258.369 2.581 10 30 CFEERO C[C@@H]1CCCN(c2cc(C#N)c3ccccc3n2)[C@@H]1C[NH3+] ZINC000070178583 274291694 /nfs/dbraw/zinc/29/16/94/274291694.db2.gz HWFRVKGPAGSOOI-MLGOLLRUSA-N 1 0 280.375 2.670 10 30 CFEERO C[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@@H]1[NH+](C)C ZINC000123997078 274363610 /nfs/dbraw/zinc/36/36/10/274363610.db2.gz SSGPOYSYNJNXEP-YGRLFVJLSA-N 1 0 263.772 2.598 10 30 CFEERO C[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@@H]1[NH+](C)C ZINC000124038117 274365257 /nfs/dbraw/zinc/36/52/57/274365257.db2.gz YVAABUHRFYTQEI-YGRLFVJLSA-N 1 0 263.772 2.598 10 30 CFEERO C[C@H](CCC[NH3+])Nc1c(C#N)cnc2ccccc21 ZINC000311858518 274475860 /nfs/dbraw/zinc/47/58/60/274475860.db2.gz JTCXFRDDZCIORJ-LLVKDONJSA-N 1 0 254.337 2.646 10 30 CFEERO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000132453729 274504366 /nfs/dbraw/zinc/50/43/66/274504366.db2.gz RPKRJTRBWMDHOL-GXSJLCMTSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000253182823 274562788 /nfs/dbraw/zinc/56/27/88/274562788.db2.gz GECVXGOXLXJOFL-CMPLNLGQSA-N 1 0 297.324 2.998 10 30 CFEERO C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@H]1[NH+](C)C ZINC000251649676 274593222 /nfs/dbraw/zinc/59/32/22/274593222.db2.gz GHYDZDUGFMKMMJ-IINYFYTJSA-N 1 0 297.324 2.963 10 30 CFEERO N#Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F ZINC000261812870 274920752 /nfs/dbraw/zinc/92/07/52/274920752.db2.gz ZUZMLKKSRVSHRN-DUFXMDAXSA-N 1 0 295.308 2.751 10 30 CFEERO C[C@@H]([NH3+])c1nc(C2CC2)ncc1-c1ccc(C#N)cc1 ZINC000090567202 278319344 /nfs/dbraw/zinc/31/93/44/278319344.db2.gz NBRFXEGGFJVEFI-SNVBAGLBSA-N 1 0 264.332 2.912 10 30 CFEERO C[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H]1C[NH3+] ZINC000094337494 279672520 /nfs/dbraw/zinc/67/25/20/279672520.db2.gz UMTBGLWSHFPVHO-GXSJLCMTSA-N 1 0 298.312 2.536 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C#N)cs1 ZINC000248393623 281020770 /nfs/dbraw/zinc/02/07/70/281020770.db2.gz GWWMWOGLQPJNCY-KGLIPLIRSA-N 1 0 275.421 2.678 10 30 CFEERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc(C(F)(F)F)cc1C#N ZINC000261624356 289041171 /nfs/dbraw/zinc/04/11/71/289041171.db2.gz VDGYQCBYMDBHFM-LDYMZIIASA-N 1 0 269.270 2.503 10 30 CFEERO N#Cc1ccc(N2CCCC[C@@H]2C[NH3+])c(Br)c1 ZINC000214306098 294921334 /nfs/dbraw/zinc/92/13/34/294921334.db2.gz YTPOHNDBGAWNBI-LLVKDONJSA-N 1 0 294.196 2.638 10 30 CFEERO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(-n2ccnc2)c1 ZINC000189893634 327868722 /nfs/dbraw/zinc/86/87/22/327868722.db2.gz DDETZEUOSBLQLS-HUUCEWRRSA-N 1 0 293.374 2.966 10 30 CFEERO C[C@@H]([NH2+]C[C@H](C)C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551195 328306853 /nfs/dbraw/zinc/30/68/53/328306853.db2.gz GCZPHLIPVZLCOU-MGPQQGTHSA-N 1 0 295.427 2.771 10 30 CFEERO C=CC[C@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000186408506 329342190 /nfs/dbraw/zinc/34/21/90/329342190.db2.gz PCPYWFZZUJLQLU-IHRRRGAJSA-N 1 0 253.386 2.515 10 30 CFEERO C=CCOc1cccc(CN2CCC[C@@]2(C)C(=O)OC)c1 ZINC000189994494 329390055 /nfs/dbraw/zinc/39/00/55/329390055.db2.gz PBQGJPDYHJRXAL-KRWDZBQOSA-N 1 0 289.375 2.779 10 30 CFEERO C[NH+]=C(NCC1CCCC1)N(C)Cc1csc(C)n1 ZINC000261661509 329975480 /nfs/dbraw/zinc/97/54/80/329975480.db2.gz FXRDQOZHSRKDNF-UHFFFAOYSA-N 1 0 280.441 2.649 10 30 CFEERO CC[NH+]=C(NCCc1nc(C)c(C)s1)N[C@H]1CC1(C)C ZINC000261783842 329983468 /nfs/dbraw/zinc/98/34/68/329983468.db2.gz PPGNKUFBZRLOQZ-LBPRGKRZSA-N 1 0 294.468 2.656 10 30 CFEERO C[C@@H]1CCCN(C(=[NH2+])NC2CC(c3ccccc3)C2)C1 ZINC000261972307 329992807 /nfs/dbraw/zinc/99/28/07/329992807.db2.gz DRMRXAIYSWSVPI-IUDNXUCKSA-N 1 0 271.408 2.979 10 30 CFEERO CC[NH+]=C(NCC1CCSCC1)N[C@@H](C)C(C)C ZINC000262766201 330030202 /nfs/dbraw/zinc/03/02/02/330030202.db2.gz HGGOPIWENFPIEX-LBPRGKRZSA-N 1 0 271.474 2.729 10 30 CFEERO C[NH+]=C(NC1CCC1)NC1CCC(C(F)(F)F)CC1 ZINC000262811461 330033236 /nfs/dbraw/zinc/03/32/36/330033236.db2.gz VJPDGTITKLJTSK-UHFFFAOYSA-N 1 0 277.334 2.825 10 30 CFEERO CC(C)N(C)c1ccccc1C[NH+]=C(N(C)C)N(C)C ZINC000262814331 330033612 /nfs/dbraw/zinc/03/36/12/330033612.db2.gz VHSKXGBQIOOORF-UHFFFAOYSA-N 1 0 276.428 2.510 10 30 CFEERO CC[NH+]=C(NCCc1ccc(Cl)s1)N[C@@H]1C[C@H]1C ZINC000262862691 330035669 /nfs/dbraw/zinc/03/56/69/330035669.db2.gz ZPOOSNZBLBEZPY-MWLCHTKSSA-N 1 0 285.844 2.908 10 30 CFEERO C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)s1 ZINC000424099943 330232911 /nfs/dbraw/zinc/23/29/11/330232911.db2.gz NFVVMMQFFHWGNJ-RKDXNWHRSA-N 1 0 285.800 2.600 10 30 CFEERO C#CCOc1c(C[NH2+]Cc2ccccc2)cccc1OC ZINC000045945502 330350129 /nfs/dbraw/zinc/35/01/29/330350129.db2.gz VEWYTIYYNIZCJN-UHFFFAOYSA-N 1 0 281.355 2.997 10 30 CFEERO C#C[C@@H](CC)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000229896665 333311243 /nfs/dbraw/zinc/31/12/43/333311243.db2.gz NVFPJFGSUZNKHW-KBPBESRZSA-N 1 0 280.412 2.635 10 30 CFEERO C=CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000249560158 334336812 /nfs/dbraw/zinc/33/68/12/334336812.db2.gz LJHJGJHJAWAATA-IAGOWNOFSA-N 1 0 286.419 2.947 10 30 CFEERO CCCCCCCC(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000059082339 519964135 /nfs/dbraw/zinc/96/41/35/519964135.db2.gz JSUCPBYHUQVGQV-CQSZACIVSA-N 1 0 254.418 2.995 10 30 CFEERO CCCCC[C@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000049105935 520308178 /nfs/dbraw/zinc/30/81/78/520308178.db2.gz ZEDPINBIOIKRFS-AWEZNQCLSA-N 1 0 272.392 2.695 10 30 CFEERO CC[C@@H](C)[NH+]1CCN(c2cc(C)ccc2C#N)CC1 ZINC000055079970 522133291 /nfs/dbraw/zinc/13/32/91/522133291.db2.gz GIWXDEQYQKWVSL-CQSZACIVSA-N 1 0 257.381 2.787 10 30 CFEERO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1N ZINC000069399762 523296333 /nfs/dbraw/zinc/29/63/33/523296333.db2.gz JPOSCUZQCKGZTB-UHFFFAOYSA-N 1 0 269.323 2.912 10 30 CFEERO C[NH+]1CCC(CN[C@@H](CC#N)c2ccccc2)CC1 ZINC000055018566 523765670 /nfs/dbraw/zinc/76/56/70/523765670.db2.gz BKXAGDBNDHQFPG-INIZCTEOSA-N 1 0 257.381 2.573 10 30 CFEERO CC[C@H](C)[NH+]1CCN([C@H]2CCCCC[C@@H]2C#N)CC1 ZINC000055066476 523959319 /nfs/dbraw/zinc/95/93/19/523959319.db2.gz YVKWSSDXMYMZJT-XHSDSOJGSA-N 1 0 263.429 2.875 10 30 CFEERO C[NH+](C)CCCCNc1ccc(C#N)cc1Cl ZINC000062791154 524053009 /nfs/dbraw/zinc/05/30/09/524053009.db2.gz SDELIPHQBGYASB-UHFFFAOYSA-N 1 0 251.761 2.965 10 30 CFEERO C[C@H](C[NH+]1CCCC1)N[C@@H](CC#N)c1ccccc1 ZINC000055017975 524318279 /nfs/dbraw/zinc/31/82/79/524318279.db2.gz SHTGIPVEMRLSHK-ZBFHGGJFSA-N 1 0 257.381 2.715 10 30 CFEERO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC2)cc1Br ZINC000062702232 526238443 /nfs/dbraw/zinc/23/84/43/526238443.db2.gz DOWWUAPZBKJUIK-VIFPVBQESA-N 1 0 295.180 2.992 10 30 CFEERO C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CCCC[C@@H]1C#N ZINC000054823664 526249551 /nfs/dbraw/zinc/24/95/51/526249551.db2.gz LRXBNMIULFKZRW-ARFHVFGLSA-N 1 0 263.429 2.923 10 30 CFEERO N#Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000054306744 526566848 /nfs/dbraw/zinc/56/68/48/526566848.db2.gz RUUBHNQQNQDWFE-JTQLQIEISA-N 1 0 277.755 2.540 10 30 CFEERO C#CCC[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000070197472 617975927 /nfs/dbraw/zinc/97/59/27/617975927.db2.gz HXKQXUJMHIXVMT-UHFFFAOYSA-N 1 0 253.349 2.602 10 30 CFEERO Cc1nc(NC[C@]2(C)CCC[NH2+]C2)c(Cl)cc1C#N ZINC000261595496 618110684 /nfs/dbraw/zinc/11/06/84/618110684.db2.gz OBRXXVUOVIHTBC-CQSZACIVSA-N 1 0 278.787 2.717 10 30 CFEERO Cc1nc(N[C@@H](C[NH3+])C2CCCCC2)ccc1C#N ZINC000261576137 619172220 /nfs/dbraw/zinc/17/22/20/619172220.db2.gz BXAQJBHKRKCZBZ-AWEZNQCLSA-N 1 0 258.369 2.581 10 30 CFEERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000261619165 619178791 /nfs/dbraw/zinc/17/87/91/619178791.db2.gz ULNJLIOVRKVSPG-PRHODGIISA-N 1 0 269.270 2.503 10 30 CFEERO CC(C)[C@H]([NH3+])CNc1nc2ccccc2cc1C#N ZINC000071386212 625510767 /nfs/dbraw/zinc/51/07/67/625510767.db2.gz IJPRJDDQDOACKK-CYBMUJFWSA-N 1 0 254.337 2.502 10 30 CFEERO C[C@@H]1CCN(c2nc3ccccc3cc2C#N)C[C@@H]1C[NH3+] ZINC000163952121 622932052 /nfs/dbraw/zinc/93/20/52/622932052.db2.gz ASJVCVLFAQXNCO-DOMZBBRYSA-N 1 0 280.375 2.528 10 30 CFEERO CCCCCCCCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000115061904 635964432 /nfs/dbraw/zinc/96/44/32/635964432.db2.gz SWSDDHKCWSWSKK-UONOGXRCSA-N 1 0 254.418 2.981 10 30 CFEERO CCCCCCCCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000115061899 635963848 /nfs/dbraw/zinc/96/38/48/635963848.db2.gz SWSDDHKCWSWSKK-ZIAGYGMSSA-N 1 0 254.418 2.981 10 30 CFEERO C#CCOc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000091979108 650913132 /nfs/dbraw/zinc/91/31/32/650913132.db2.gz RYPYKSSFFPBZTE-ROUUACIJSA-N 1 0 285.387 2.842 10 30 CFEERO C[N+]1(CC(=O)NC23CC4CC(CC(C4)C2)C3)CCCCC1 ZINC000005764736 717102148 /nfs/dbraw/zinc/10/21/48/717102148.db2.gz AMJDLPRKRQAXTJ-UHFFFAOYSA-O 1 0 291.459 2.702 10 30 CFEERO CN(Cc1ccc(F)cc1)C(=O)C[N+](C)(C)C1CCCC1 ZINC000073713038 717134684 /nfs/dbraw/zinc/13/46/84/717134684.db2.gz QKMMXMKDNKYYGR-UHFFFAOYSA-N 1 0 293.406 2.803 10 30 CFEERO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N+](C)(C)C1CCCC1 ZINC000128730569 717150705 /nfs/dbraw/zinc/15/07/05/717150705.db2.gz AUVYGLRIIMMWFF-ZIAGYGMSSA-N 1 0 267.437 2.795 10 30 CFEERO CN(C(=O)C[N+](C)(C)C1CCCC1)C1CCCCC1 ZINC000128729590 717150847 /nfs/dbraw/zinc/15/08/47/717150847.db2.gz NLPRTOCGKDBRGG-UHFFFAOYSA-N 1 0 267.437 2.797 10 30 CFEERO CCCCCCCCc1ccc(C[C@@H](O)[C@@H]([NH3+])CO)cc1 ZINC000096929392 185132354 /nfs/dbraw/zinc/13/23/54/185132354.db2.gz WHQSCCXOZWMIQW-ZWKOTPCHSA-N 1 0 293.451 2.813 10 30 CFEERO C[NH2+]C[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000596031215 349778473 /nfs/dbraw/zinc/77/84/73/349778473.db2.gz CJTRKODIZWZYHO-MRVPVSSYSA-N 1 0 257.259 2.597 10 30 CFEERO N#Cc1cc(N[C@@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000127875218 187338523 /nfs/dbraw/zinc/33/85/23/187338523.db2.gz NZQNIJVBCBNAHN-AWEZNQCLSA-N 1 0 288.351 2.786 10 30 CFEERO CCCCC/C(=N/OCC[NH3+])c1ccc(C)c(N)c1 ZINC000004215179 346209419 /nfs/dbraw/zinc/20/94/19/346209419.db2.gz ZIWQJHATUBOOFD-SDXDJHTJSA-N 1 0 263.385 2.837 10 30 in-man CFEERO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C#N)cc1 ZINC000054823418 346577386 /nfs/dbraw/zinc/57/73/86/346577386.db2.gz BSELZMHFMWRLOE-ZBFHGGJFSA-N 1 0 258.365 2.910 10 30 CFEERO CC[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC[C@@H]1[NH3+] ZINC000123027952 347817959 /nfs/dbraw/zinc/81/79/59/347817959.db2.gz KVBVKGRDGWNFAC-ONGXEEELSA-N 1 0 298.312 2.536 10 30 CFEERO C=CCCCN(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000152296576 347968307 /nfs/dbraw/zinc/96/83/07/347968307.db2.gz VSPGCDYISROFSM-AWEZNQCLSA-N 1 0 269.433 2.570 10 30 CFEERO CC#CC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000162008032 348028507 /nfs/dbraw/zinc/02/85/07/348028507.db2.gz QZBDGMWLSGKMMD-JTQLQIEISA-N 1 0 299.155 2.965 10 30 CFEERO C#C[C@@H]([NH2+]CC)c1ccc(F)c(Br)c1 ZINC000169242626 348050221 /nfs/dbraw/zinc/05/02/21/348050221.db2.gz AKDVZKQCUURXJL-LLVKDONJSA-N 1 0 256.118 2.872 10 30 CFEERO C#C[C@H]([NH3+])c1cc(Br)sc1Br ZINC000236290339 348232435 /nfs/dbraw/zinc/23/24/35/348232435.db2.gz ICVLPHDKEWRZMC-YFKPBYRVSA-N 1 0 294.999 2.906 10 30 CFEERO [NH3+]CCC#Cc1ccc(Br)c(Cl)c1F ZINC000236232488 348232739 /nfs/dbraw/zinc/23/27/39/348232739.db2.gz VCGVKHDYBJMOFW-UHFFFAOYSA-N 1 0 276.536 2.942 10 30 CFEERO C=CC[N@H+]1CC[C@@H]2[C@H](C1)C2(Br)Br ZINC000307168205 348396791 /nfs/dbraw/zinc/39/67/91/348396791.db2.gz UJRRKTWKEIWUIJ-SFYZADRCSA-N 1 0 295.018 2.610 10 30 CFEERO C[NH+](C)CCN=Nc1ccnc2cc(Cl)ccc12 ZINC000584590520 348681757 /nfs/dbraw/zinc/68/17/57/348681757.db2.gz BBAXYWRRSZCJJJ-FRKPEAEDSA-N 1 0 262.744 2.848 10 30 CFEERO NC(=[NH2+])NN=Cc1ccc(/C=C/c2ccccc2)cc1 ZINC000584605288 348687097 /nfs/dbraw/zinc/68/70/97/348687097.db2.gz KORQFHPJVIRNNG-OMAKOEHPSA-N 1 0 264.332 2.674 10 30 CFEERO C=CC[N@@H+](Cc1cccc(N)c1)Cc1ccccn1 ZINC000584629440 348695165 /nfs/dbraw/zinc/69/51/65/348695165.db2.gz IVZOJNUASJIQBT-UHFFFAOYSA-N 1 0 253.349 2.852 10 30 CFEERO C[NH+](C)CCCC#CCN1CCCc2ccccc21 ZINC000584636323 348698353 /nfs/dbraw/zinc/69/83/53/348698353.db2.gz FOIVLLPUGRCXBB-UHFFFAOYSA-N 1 0 256.393 2.784 10 30 CFEERO C[Si](C)(C)C#C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000584635252 348698405 /nfs/dbraw/zinc/69/84/05/348698405.db2.gz PLIOYBXLRFOODY-MRXNPFEDSA-N 1 0 273.452 2.504 10 30 CFEERO N#Cc1cc(NC[C@@H]([NH3+])C2CC2)ccc1C(F)(F)F ZINC000129330097 187424198 /nfs/dbraw/zinc/42/41/98/187424198.db2.gz WOWJUGOYUUIMAX-GFCCVEGCSA-N 1 0 269.270 2.726 10 30 CFEERO CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594428296 349418569 /nfs/dbraw/zinc/41/85/69/349418569.db2.gz MHNZEOROUWCHRT-LSDHHAIUSA-N 1 0 273.380 2.665 10 30 CFEERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000600963230 350638893 /nfs/dbraw/zinc/63/88/93/350638893.db2.gz SUARYJAIPZNWOU-SCZZXKLOSA-N 1 0 269.270 2.503 10 30 CFEERO N#Cc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000070070180 283148818 /nfs/dbraw/zinc/14/88/18/283148818.db2.gz DLAGGQCYXLUIIC-HNNXBMFYSA-N 1 0 250.301 2.782 10 30 CFEERO N#Cc1ccnc(N2CCC([C@H]3CCC[NH2+]3)CC2)c1Cl ZINC000236028993 283221264 /nfs/dbraw/zinc/22/12/64/283221264.db2.gz SGJKZDZIQLYDSS-CYBMUJFWSA-N 1 0 290.798 2.575 10 30 CFEERO C[C@H]1CC(C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000421374754 236787086 /nfs/dbraw/zinc/78/70/86/236787086.db2.gz DCPYJMIGWXOPPR-RYUDHWBXSA-N 1 0 276.355 2.991 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(OC)c(C#N)c1 ZINC000180834896 189278326 /nfs/dbraw/zinc/27/83/26/189278326.db2.gz RMUZRVRLQHTIHR-IAGOWNOFSA-N 1 0 299.418 2.625 10 30 CFEERO Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)c(C#N)c(C)n1 ZINC000301810342 201213280 /nfs/dbraw/zinc/21/32/80/201213280.db2.gz ZDBNYMBBQOMEAT-AWEZNQCLSA-N 1 0 274.412 2.958 10 30 CFEERO CCC[N@@H+]1CCCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000302077204 201334403 /nfs/dbraw/zinc/33/44/03/201334403.db2.gz AIESAKJYBGDLNN-UHFFFAOYSA-N 1 0 285.391 2.683 10 30 CFEERO C=C(Cl)CC(=O)[C@@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685959354 541473786 /nfs/dbraw/zinc/47/37/86/541473786.db2.gz SHYHIQUPKOGAQD-FZMZJTMJSA-N 1 0 267.756 2.631 10 30 CFEERO C[N@H+]1[C@@H]2CC[C@H]1CC(=NOC(=O)C1CCCCC1)C2 ZINC000000135873 371539547 /nfs/dbraw/zinc/53/95/47/371539547.db2.gz WTMTUVSXDOKSQV-OKILXGFUSA-N 1 0 264.369 2.723 10 30 CFEERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000012669050 371980890 /nfs/dbraw/zinc/98/08/90/371980890.db2.gz NVNIZEAWLZNZML-NEPJUHHUSA-N 1 0 259.353 2.519 10 30 CFEERO N#C[C@@H](c1ccccc1)[C@H](O)C[n+]1ccc2ccccc2c1 ZINC000012941767 372002851 /nfs/dbraw/zinc/00/28/51/372002851.db2.gz VTTKPNADEGBKRR-RBUKOAKNSA-N 1 0 289.358 2.796 10 30 CFEERO N#Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)o2)cc1 ZINC000027984121 372355037 /nfs/dbraw/zinc/35/50/37/372355037.db2.gz PZOFOEYFADIHOP-UHFFFAOYSA-N 1 0 295.342 2.999 10 30 CFEERO CCC[NH2+]CCNc1ccc(C(F)(F)F)cc1C#N ZINC000054267453 373508328 /nfs/dbraw/zinc/50/83/28/373508328.db2.gz PYUUGWJEEZGUOP-UHFFFAOYSA-N 1 0 271.286 2.989 10 30 CFEERO CN(c1ccc(C#N)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000061846977 373733390 /nfs/dbraw/zinc/73/33/90/373733390.db2.gz OZHAWEMATSEDOW-ONXXMXGDSA-N 1 0 275.783 2.931 10 30 CFEERO C=CCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000065517016 373882993 /nfs/dbraw/zinc/88/29/93/373882993.db2.gz SQMGSBCWUDTMPB-INIZCTEOSA-N 1 0 287.407 2.526 10 30 CFEERO C[C@@H]([NH3+])C1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000068771211 374038336 /nfs/dbraw/zinc/03/83/36/374038336.db2.gz FVVQMDNVTYIXGL-GFCCVEGCSA-N 1 0 280.375 2.670 10 30 CFEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733243 374943170 /nfs/dbraw/zinc/94/31/70/374943170.db2.gz RRZSVGRDQHTLBB-RRFJBIMHSA-N 1 0 274.412 2.636 10 30 CFEERO C=CCC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)C1CC1 ZINC000090224811 375006805 /nfs/dbraw/zinc/00/68/05/375006805.db2.gz WAFGQGHDXNEQAN-UONOGXRCSA-N 1 0 260.385 2.756 10 30 CFEERO CC(C)(CCC#N)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091979495 375073622 /nfs/dbraw/zinc/07/36/22/375073622.db2.gz SZNJZIRONXVHPN-KBPBESRZSA-N 1 0 250.386 2.960 10 30 CFEERO C[C@@H]1C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113335588 376010535 /nfs/dbraw/zinc/01/05/35/376010535.db2.gz HZXSXOISPPWGAS-CJNGLKHVSA-N 1 0 280.375 2.962 10 30 CFEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000119306594 376391799 /nfs/dbraw/zinc/39/17/99/376391799.db2.gz ANYOJJHXCTUDRZ-ZIAGYGMSSA-N 1 0 280.371 2.628 10 30 CFEERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121677876 376882835 /nfs/dbraw/zinc/88/28/35/376882835.db2.gz WMXXITXEZUUEBQ-MRXNPFEDSA-N 1 0 298.365 2.867 10 30 CFEERO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)s1 ZINC000128259620 377328224 /nfs/dbraw/zinc/32/82/24/377328224.db2.gz WZGLMXUDJUNJRG-ZDUSSCGKSA-N 1 0 298.415 2.949 10 30 CFEERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(C#N)cc1Br ZINC000127281543 377272841 /nfs/dbraw/zinc/27/28/41/377272841.db2.gz VHVYPXLTDMVOAJ-VHSXEESVSA-N 1 0 294.196 2.507 10 30 CFEERO C[C@H](C[NH3+])CNc1ccc(C#N)cc1C(F)(F)F ZINC000336794530 380641561 /nfs/dbraw/zinc/64/15/61/380641561.db2.gz CPTLESVBKNVDQS-MRVPVSSYSA-N 1 0 257.259 2.584 10 30 CFEERO C[C@H](CCC[NH3+])Nc1ccc(C#N)cc1Br ZINC000336674507 380588259 /nfs/dbraw/zinc/58/82/59/380588259.db2.gz UTXRQRJGZUYSQT-SECBINFHSA-N 1 0 282.185 2.860 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000180933059 380713258 /nfs/dbraw/zinc/71/32/58/380713258.db2.gz SBSKLKSDAKOSQJ-ILXRZTDVSA-N 1 0 281.444 2.759 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000180933075 380713334 /nfs/dbraw/zinc/71/33/34/380713334.db2.gz SBSKLKSDAKOSQJ-KKUMJFAQSA-N 1 0 281.444 2.759 10 30 CFEERO N#Cc1cccc(OCCC[N@@H+]2C[C@@H]3CCC[C@@H]32)c1 ZINC000357623871 382255828 /nfs/dbraw/zinc/25/58/28/382255828.db2.gz UIKQNKIHIOJRQH-HOCLYGCPSA-N 1 0 256.349 2.811 10 30 CFEERO C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000307606898 382468454 /nfs/dbraw/zinc/46/84/54/382468454.db2.gz DRBDPRYXRLYAOQ-NXEZZACHSA-N 1 0 262.781 2.630 10 30 CFEERO CC[C@](C)([NH3+])C#Cc1sccc1Br ZINC000307603077 382468511 /nfs/dbraw/zinc/46/85/11/382468511.db2.gz YMXMAVZYIACJMZ-JTQLQIEISA-N 1 0 258.184 2.990 10 30 CFEERO C=CC[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000189256621 382576037 /nfs/dbraw/zinc/57/60/37/382576037.db2.gz XDWZWNBWJKJNLX-IAGOWNOFSA-N 1 0 284.403 2.653 10 30 CFEERO CC(C)(C)OC(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC000575459270 382772153 /nfs/dbraw/zinc/77/21/53/382772153.db2.gz RFRASKWQFAXVNR-UHFFFAOYSA-N 1 0 279.365 2.612 10 30 CFEERO C#C[C@H]([NH3+])c1ccc(I)c(Cl)c1 ZINC000232361438 382868796 /nfs/dbraw/zinc/86/87/96/382868796.db2.gz IXMACOOYDLNAAC-VIFPVBQESA-N 1 0 291.519 2.578 10 30 CFEERO C=CCCCCCN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237045265 382947626 /nfs/dbraw/zinc/94/76/26/382947626.db2.gz RSMWSUCKDLNYPQ-UONOGXRCSA-N 1 0 252.402 2.709 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1OC ZINC000245943747 383051731 /nfs/dbraw/zinc/05/17/31/383051731.db2.gz BCWYZFDJKVOXQF-SJORKVTESA-N 1 0 299.418 2.625 10 30 CFEERO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000247417754 383171339 /nfs/dbraw/zinc/17/13/39/383171339.db2.gz MYFRKMXJNXGCNL-LSDHHAIUSA-N 1 0 277.412 2.501 10 30 CFEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Cl)cc1C#N ZINC000248585949 383265052 /nfs/dbraw/zinc/26/50/52/383265052.db2.gz XSGOQECZFXMTRB-WBMJQRKESA-N 1 0 289.810 2.880 10 30 CFEERO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000248282385 383222685 /nfs/dbraw/zinc/22/26/85/383222685.db2.gz VSTLGGDKTSFFFV-DLBZAZTESA-N 1 0 296.374 2.542 10 30 CFEERO C[C@@H](c1cccc(C#N)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249259996 383335815 /nfs/dbraw/zinc/33/58/15/383335815.db2.gz HLAGHGOMJMFCHQ-YOEHRIQHSA-N 1 0 269.392 2.789 10 30 CFEERO CO[C@@H]1CCC12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000257179644 383490694 /nfs/dbraw/zinc/49/06/94/383490694.db2.gz JCRHPTRQNPOXJO-MRXNPFEDSA-N 1 0 270.376 2.949 10 30 CFEERO C=CCCC(C)(C)CNC(=O)C1CCC([NH3+])CC1 ZINC000638875403 385008576 /nfs/dbraw/zinc/00/85/76/385008576.db2.gz RVIJOPVAZYORAE-UHFFFAOYSA-N 1 0 252.402 2.613 10 30 CFEERO C=CCC[C@@H](O)C[N@@H+](CCCOC)Cc1ccsc1 ZINC000036099449 393522545 /nfs/dbraw/zinc/52/25/45/393522545.db2.gz DFDZYDPQQMUXGY-OAHLLOKOSA-N 1 0 283.437 2.914 10 30 CFEERO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000193182265 393644580 /nfs/dbraw/zinc/64/45/80/393644580.db2.gz LISIXISBNYARLY-LBPRGKRZSA-N 1 0 291.420 2.741 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccccc1C#N ZINC000083704264 393744603 /nfs/dbraw/zinc/74/46/03/393744603.db2.gz QQUQCMHZHCIEOK-WMLDXEAASA-N 1 0 269.392 2.617 10 30 CFEERO CC(C)c1ccc2ncc(C#N)c(N3CC[NH2+]CC3)c2c1 ZINC000420131887 394084358 /nfs/dbraw/zinc/08/43/58/394084358.db2.gz XSBGSTOTZQWLQC-UHFFFAOYSA-N 1 0 280.375 2.639 10 30 CFEERO N#Cc1ccc(N2CCC[C@@H]2C[NH3+])cc1C(F)(F)F ZINC000132005400 394145435 /nfs/dbraw/zinc/14/54/35/394145435.db2.gz DHJUWZMDENZTIB-LLVKDONJSA-N 1 0 269.270 2.505 10 30 CFEERO C=CC[NH2+]CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000004894389 170037183 /nfs/dbraw/zinc/03/71/83/170037183.db2.gz QWLYYHSWOIXPAE-UHFFFAOYSA-N 1 0 280.371 2.668 10 30 CFEERO N#Cc1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000022939750 171404556 /nfs/dbraw/zinc/40/45/56/171404556.db2.gz HTHOEZZQILYTTJ-SFHVURJKSA-N 1 0 277.371 2.553 10 30 CFEERO C#CCN1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC000037220909 173039085 /nfs/dbraw/zinc/03/90/85/173039085.db2.gz LUQAKGFDXKVXCT-OAHLLOKOSA-N 1 0 256.393 2.743 10 30 CFEERO Cc1ccc(COc2ccccc2C#CC[NH3+])cc1 ZINC000037547907 173264375 /nfs/dbraw/zinc/26/43/75/173264375.db2.gz YYXXUVKQTRSEGJ-UHFFFAOYSA-N 1 0 251.329 2.884 10 30 CFEERO CSc1nc2c(c(-c3ccco3)c1C#N)C[N@H+](C)CC2 ZINC000040569911 174338559 /nfs/dbraw/zinc/33/85/59/174338559.db2.gz VTOMQNMDJOLBRJ-UHFFFAOYSA-N 1 0 285.372 2.923 10 30 CFEERO COc1ccc(CC[NH3+])c(OCc2ccc(C#N)cc2)c1 ZINC000040904616 174429754 /nfs/dbraw/zinc/42/97/54/174429754.db2.gz QIUDCFOLGVSAIG-UHFFFAOYSA-N 1 0 282.343 2.647 10 30 CFEERO CCC[NH2+]Cc1cnn(-c2cccc(C#N)c2)c1C ZINC000042355884 174694014 /nfs/dbraw/zinc/69/40/14/174694014.db2.gz PECZZLUNAKAWBQ-UHFFFAOYSA-N 1 0 254.337 2.552 10 30 CFEERO CC[C@H]([NH3+])[C@H](c1cccc(F)c1)N(C)C[C@@H](C)C#N ZINC000042972913 174936798 /nfs/dbraw/zinc/93/67/98/174936798.db2.gz MYILCOSGAKQYPO-CQDKDKBSSA-N 1 0 263.360 2.696 10 30 CFEERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CCC#N ZINC000043051144 174959233 /nfs/dbraw/zinc/95/92/33/174959233.db2.gz SRNACJQQWXWCPN-KBPBESRZSA-N 1 0 265.788 2.964 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)c1ccccn1 ZINC000043342297 175015940 /nfs/dbraw/zinc/01/59/40/175015940.db2.gz MFEJKZOLQSHORX-GOEBONIOSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)c1ccccn1 ZINC000043343834 175016441 /nfs/dbraw/zinc/01/64/41/175016441.db2.gz JOFWIOQHYLMWJD-CZUORRHYSA-N 1 0 285.322 2.950 10 30 CFEERO Cc1ccc([C@@H](Oc2ccccc2C#N)[C@@H](C)[NH3+])o1 ZINC000043366278 175027260 /nfs/dbraw/zinc/02/72/60/175027260.db2.gz LPLBXSGRJZWDER-ABAIWWIYSA-N 1 0 256.305 2.927 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)C(F)(F)F ZINC000043384411 175031653 /nfs/dbraw/zinc/03/16/53/175031653.db2.gz XZRVWCWBODIBMN-WDEREUQCSA-N 1 0 258.243 2.605 10 30 CFEERO C[NH2+][C@@H]1CC(C)(C)Oc2cc(O[C@@H](C)C#N)ccc21 ZINC000043513898 175061714 /nfs/dbraw/zinc/06/17/14/175061714.db2.gz OMXYZRHVYCNHGO-GXFFZTMASA-N 1 0 260.337 2.799 10 30 CFEERO CC[C@H](C#N)Oc1ccc(C[C@H](C)[NH3+])cc1Cl ZINC000043543691 175064154 /nfs/dbraw/zinc/06/41/54/175064154.db2.gz QXNAXRSLUYSYBO-GXSJLCMTSA-N 1 0 252.745 2.911 10 30 CFEERO CC[C@H](C#N)Oc1cc(OC)ccc1C[C@@H]([NH3+])CC ZINC000043543664 175064226 /nfs/dbraw/zinc/06/42/26/175064226.db2.gz ZXCCQSGULCRKNJ-QWHCGFSZSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@H](C#N)Oc1ccc(C[C@@H]([NH3+])CC)cc1OC ZINC000043543606 175064347 /nfs/dbraw/zinc/06/43/47/175064347.db2.gz NAYOBIOVEHOIBM-QWHCGFSZSA-N 1 0 262.353 2.656 10 30 CFEERO C=CCN(C(=O)[C@H]1[NH2+]CCc2ccccc21)C1CCCC1 ZINC000043595413 175076262 /nfs/dbraw/zinc/07/62/62/175076262.db2.gz SJJKCWHIOFXJBG-KRWDZBQOSA-N 1 0 284.403 2.831 10 30 CFEERO CCc1ccc(C(=O)NCc2ccccc2C#CC[NH3+])s1 ZINC000043640342 175084420 /nfs/dbraw/zinc/08/44/20/175084420.db2.gz YKDSFJJKZUQQII-UHFFFAOYSA-N 1 0 298.411 2.551 10 30 CFEERO CCc1ccc(C(=O)Nc2cccc(C#CC[NH3+])c2)s1 ZINC000043640333 175084625 /nfs/dbraw/zinc/08/46/25/175084625.db2.gz FPYDXISMOVITKB-UHFFFAOYSA-N 1 0 284.384 2.873 10 30 CFEERO CC[C@H]1CCC[N@H+](Cc2sccc2C#CCO)C1 ZINC000043677855 175088848 /nfs/dbraw/zinc/08/88/48/175088848.db2.gz LEUPJMPQUINPTA-ZDUSSCGKSA-N 1 0 263.406 2.714 10 30 CFEERO CC[C@@H](C)C[N@H+](C)Cc1sccc1C#CCO ZINC000043679564 175090520 /nfs/dbraw/zinc/09/05/20/175090520.db2.gz RGAABPJVGQSSOH-GFCCVEGCSA-N 1 0 251.395 2.570 10 30 CFEERO CCC[N@H+](CC)Cc1sccc1C#CCCO ZINC000043679388 175090606 /nfs/dbraw/zinc/09/06/06/175090606.db2.gz LYFXCTITCODMQA-UHFFFAOYSA-N 1 0 251.395 2.714 10 30 CFEERO CC[C@H](C)[N@H+](CCOC)Cc1ccc(C#CCCO)s1 ZINC000043681983 175091097 /nfs/dbraw/zinc/09/10/97/175091097.db2.gz BQMVOWXJQZGFOS-AWEZNQCLSA-N 1 0 295.448 2.729 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2ccc(F)cc2F)s1 ZINC000043684598 175092895 /nfs/dbraw/zinc/09/28/95/175092895.db2.gz UYOPPMJCVCJQFM-UHFFFAOYSA-N 1 0 279.311 2.916 10 30 CFEERO COc1ccc(COCc2sccc2C#CC[NH3+])cc1 ZINC000043685139 175093717 /nfs/dbraw/zinc/09/37/17/175093717.db2.gz UCTKMHLKEQWFSP-UHFFFAOYSA-N 1 0 287.384 2.784 10 30 CFEERO CC1([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCCCC1 ZINC000045045188 175295996 /nfs/dbraw/zinc/29/59/96/175295996.db2.gz JENTZCBRKSHESQ-OAHLLOKOSA-N 1 0 288.391 2.610 10 30 CFEERO CC1(NC(=O)c2ccc(F)cc2C#CC[NH3+])CCCCC1 ZINC000045047652 175297012 /nfs/dbraw/zinc/29/70/12/175297012.db2.gz PNYXYVSYQFEOAI-UHFFFAOYSA-N 1 0 288.366 2.589 10 30 CFEERO Cc1ccsc1C(=O)N[C@@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587238 175490010 /nfs/dbraw/zinc/49/00/10/175490010.db2.gz VWJMCHVWBURUDN-ZDUSSCGKSA-N 1 0 298.411 2.858 10 30 CFEERO COc1ccccc1OCc1cccc(C#CC[NH3+])c1 ZINC000049610556 175492416 /nfs/dbraw/zinc/49/24/16/175492416.db2.gz JNKLWLIKBULNLE-UHFFFAOYSA-N 1 0 267.328 2.584 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2ccc(F)cc2)c(F)c1 ZINC000049610519 175492772 /nfs/dbraw/zinc/49/27/72/175492772.db2.gz AZOAXBMQWKSGSB-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO COc1ccc(C#CCCO)cc1C[NH+]1CCCCCC1 ZINC000049616119 175494187 /nfs/dbraw/zinc/49/41/87/175494187.db2.gz NKWZDKBFWHJGGF-UHFFFAOYSA-N 1 0 287.403 2.805 10 30 CFEERO OCCC#Cc1ccccc1C[NH+]1CCCCCC1 ZINC000049616113 175494246 /nfs/dbraw/zinc/49/42/46/175494246.db2.gz LRAMPIRYAYEOKE-UHFFFAOYSA-N 1 0 257.377 2.797 10 30 CFEERO CN(Cc1ccc(F)cc1C#CC[NH3+])c1ccccc1F ZINC000050006621 175506524 /nfs/dbraw/zinc/50/65/24/175506524.db2.gz DWQOYNHPFACIKF-UHFFFAOYSA-N 1 0 286.325 2.911 10 30 CFEERO C=C[C@@H](C)Oc1c(OC)cc(C[C@@H](C)[NH3+])cc1OC ZINC000052144353 175532783 /nfs/dbraw/zinc/53/27/83/175532783.db2.gz AOJFMFDCRPQJQJ-GHMZBOCLSA-N 1 0 265.353 2.547 10 30 CFEERO CCCN([C@@H](CC#N)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000071332216 176125536 /nfs/dbraw/zinc/12/55/36/176125536.db2.gz ZPPNTULZQSPNML-CVEARBPZSA-N 1 0 257.381 2.715 10 30 CFEERO CCCN(c1ccc(C#N)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000071332383 176125726 /nfs/dbraw/zinc/12/57/26/176125726.db2.gz CFJRTEVSVZHBNZ-GFCCVEGCSA-N 1 0 263.772 2.790 10 30 CFEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)NC1CCOCC1 ZINC000127902321 264275801 /nfs/dbraw/zinc/27/58/01/264275801.db2.gz ODDQXMRWEAZOQP-HZPDHXFCSA-N 1 0 293.455 2.689 10 30 CFEERO C[C@@H]1CCN(c2cc(Cl)ccc2C#N)C[C@@H]1C[NH3+] ZINC000163987988 274304463 /nfs/dbraw/zinc/30/44/63/274304463.db2.gz QVSCSZWHZBIDKS-PWSUYJOCSA-N 1 0 263.772 2.633 10 30 CFEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(C#N)cc1Br ZINC000229608036 274419208 /nfs/dbraw/zinc/41/92/08/274419208.db2.gz AMTGWBBLYMFJOU-CABZTGNLSA-N 1 0 294.196 2.873 10 30 CFEERO N#Cc1cc(Cl)ccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252875550 274919418 /nfs/dbraw/zinc/91/94/18/274919418.db2.gz VTHZUDRQFTXOGH-BPNCWPANSA-N 1 0 275.783 2.775 10 30 CFEERO CC[NH+](CC)[C@H](C)CNc1cc(C)nc(C)c1C#N ZINC000301791002 276118309 /nfs/dbraw/zinc/11/83/09/276118309.db2.gz QPECHHZLZIIDNN-GFCCVEGCSA-N 1 0 260.385 2.712 10 30 CFEERO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193045302 277394377 /nfs/dbraw/zinc/39/43/77/277394377.db2.gz XPUHTDJEGAMNSF-ARFHVFGLSA-N 1 0 263.429 2.779 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(C#N)cc1Cl ZINC000174924166 281196203 /nfs/dbraw/zinc/19/62/03/281196203.db2.gz SDTIUKITAICPIA-QWHCGFSZSA-N 1 0 290.798 2.670 10 30 CFEERO N#C[C@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1 ZINC000333948702 303167374 /nfs/dbraw/zinc/16/73/74/303167374.db2.gz WOKDRLZYBRACTF-SCNOPHJPSA-N 1 0 297.402 2.678 10 30 CFEERO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(-n2ccnc2)c1 ZINC000189893605 327868794 /nfs/dbraw/zinc/86/87/94/327868794.db2.gz DDETZEUOSBLQLS-CABCVRRESA-N 1 0 293.374 2.966 10 30 CFEERO C[C@@H]([NH3+])C[C@@H](C)Nc1c(C#N)cnc2ccccc21 ZINC000320709047 322437517 /nfs/dbraw/zinc/43/75/17/322437517.db2.gz UAIPSEPUELKPNF-GHMZBOCLSA-N 1 0 254.337 2.644 10 30 CFEERO N#Cc1cc(N[C@@H](CC[NH3+])C(F)F)nc2ccccc12 ZINC000383317841 324437802 /nfs/dbraw/zinc/43/78/02/324437802.db2.gz REOSYASAXWQXCS-LBPRGKRZSA-N 1 0 276.290 2.501 10 30 CFEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000246488233 329864657 /nfs/dbraw/zinc/86/46/57/329864657.db2.gz RRZSVGRDQHTLBB-KKUMJFAQSA-N 1 0 274.412 2.636 10 30 CFEERO COc1ccc([C@H]2C[C@H]([NH+]=C(N(C)C)N(C)C)C2)cc1F ZINC000261616825 329976080 /nfs/dbraw/zinc/97/60/80/329976080.db2.gz CWJNGTAPVUMPKP-JOCQHMNTSA-N 1 0 293.386 2.560 10 30 CFEERO CCN(CC)C(=[NH2+])N[C@H]1C[C@H](c2ccc(OC)c(F)c2)C1 ZINC000261741445 329980925 /nfs/dbraw/zinc/98/09/25/329980925.db2.gz PGDFEIATEVNBKW-JOCQHMNTSA-N 1 0 293.386 2.737 10 30 CFEERO COCc1ccccc1NC(=[NH2+])NCc1cnc(C)s1 ZINC000262394701 330012516 /nfs/dbraw/zinc/01/25/16/330012516.db2.gz MUXAHWPHFVXURV-UHFFFAOYSA-N 1 0 290.392 2.525 10 30 CFEERO [NH2+]=C(NCC1(C(F)(F)F)CCC1)NC1CCCCC1 ZINC000262665725 330025376 /nfs/dbraw/zinc/02/53/76/330025376.db2.gz OODVVNGUHVBKFP-UHFFFAOYSA-N 1 0 277.334 2.956 10 30 CFEERO C[C@H]1C[NH+]=C(NCC(C)(C)c2c(F)cccc2Cl)N1 ZINC000262687803 330027207 /nfs/dbraw/zinc/02/72/07/330027207.db2.gz ZCOXUDODKGKLAE-VIFPVBQESA-N 1 0 283.778 2.694 10 30 CFEERO [NH2+]=C(N[C@@H]1COc2ccccc21)NC1CCCCCC1 ZINC000262608321 330028555 /nfs/dbraw/zinc/02/85/55/330028555.db2.gz AFJJRMFRFGCPBY-CQSZACIVSA-N 1 0 273.380 2.747 10 30 CFEERO C[NH+]=C(N[C@@H](C)c1ccc(OC)c(F)c1)NC1CCC1 ZINC000262756466 330029473 /nfs/dbraw/zinc/02/94/73/330029473.db2.gz BMBPUICKAUBBHE-JTQLQIEISA-N 1 0 279.359 2.613 10 30 CFEERO [NH2+]=C(Nc1ccc2c(c1)CCC2)N[C@H]1C[C@@H]1C(F)F ZINC000262812287 330033500 /nfs/dbraw/zinc/03/35/00/330033500.db2.gz OHOPYCGNEQLLFR-RYUDHWBXSA-N 1 0 265.307 2.556 10 30 CFEERO [NH2+]=C(NC[C@H]1CC12CC2)Nc1ccc2c(c1)CCC2 ZINC000263057282 330041260 /nfs/dbraw/zinc/04/12/60/330041260.db2.gz FBXQPFQPKUHOPR-CYBMUJFWSA-N 1 0 255.365 2.702 10 30 CFEERO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)c(C)c1 ZINC000424104639 330233865 /nfs/dbraw/zinc/23/38/65/330233865.db2.gz UZAWQCOTKOZSQT-HIFRSBDPSA-N 1 0 273.380 2.502 10 30 CFEERO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000122570828 330425399 /nfs/dbraw/zinc/42/53/99/330425399.db2.gz DNJMVMOTBNVXIB-CYBMUJFWSA-N 1 0 268.401 2.799 10 30 CFEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000164159416 331172857 /nfs/dbraw/zinc/17/28/57/331172857.db2.gz LYTJIMSWWGLOKN-SNVBAGLBSA-N 1 0 298.839 2.772 10 30 CFEERO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(CC)o1 ZINC000253606813 333185967 /nfs/dbraw/zinc/18/59/67/333185967.db2.gz ZDQWZKXHYFXURY-HZPDHXFCSA-N 1 0 288.391 2.593 10 30 CFEERO C#C[C@@H](CC)[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000229878273 333310571 /nfs/dbraw/zinc/31/05/71/333310571.db2.gz XEIOBAUIGUFMLE-AAEUAGOBSA-N 1 0 277.364 2.775 10 30 CFEERO CC(C)CC[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000069235784 519681955 /nfs/dbraw/zinc/68/19/55/519681955.db2.gz KCKFFBSCAPOJNS-CYBMUJFWSA-N 1 0 290.382 2.690 10 30 CFEERO CC(C)[C@H]([NH3+])CCN(C)c1nc2c(cc1C#N)CCCC2 ZINC000156789928 519817775 /nfs/dbraw/zinc/81/77/75/519817775.db2.gz GQSBSFVWJGZTAP-OAHLLOKOSA-N 1 0 286.423 2.642 10 30 CFEERO CCCCC[C@H](C)NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000049105964 520307190 /nfs/dbraw/zinc/30/71/90/520307190.db2.gz YCBPDRXXIKJQQQ-ZDUSSCGKSA-N 1 0 290.382 2.835 10 30 CFEERO CC[NH+](CC)CCNC1(C#N)CCC(C(F)(F)F)CC1 ZINC000069375228 520688263 /nfs/dbraw/zinc/68/82/63/520688263.db2.gz XKDYRHQJACPEDV-UHFFFAOYSA-N 1 0 291.361 2.933 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1C#N ZINC000245446114 523488189 /nfs/dbraw/zinc/48/81/89/523488189.db2.gz ZNCMDIJQCNHHMI-SJORKVTESA-N 1 0 269.392 2.617 10 30 CFEERO C[N@@H+]1CCCC[C@@H]1CCNCc1cccc(C#N)c1 ZINC000052205639 523792293 /nfs/dbraw/zinc/79/22/93/523792293.db2.gz RZCUNCJYRSYOCS-MRXNPFEDSA-N 1 0 257.381 2.522 10 30 CFEERO C[N@@H+]1CCCC[C@@H]1CCNc1cccc(F)c1C#N ZINC000052205558 523794314 /nfs/dbraw/zinc/79/43/14/523794314.db2.gz KGZUOESJBYFRMA-GFCCVEGCSA-N 1 0 261.344 2.984 10 30 CFEERO C[C@H]([NH3+])CCNc1ccc(C(F)(F)F)cc1C#N ZINC000063171578 524833244 /nfs/dbraw/zinc/83/32/44/524833244.db2.gz FLBWXSMCYILLQL-QMMMGPOBSA-N 1 0 257.259 2.726 10 30 CFEERO C[C@@H](NC(=O)CCC1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000050944177 525083382 /nfs/dbraw/zinc/08/33/82/525083382.db2.gz IVYFVPWYMQPJCD-CYBMUJFWSA-N 1 0 285.391 2.515 10 30 CFEERO N#Cc1cc(NC[C@@H]2CCC[NH2+]2)ccc1C(F)(F)F ZINC000164075891 526571433 /nfs/dbraw/zinc/57/14/33/526571433.db2.gz KCJJMSSJTXXWRW-NSHDSACASA-N 1 0 269.270 2.741 10 30 CFEERO C#CCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000113321178 526744511 /nfs/dbraw/zinc/74/45/11/526744511.db2.gz CCBWIQWVOYDOLY-PBHICJAKSA-N 1 0 273.376 2.746 10 30 CFEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000120565920 617730430 /nfs/dbraw/zinc/73/04/30/617730430.db2.gz RCIPHCAAAAXLRA-UONOGXRCSA-N 1 0 286.419 2.773 10 30 CFEERO C[C@@H](C#N)OCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000306055082 617791223 /nfs/dbraw/zinc/79/12/23/617791223.db2.gz UOCBRFDJYMRGPV-QWRGUYRKSA-N 1 0 252.745 2.919 10 30 CFEERO C#CCOc1ccc(C[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000247362889 618187282 /nfs/dbraw/zinc/18/72/82/618187282.db2.gz ORCXIMALCZZFQZ-CRAIPNDOSA-N 1 0 286.419 2.517 10 30 CFEERO CN(CC(C)(C)C[NH3+])c1nc2ccccc2cc1C#N ZINC000093874572 619063370 /nfs/dbraw/zinc/06/33/70/619063370.db2.gz TZFLQCPWWUSDBF-UHFFFAOYSA-N 1 0 268.364 2.528 10 30 CFEERO Cc1nc(NC2CCC([NH3+])CC2)c(Cl)cc1C#N ZINC000261571060 619171533 /nfs/dbraw/zinc/17/15/33/619171533.db2.gz KTFZXUFOOMLMAR-UHFFFAOYSA-N 1 0 264.760 2.597 10 30 CFEERO C[NH2+][C@@H](C)CNc1ccc(C(F)(F)F)cc1C#N ZINC000261593242 619173823 /nfs/dbraw/zinc/17/38/23/619173823.db2.gz ZBLZYSGVXPXRPU-QMMMGPOBSA-N 1 0 257.259 2.597 10 30 CFEERO CCCCCCCCCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000232932214 619180229 /nfs/dbraw/zinc/18/02/29/619180229.db2.gz UDPYHJFSPRCYSW-UONOGXRCSA-N 1 0 254.418 2.933 10 30 CFEERO N#Cc1ccc(OCCC[N@@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000203808062 619184963 /nfs/dbraw/zinc/18/49/63/619184963.db2.gz BLVRCJXNOCVKLA-ZBFHGGJFSA-N 1 0 256.349 2.811 10 30 CFEERO CC[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261652558 619187450 /nfs/dbraw/zinc/18/74/50/619187450.db2.gz MXCKBJSXSIUMJD-LXTVHRRPSA-N 1 0 293.455 2.544 10 30 CFEERO C#CCC[NH2+]Cc1ccc(C)c(Br)c1 ZINC000164759945 622967936 /nfs/dbraw/zinc/96/79/36/622967936.db2.gz KGBPPNGYFDLBCM-UHFFFAOYSA-N 1 0 252.155 2.870 10 30 CFEERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000061892809 623240304 /nfs/dbraw/zinc/24/03/04/623240304.db2.gz OJZGGIVDMSTAMZ-HZSPNIEDSA-N 1 0 293.411 2.668 10 30 CFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000230686699 623293489 /nfs/dbraw/zinc/29/34/89/623293489.db2.gz ADTKSPXCKDRIRA-CABZTGNLSA-N 1 0 295.180 2.937 10 30 CFEERO N#Cc1cnc2ccccc2c1NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000312759064 623619259 /nfs/dbraw/zinc/61/92/59/623619259.db2.gz WYBUEBVUCWBKPW-WCQYABFASA-N 1 0 266.348 2.646 10 30 CFEERO C#CCOc1ccc(C[NH2+][C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000154087909 624261924 /nfs/dbraw/zinc/26/19/24/624261924.db2.gz ORCXIMALCZZFQZ-QAPCUYQASA-N 1 0 286.419 2.517 10 30 CFEERO CCCC[C@@H](C[NH3+])Nc1nc(Cl)c(C#N)s1 ZINC000232989436 624917076 /nfs/dbraw/zinc/91/70/76/624917076.db2.gz BDDQFYKOMAAYQX-ZETCQYMHSA-N 1 0 258.778 2.598 10 30 CFEERO CCCN(c1cc(C#N)c2ccccc2n1)[C@@H]1CC[NH2+]C1 ZINC000068771185 625027330 /nfs/dbraw/zinc/02/73/30/625027330.db2.gz WYZHKPYOHPVFTQ-CQSZACIVSA-N 1 0 280.375 2.685 10 30 CFEERO CCOc1ccc(CN(C)C(N[C@@H]2C[C@H]2C)=[NH+]C)cc1 ZINC000073741730 626353355 /nfs/dbraw/zinc/35/33/55/626353355.db2.gz SURHTUMKKGIMCL-IUODEOHRSA-N 1 0 275.396 2.501 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N(C)Cc1ccc(OC(F)F)cc1 ZINC000073756517 626370835 /nfs/dbraw/zinc/37/08/35/626370835.db2.gz NBOITEVLEQAIEN-ZWNOBZJWSA-N 1 0 297.349 2.704 10 30 CFEERO CCCCCCC[NH+]1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000186690410 626395660 /nfs/dbraw/zinc/39/56/60/626395660.db2.gz CHQWDZAARKTGRD-UHFFFAOYSA-N 1 0 284.444 2.828 10 30 CFEERO CCCCCCCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000115061902 635964244 /nfs/dbraw/zinc/96/42/44/635964244.db2.gz SWSDDHKCWSWSKK-KGLIPLIRSA-N 1 0 254.418 2.981 10 30 CFEERO C[C@@H]1C[NH+](Cc2ccc(N(C)CCC#N)cc2)C[C@@H](C)O1 ZINC000127024849 643822896 /nfs/dbraw/zinc/82/28/96/643822896.db2.gz LCRFWICCHIHOON-HUUCEWRRSA-N 1 0 287.407 2.646 10 30 CFEERO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)cc1 ZINC000247977610 650920473 /nfs/dbraw/zinc/92/04/73/650920473.db2.gz HZSREJRREUIDII-ZVZYQTTQSA-N 1 0 287.403 2.900 10 30 CFEERO C#CCOc1ccccc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000131387623 645717188 /nfs/dbraw/zinc/71/71/88/645717188.db2.gz UPHDPFWGDVHFLE-ZDUSSCGKSA-N 1 0 261.390 2.636 10 30 CFEERO C[C@@H]1CCCC[C@H]1NC(=O)C[N+](C)(C)C1CCCC1 ZINC000029413756 717118590 /nfs/dbraw/zinc/11/85/90/717118590.db2.gz QYZYBZCZQLVNKN-UKRRQHHQSA-O 1 0 267.437 2.700 10 30 CFEERO C[N+]1(CC#CCOC(=O)Nc2ccc(F)cc2)CCCC1 ZINC000031538173 717120104 /nfs/dbraw/zinc/12/01/04/717120104.db2.gz QPJXLGDWRGOCFK-UHFFFAOYSA-O 1 0 291.346 2.618 10 30 CFEERO COc1cc(N=C[N+](C)(C)C)c(OC)cc1Cl ZINC001088705369 717196926 /nfs/dbraw/zinc/19/69/26/717196926.db2.gz HNNCCZZBZJOCMI-UHFFFAOYSA-N 1 0 257.741 2.723 10 30 CFEERO COc1ccc(OCC[NH2+][C@H]2CCCC[C@H]2C#N)cc1 ZINC000595697633 349707835 /nfs/dbraw/zinc/70/78/35/349707835.db2.gz JWUMNHBXIVEYEX-BBRMVZONSA-N 1 0 274.364 2.746 10 30 CFEERO CN(c1c(F)cc(C#N)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000127036653 187277895 /nfs/dbraw/zinc/27/78/95/187277895.db2.gz CQXVOHCGGOFQGI-FOSCPWQOSA-N 1 0 277.318 2.556 10 30 CFEERO CC[NH+](CC)CC#CCCC(=O)[C@@](C)(O)c1ccccc1 ZINC000013825151 346233289 /nfs/dbraw/zinc/23/32/89/346233289.db2.gz CIZRRARIHKVPFV-SFHVURJKSA-N 1 0 287.403 2.589 10 30 CFEERO C=CCCCCCN(C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000119613023 347802860 /nfs/dbraw/zinc/80/28/60/347802860.db2.gz GYFJNNPHGVHRFN-OAHLLOKOSA-N 1 0 281.444 2.859 10 30 CFEERO C=C[C@H]([NH2+]C)c1ccc(I)cc1 ZINC000130578365 347872592 /nfs/dbraw/zinc/87/25/92/347872592.db2.gz WBQIPRFUBWWWQS-JTQLQIEISA-N 1 0 273.117 2.738 10 30 CFEERO C[NH+](C)CCOc1cc(C(F)(F)F)ccc1C#N ZINC000150106607 347955115 /nfs/dbraw/zinc/95/51/15/347955115.db2.gz IBPGKBKXCPXUGN-UHFFFAOYSA-N 1 0 258.243 2.517 10 30 CFEERO O=CCC1CC[NH+](CCOCCc2ccccc2)CC1 ZINC000148126177 347950065 /nfs/dbraw/zinc/95/00/65/347950065.db2.gz JPIWNJCTUVLBPC-UHFFFAOYSA-N 1 0 275.392 2.547 10 30 CFEERO C[C@H]1CN(Cc2ccc(F)cc2C#N)CCS1 ZINC000171685846 348079472 /nfs/dbraw/zinc/07/94/72/348079472.db2.gz SLMFYUQSVNTUQT-JTQLQIEISA-N 1 0 250.342 2.635 10 30 CFEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000178288749 348119514 /nfs/dbraw/zinc/11/95/14/348119514.db2.gz WQOSBYQLWRFSRH-HNNXBMFYSA-N 1 0 274.412 2.986 10 30 CFEERO CC[N@@H+]1CCC[C@@](C#N)(NCc2ccccc2)CC1 ZINC000086849212 179357714 /nfs/dbraw/zinc/35/77/14/179357714.db2.gz NCHVGKYUUHNSIT-MRXNPFEDSA-N 1 0 257.381 2.544 10 30 CFEERO C#C[C@H]([NH2+]C)c1cc(Cl)cc(Br)c1 ZINC000234392378 348220569 /nfs/dbraw/zinc/22/05/69/348220569.db2.gz NVZOHKOLZJPJTB-JTQLQIEISA-N 1 0 258.546 2.996 10 30 CFEERO C=C(C)C[C@H]([NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000229738150 348203112 /nfs/dbraw/zinc/20/31/12/348203112.db2.gz SPRCIHWAYZLLSK-NSHDSACASA-N 1 0 251.326 2.678 10 30 CFEERO CCN(CC[N@H+](C)Cc1ccc(F)cc1)C[C@H](C)C#N ZINC000245407524 348253057 /nfs/dbraw/zinc/25/30/57/348253057.db2.gz BMBLZMWQZAZFKP-CQSZACIVSA-N 1 0 277.387 2.739 10 30 CFEERO C[C@H]([NH3+])C[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000320485420 348436471 /nfs/dbraw/zinc/43/64/71/348436471.db2.gz HKVLILXCQSEDFL-YUMQZZPRSA-N 1 0 272.274 2.510 10 30 CFEERO N#Cc1ccc(Cl)cc1N1CCCCC[C@H]([NH3+])C1 ZINC000600959244 350637337 /nfs/dbraw/zinc/63/73/37/350637337.db2.gz UUGWIARNHSPXMT-ZDUSSCGKSA-N 1 0 263.772 2.919 10 30 CFEERO N#Cc1ccc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000600952559 350636052 /nfs/dbraw/zinc/63/60/52/350636052.db2.gz ZPIARCQSANAYAA-WCQYABFASA-N 1 0 283.297 2.522 10 30 CFEERO C[C@H]1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C[NH2+]1 ZINC000600954753 350636349 /nfs/dbraw/zinc/63/63/49/350636349.db2.gz HMFRYPKPPZMEAA-WPRPVWTQSA-N 1 0 284.285 2.524 10 30 CFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000602607946 350943487 /nfs/dbraw/zinc/94/34/87/350943487.db2.gz NSYMQRWHUMVZJB-LXFSFDBISA-N 1 0 260.381 2.616 10 30 CFEERO N#Cc1ccc([C@H]2C[NH2+]CCN2Cc2ccccc2)cc1 ZINC000616636398 352393996 /nfs/dbraw/zinc/39/39/96/352393996.db2.gz MEZQNIKOWAIUNX-GOSISDBHSA-N 1 0 277.371 2.705 10 30 CFEERO C=CCC[C@@H](O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181552571 189300660 /nfs/dbraw/zinc/30/06/60/189300660.db2.gz CWZDIZZKARXJIW-HUUCEWRRSA-N 1 0 278.352 2.963 10 30 CFEERO C[C@H]1C[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181688683 189304237 /nfs/dbraw/zinc/30/42/37/189304237.db2.gz RONMNWSUGRRQHU-SUMWQHHRSA-N 1 0 269.392 2.521 10 30 CFEERO COc1ccc([C@H](CNc2ccc(C#N)nc2)[NH+](C)C)cc1 ZINC000301578241 201076812 /nfs/dbraw/zinc/07/68/12/201076812.db2.gz MZUSAHIQIWTQNL-KRWDZBQOSA-N 1 0 296.374 2.677 10 30 CFEERO CCC[N@@H+]1CCCN(c2cc(C#N)ccc2C(C)=O)CC1 ZINC000302112014 201345022 /nfs/dbraw/zinc/34/50/22/201345022.db2.gz PVXDNVPYMUWHNJ-UHFFFAOYSA-N 1 0 285.391 2.683 10 30 CFEERO CC[NH+](CC)[C@@H](C)CNc1cc(C#N)ccc1C(C)=O ZINC000302134844 201358612 /nfs/dbraw/zinc/35/86/12/201358612.db2.gz ZMPFCUHNGQTLBC-LBPRGKRZSA-N 1 0 273.380 2.903 10 30 CFEERO N#Cc1c(F)cccc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201108 373796984 /nfs/dbraw/zinc/79/69/84/373796984.db2.gz CYUOSFUUEKMHEB-HNNXBMFYSA-N 1 0 273.355 2.666 10 30 CFEERO C=CCC[C@@H](C[NH+]1CCSCC1)Oc1ccc(C)nn1 ZINC000072421392 374252001 /nfs/dbraw/zinc/25/20/01/374252001.db2.gz VAGWQYLUKOGJKX-AWEZNQCLSA-N 1 0 293.436 2.547 10 30 CFEERO N#Cc1cc(Cl)ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000083420612 374744561 /nfs/dbraw/zinc/74/45/61/374744561.db2.gz OABXLAZPXJPWDD-CQSZACIVSA-N 1 0 275.783 2.886 10 30 CFEERO CCCCCCCCCCCC[NH2+]C[C@H](O)CO ZINC000100311032 375618091 /nfs/dbraw/zinc/61/80/91/375618091.db2.gz VWGWFMQZURGKKK-HNNXBMFYSA-N 1 0 259.434 2.850 10 30 CFEERO N#Cc1ccccc1OCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114201803 376051966 /nfs/dbraw/zinc/05/19/66/376051966.db2.gz PJPSIRBMTOXRDU-MRXNPFEDSA-N 1 0 296.374 2.887 10 30 CFEERO C[C@]1(CNc2nc(C(F)(F)F)ccc2C#N)CCC[NH2+]C1 ZINC000129401384 377422425 /nfs/dbraw/zinc/42/24/25/377422425.db2.gz QWXSKYMECWXCLF-ZDUSSCGKSA-N 1 0 298.312 2.774 10 30 CFEERO N#Cc1cccc(NCC[NH2+]C2CCCCCC2)n1 ZINC000130129117 377511613 /nfs/dbraw/zinc/51/16/13/377511613.db2.gz MTFGGHUAQGOZAY-UHFFFAOYSA-N 1 0 258.369 2.678 10 30 CFEERO C[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CCS1 ZINC000131389371 377704712 /nfs/dbraw/zinc/70/47/12/377704712.db2.gz NMMDJKQXXGGBAG-AWEZNQCLSA-N 1 0 289.448 2.974 10 30 CFEERO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000132467888 377843606 /nfs/dbraw/zinc/84/36/06/377843606.db2.gz DYNUNEOIZQZFMO-VHSXEESVSA-N 1 0 283.297 2.751 10 30 CFEERO C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000153314331 378486372 /nfs/dbraw/zinc/48/63/72/378486372.db2.gz BEMSSGAOAPRWDA-SJORKVTESA-N 1 0 286.419 2.761 10 30 CFEERO C[C@@H]1CCN(c2c(C#N)cnc3ccccc32)C[C@@H]1C[NH3+] ZINC000163982644 379001026 /nfs/dbraw/zinc/00/10/26/379001026.db2.gz XQZXNUSPTQTXOV-OCCSQVGLSA-N 1 0 280.375 2.528 10 30 CFEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1cccc(Br)c1C#N ZINC000169111781 379102443 /nfs/dbraw/zinc/10/24/43/379102443.db2.gz DXCLYICNDCDOTR-CABZTGNLSA-N 1 0 294.196 2.873 10 30 CFEERO N#Cc1ccc(N[C@@H]2CC[C@@H](C[NH3+])C2)c(Br)c1 ZINC000335576292 379540538 /nfs/dbraw/zinc/54/05/38/379540538.db2.gz ASAFRVCSOFFIMG-MWLCHTKSSA-N 1 0 294.196 2.860 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C#N)cc1 ZINC000176255544 380202706 /nfs/dbraw/zinc/20/27/06/380202706.db2.gz NWOUYOYWPREYRR-OAHLLOKOSA-N 1 0 286.379 2.506 10 30 CFEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC#Cc1ccc(Cl)cc1 ZINC000177171787 380310475 /nfs/dbraw/zinc/31/04/75/380310475.db2.gz OTXMMJKTZVVUQQ-RHSMWYFYSA-N 1 0 288.822 2.860 10 30 CFEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000180133975 380623759 /nfs/dbraw/zinc/62/37/59/380623759.db2.gz UBCXBKHRBATYNW-HNNXBMFYSA-N 1 0 274.412 2.986 10 30 CFEERO C#C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000301017166 382066739 /nfs/dbraw/zinc/06/67/39/382066739.db2.gz ZVXOLCVWEVASLL-HUUCEWRRSA-N 1 0 294.439 2.881 10 30 CFEERO C[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000302265970 382233762 /nfs/dbraw/zinc/23/37/62/382233762.db2.gz FWFPCTLYHUPNCG-QMTHXVAHSA-N 1 0 297.324 2.963 10 30 CFEERO C[C@H]([NH3+])C#Cc1c(Cl)cccc1Br ZINC000306883412 382461474 /nfs/dbraw/zinc/46/14/74/382461474.db2.gz KCYQYFYALJOEON-ZETCQYMHSA-N 1 0 258.546 2.801 10 30 CFEERO C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000307606899 382468311 /nfs/dbraw/zinc/46/83/11/382468311.db2.gz DRBDPRYXRLYAOQ-UWVGGRQHSA-N 1 0 262.781 2.630 10 30 CFEERO Cc1ccc([C@@H](C)NCC(=O)Nc2sccc2C#N)o1 ZINC000193639593 382721787 /nfs/dbraw/zinc/72/17/87/382721787.db2.gz KSMHDQZNNYUFJF-SNVBAGLBSA-N 1 0 289.360 2.811 10 30 CFEERO N#Cc1cccc(N[C@H](CCC[NH3+])c2ccccc2)n1 ZINC000336832523 382727001 /nfs/dbraw/zinc/72/70/01/382727001.db2.gz FQZQHIFODYGNPF-OAHLLOKOSA-N 1 0 266.348 2.845 10 30 CFEERO N#Cc1ccc(N[C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000336836456 382729383 /nfs/dbraw/zinc/72/93/83/382729383.db2.gz KUJQKAOIDRXNJF-MRXNPFEDSA-N 1 0 266.348 2.845 10 30 CFEERO C/C=C\C(=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000575242682 382732364 /nfs/dbraw/zinc/73/23/64/382732364.db2.gz DVYLYGZYGRLKGW-DJWKRKHSSA-N 1 0 259.349 2.920 10 30 CFEERO C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000245648658 383018739 /nfs/dbraw/zinc/01/87/39/383018739.db2.gz GOGXXQXEIQQAEL-ZIAGYGMSSA-N 1 0 267.417 2.515 10 30 CFEERO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246490514 383079026 /nfs/dbraw/zinc/07/90/26/383079026.db2.gz ZKOWDYMGMYKIIT-XJKSGUPXSA-N 1 0 280.375 2.842 10 30 CFEERO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000248623662 383273243 /nfs/dbraw/zinc/27/32/43/383273243.db2.gz MXCJOGOLYRIUPQ-CVEARBPZSA-N 1 0 296.455 2.548 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1C ZINC000249153246 383331836 /nfs/dbraw/zinc/33/18/36/383331836.db2.gz YVHLJEIZMWBTBG-MSOLQXFVSA-N 1 0 283.419 2.925 10 30 CFEERO N#Cc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1F ZINC000248824286 383294074 /nfs/dbraw/zinc/29/40/74/383294074.db2.gz GLVBWMNZWDQWSG-DOTOQJQBSA-N 1 0 288.366 2.824 10 30 CFEERO O[C@@]12CCCC[C@@H]1C[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000157181785 285346792 /nfs/dbraw/zinc/34/67/92/285346792.db2.gz TZRLBVVFBXFMQN-SJLPKXTDSA-N 1 0 287.378 2.804 10 30 CFEERO Cc1cc(C#N)ccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000186216220 393541405 /nfs/dbraw/zinc/54/14/05/393541405.db2.gz IITJNELRPXQYBX-UHFFFAOYSA-N 1 0 294.402 2.975 10 30 CFEERO N#Cc1ccc(N2CCCC[C@@H]2C[NH3+])cc1C(F)(F)F ZINC000044559336 393565478 /nfs/dbraw/zinc/56/54/78/393565478.db2.gz FWPZNOXJDPPGRU-GFCCVEGCSA-N 1 0 283.297 2.895 10 30 CFEERO C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000094342701 393808006 /nfs/dbraw/zinc/80/80/06/393808006.db2.gz ABXFKFVSDVPLHY-ZANVPECISA-N 1 0 283.297 2.751 10 30 CFEERO CCO[C@H]1C[C@H]([N@H+](C)CCCC#N)C12CCCC2 ZINC000121163888 393950870 /nfs/dbraw/zinc/95/08/70/393950870.db2.gz SZJGZEOXFYKKQN-KBPBESRZSA-N 1 0 250.386 2.960 10 30 CFEERO C[C@H]1CCN(c2c(C#N)cnc3ccccc32)C[C@@H]1C[NH3+] ZINC000163982769 394369339 /nfs/dbraw/zinc/36/93/39/394369339.db2.gz XQZXNUSPTQTXOV-JSGCOSHPSA-N 1 0 280.375 2.528 10 30 CFEERO N#Cc1cc(F)ccc1NC(=[NH2+])NCc1ccccc1 ZINC000306230254 397640066 /nfs/dbraw/zinc/64/00/66/397640066.db2.gz KMHAZXUUDXHQBA-UHFFFAOYSA-N 1 0 268.295 2.834 10 30 CFEERO CN(C)C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000020129382 171016903 /nfs/dbraw/zinc/01/69/03/171016903.db2.gz OPOHOVOOFRTIDT-GOSISDBHSA-N 1 0 279.387 2.951 10 30 CFEERO C[NH+](C)CCN[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000020177166 171042798 /nfs/dbraw/zinc/04/27/98/171042798.db2.gz ILTDIYFSEZZGID-NSHDSACASA-N 1 0 272.179 2.709 10 30 CFEERO C[N@H+](CC/C(N)=N/O)Cc1ccc(Cl)c(Cl)c1 ZINC000020521707 171234949 /nfs/dbraw/zinc/23/49/49/171234949.db2.gz GKIYEGXUGIBMJM-UHFFFAOYSA-N 1 0 276.167 2.562 10 30 CFEERO C#CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000037184916 173016858 /nfs/dbraw/zinc/01/68/58/173016858.db2.gz VTRAONLAXACHPV-LBPRGKRZSA-N 1 0 280.165 2.886 10 30 CFEERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037386234 173169202 /nfs/dbraw/zinc/16/92/02/173169202.db2.gz FGEWEDZFNUKHGS-VIFPVBQESA-N 1 0 265.744 2.538 10 30 CFEERO CC[C@@H]([NH3+])Cc1ccc(OC)c(OCCCC#N)c1 ZINC000037728305 173647820 /nfs/dbraw/zinc/64/78/20/173647820.db2.gz WBJLODJYVGQHDJ-CYBMUJFWSA-N 1 0 262.353 2.658 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000659330206 414500180 /nfs/dbraw/zinc/50/01/80/414500180.db2.gz VQHDXNBBDWOHSS-QPSCCSFWSA-N 1 0 264.413 2.755 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000659331832 414500546 /nfs/dbraw/zinc/50/05/46/414500546.db2.gz QZJWGJPGOLXQGE-KFWWJZLASA-N 1 0 264.413 2.627 10 30 CFEERO C=C(Br)CNC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040669346 174368119 /nfs/dbraw/zinc/36/81/19/174368119.db2.gz QUTLVCVYHACOPU-WCQYABFASA-N 1 0 289.261 2.995 10 30 CFEERO CCN(c1ccc(C#N)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748834 174393547 /nfs/dbraw/zinc/39/35/47/174393547.db2.gz XIOZNKHYJUHFMI-PBWFPOADSA-N 1 0 273.355 2.807 10 30 CFEERO COc1cc(C#N)ccc1O[C@@H](C[NH3+])c1ccccc1 ZINC000042899665 174905443 /nfs/dbraw/zinc/90/54/43/174905443.db2.gz UVKLEHNCVKLZGV-INIZCTEOSA-N 1 0 268.316 2.646 10 30 CFEERO COc1ccc([C@H](C[NH3+])Oc2cccc(C#N)c2)cc1 ZINC000042963284 174927982 /nfs/dbraw/zinc/92/79/82/174927982.db2.gz VLACOVYWAHEVBO-INIZCTEOSA-N 1 0 268.316 2.646 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1C#N)c1ccccn1 ZINC000043342570 175015908 /nfs/dbraw/zinc/01/59/08/175015908.db2.gz SVXOSHLSEVGORP-CJNGLKHVSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1ccccc1C#N)c1cccnc1 ZINC000043349999 175019400 /nfs/dbraw/zinc/01/94/00/175019400.db2.gz FCIJTLJHDQDCSP-GOEBONIOSA-N 1 0 267.332 2.811 10 30 CFEERO Cc1ccc([C@@H](Oc2ccc(C#N)cc2)[C@@H](C)[NH3+])o1 ZINC000043366039 175027170 /nfs/dbraw/zinc/02/71/70/175027170.db2.gz LIPXTGSTCPPPFZ-ABAIWWIYSA-N 1 0 256.305 2.927 10 30 CFEERO CCOc1cc(C[NH2+]C(C)C)ccc1O[C@H](C)C#N ZINC000043513466 175061597 /nfs/dbraw/zinc/06/15/97/175061597.db2.gz WQODXEBYTXESKQ-GFCCVEGCSA-N 1 0 262.353 2.874 10 30 CFEERO C[C@H](C#N)Oc1c(Br)cccc1C[NH2+]C1CC1 ZINC000043513849 175061765 /nfs/dbraw/zinc/06/17/65/175061765.db2.gz CKNDQBUVPYFAQJ-SECBINFHSA-N 1 0 295.180 2.992 10 30 CFEERO C[C@@H]([NH3+])Cc1cccc(Br)c1O[C@@H](C)C#N ZINC000043518866 175061884 /nfs/dbraw/zinc/06/18/84/175061884.db2.gz OCZVVVSGBTUTJJ-BDAKNGLRSA-N 1 0 283.169 2.630 10 30 CFEERO CC[C@H]([NH3+])Cc1cc(Cl)ccc1O[C@@H](C)C#N ZINC000043518653 175061909 /nfs/dbraw/zinc/06/19/09/175061909.db2.gz ZVQLWRUCQVXLFD-CABZTGNLSA-N 1 0 252.745 2.911 10 30 CFEERO C[C@H](C#N)Oc1ccc(Br)cc1C[C@H](C)[NH3+] ZINC000043518629 175062030 /nfs/dbraw/zinc/06/20/30/175062030.db2.gz QKQHQAGGANYTND-DTWKUNHWSA-N 1 0 283.169 2.630 10 30 CFEERO CCCOc1ccc(C[C@@H](C)[NH3+])c(O[C@@H](C)C#N)c1 ZINC000043518468 175062031 /nfs/dbraw/zinc/06/20/31/175062031.db2.gz MQYSMIBFEZVRPS-NEPJUHHUSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@H]([NH3+])Cc1cc(Cl)c(O[C@H](C)C#N)c(OC)c1 ZINC000043518541 175062125 /nfs/dbraw/zinc/06/21/25/175062125.db2.gz ZIXWJDVBIAPNKF-KOLCDFICSA-N 1 0 282.771 2.919 10 30 CFEERO CC[C@@H]([NH3+])Cc1cccc(OC)c1O[C@@H](C#N)CC ZINC000043543623 175064203 /nfs/dbraw/zinc/06/42/03/175064203.db2.gz FHRSJSATHMLFDF-CHWSQXEVSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@H](C#N)Oc1ccc(Cl)cc1C[C@H](C)[NH3+] ZINC000043543579 175064289 /nfs/dbraw/zinc/06/42/89/175064289.db2.gz QHXRWQNBBUDJAF-JOYOIKCWSA-N 1 0 252.745 2.911 10 30 CFEERO CC(C)C[C@H](C)N(C)C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043583160 175070357 /nfs/dbraw/zinc/07/03/57/175070357.db2.gz JTCRUGGNXYKMDU-ZDUSSCGKSA-N 1 0 290.382 2.643 10 30 CFEERO Cc1c(F)cc(C#N)cc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000043588799 175073233 /nfs/dbraw/zinc/07/32/33/175073233.db2.gz IEUVWBVHKDSHOU-GFCCVEGCSA-N 1 0 289.354 2.724 10 30 CFEERO Cc1sc(NC(=O)CC[C@@H]2CCC[NH2+]C2)c(C#N)c1C ZINC000043591263 175073815 /nfs/dbraw/zinc/07/38/15/175073815.db2.gz WQAKWWBWASCQNE-LBPRGKRZSA-N 1 0 291.420 2.955 10 30 CFEERO CCc1ccc(C(=O)NCc2ccc(C#CC[NH3+])cc2)s1 ZINC000043640341 175084655 /nfs/dbraw/zinc/08/46/55/175084655.db2.gz OWHMYSLISFWXEX-UHFFFAOYSA-N 1 0 298.411 2.551 10 30 CFEERO CC[C@H]1CCC[N@H+](Cc2ccc(C#CCO)s2)C1 ZINC000043677847 175089059 /nfs/dbraw/zinc/08/90/59/175089059.db2.gz ARSQBCKTPNFNLN-ZDUSSCGKSA-N 1 0 263.406 2.714 10 30 CFEERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C#CCO)s1 ZINC000043679263 175089638 /nfs/dbraw/zinc/08/96/38/175089638.db2.gz QAUOKEYJRBHYBJ-CHWSQXEVSA-N 1 0 263.406 2.855 10 30 CFEERO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#CCO)s1 ZINC000043679425 175090699 /nfs/dbraw/zinc/09/06/99/175090699.db2.gz OMHPFXHXQINFQB-ZDUSSCGKSA-N 1 0 263.406 2.856 10 30 CFEERO CC(C)N(Cc1cc(C#CC[NH3+])cs1)CC(F)(F)F ZINC000043689136 175096218 /nfs/dbraw/zinc/09/62/18/175096218.db2.gz HBPRKXMETRDIGI-UHFFFAOYSA-N 1 0 290.354 2.831 10 30 CFEERO [NH3+]CC#Cc1csc(COCc2ccccc2)c1 ZINC000043689225 175096247 /nfs/dbraw/zinc/09/62/47/175096247.db2.gz FKGYZYJOWCQLTE-UHFFFAOYSA-N 1 0 257.358 2.775 10 30 CFEERO C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000044387934 175170138 /nfs/dbraw/zinc/17/01/38/175170138.db2.gz LYHYYNLGVRJVDL-CYBMUJFWSA-N 1 0 260.381 2.590 10 30 CFEERO N#Cc1cnc2ccccc2c1NC[C@H]1CCCC[NH2+]1 ZINC000044493496 175181377 /nfs/dbraw/zinc/18/13/77/175181377.db2.gz WRFDZMIZWQJCDN-CYBMUJFWSA-N 1 0 266.348 2.660 10 30 CFEERO C[C@H]([NH2+]C[C@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000044561877 175205969 /nfs/dbraw/zinc/20/59/69/175205969.db2.gz FFQVUVQLCGKHMA-XJKSGUPXSA-N 1 0 257.381 2.693 10 30 CFEERO COc1ccc(C[N@H+](C)CC(C)(C)C)cc1C#CCCO ZINC000045086799 175304024 /nfs/dbraw/zinc/30/40/24/175304024.db2.gz LTYJYEKQUUSNGL-UHFFFAOYSA-N 1 0 289.419 2.907 10 30 CFEERO C#CCOc1c(C[NH2+]C(C)(C)CC)cccc1OC ZINC000045946013 175387797 /nfs/dbraw/zinc/38/77/97/175387797.db2.gz XKSMUNODHIHYLO-UHFFFAOYSA-N 1 0 261.365 2.985 10 30 CFEERO C#CC[NH2+]Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC000045945354 175388129 /nfs/dbraw/zinc/38/81/29/175388129.db2.gz QAIBRIFJRQLLFB-UHFFFAOYSA-N 1 0 267.756 2.860 10 30 CFEERO C[C@@H]1CCC[N@H+](Cc2ccccc2C#CCO)[C@@H]1C ZINC000050566719 175517453 /nfs/dbraw/zinc/51/74/53/175517453.db2.gz XGYROYKSHSZOCO-HUUCEWRRSA-N 1 0 257.377 2.651 10 30 CFEERO C=C[C@@H](C)Oc1cc2c(cc1C[C@@H]([NH3+])CC)OCO2 ZINC000052144460 175532710 /nfs/dbraw/zinc/53/27/10/175532710.db2.gz QQOWIZMKHMHKOV-PWSUYJOCSA-N 1 0 263.337 2.648 10 30 CFEERO C=CC[NH2+]C[C@H](C)N(C)[C@@H](C)c1ccccc1F ZINC000062020975 175660717 /nfs/dbraw/zinc/66/07/17/175660717.db2.gz QIFJLMYCUGZGOV-STQMWFEESA-N 1 0 250.361 2.983 10 30 CFEERO C[NH+](C)CCN1C(=O)c2c(ccc(Cl)c2Cl)C1C#N ZINC000071681850 176245253 /nfs/dbraw/zinc/24/52/53/176245253.db2.gz VBRUOFXXESLUOE-SNVBAGLBSA-N 1 0 298.173 2.575 10 30 CFEERO C=C[C@@](C)(CC)C(=O)N1CCN(CCOCC)[C@H](CC)C1 ZINC000249111398 261246832 /nfs/dbraw/zinc/24/68/32/261246832.db2.gz RLDUDDYDZRLZCN-WBVHZDCISA-N 1 0 296.455 2.548 10 30 CFEERO Clc1ccc(C#CCN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000177255163 261340905 /nfs/dbraw/zinc/34/09/05/261340905.db2.gz VRIVDNYXRKIDFH-QGZVFWFLSA-N 1 0 288.822 2.862 10 30 CFEERO Cc1cc(N2CCC([NH+]3CCCC3)CC2)c(C#N)c(C)n1 ZINC000301668736 274703550 /nfs/dbraw/zinc/70/35/50/274703550.db2.gz MWBPLOHOUOQKTA-UHFFFAOYSA-N 1 0 284.407 2.635 10 30 CFEERO C[NH2+]CC1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000063166347 277265190 /nfs/dbraw/zinc/26/51/90/277265190.db2.gz DHDJBIFYGFOAKI-UHFFFAOYSA-N 1 0 280.375 2.542 10 30 CFEERO C[C@@H]([NH3+])[C@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000070174902 278317826 /nfs/dbraw/zinc/31/78/26/278317826.db2.gz CDIRPLOLIDLPOC-OLZOCXBDSA-N 1 0 280.375 2.670 10 30 CFEERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000216227147 278890963 /nfs/dbraw/zinc/89/09/63/278890963.db2.gz FMSXZXNBSLMPFJ-ZJUUUORDSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)C[NH2+]1 ZINC000122654949 279881049 /nfs/dbraw/zinc/88/10/49/279881049.db2.gz JJMLIWKKCFBSOT-UWVGGRQHSA-N 1 0 283.297 2.764 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1snc(Cl)c1C#N ZINC000271323569 281196046 /nfs/dbraw/zinc/19/60/46/281196046.db2.gz KNPSKYQGIYVELA-VHSXEESVSA-N 1 0 296.827 2.731 10 30 CFEERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccc(C#N)cc1 ZINC000037749439 290042570 /nfs/dbraw/zinc/04/25/70/290042570.db2.gz QUHOLUDEABMYEL-RCBQFDQVSA-N 1 0 258.365 2.902 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261653457 294877089 /nfs/dbraw/zinc/87/70/89/294877089.db2.gz JXIRQEJAVNWDNJ-CQSZACIVSA-N 1 0 295.308 2.767 10 30 CFEERO N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1 ZINC000333948704 303167114 /nfs/dbraw/zinc/16/71/14/303167114.db2.gz WOKDRLZYBRACTF-ZDRJDWQYSA-N 1 0 297.402 2.678 10 30 CFEERO N#Cc1cccc(Cl)c1N1CCC2(C1)CC[NH2+]CC2 ZINC000335302095 303203701 /nfs/dbraw/zinc/20/37/01/303203701.db2.gz UVVYNCLEPUCKCD-UHFFFAOYSA-N 1 0 275.783 2.792 10 30 CFEERO C[C@@H]1CC[NH2+]C[C@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000389780522 324520690 /nfs/dbraw/zinc/52/06/90/324520690.db2.gz DOCFTHIEXCTLJK-IAQYHMDHSA-N 1 0 266.348 2.516 10 30 CFEERO CCn1cnnc1C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174851473 329163959 /nfs/dbraw/zinc/16/39/59/329163959.db2.gz ABRAAORLVOCRFX-UHFFFAOYSA-N 1 0 289.427 2.807 10 30 CFEERO Cc1cccc(NC(=[NH2+])NCc2nnc(C(C)C)s2)c1 ZINC000262335942 330006840 /nfs/dbraw/zinc/00/68/40/330006840.db2.gz BVKUKKLLCIJJEX-UHFFFAOYSA-N 1 0 289.408 2.897 10 30 CFEERO CC[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262360121 330010615 /nfs/dbraw/zinc/01/06/15/330010615.db2.gz GPHAIEIVMLUHCK-LXTVHRRPSA-N 1 0 295.471 2.790 10 30 CFEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@@H](c2ccccc2)C1 ZINC000262451093 330014005 /nfs/dbraw/zinc/01/40/05/330014005.db2.gz JXABBWKTZGAHEM-HUUCEWRRSA-N 1 0 271.408 2.850 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N(C)Cc1ccccc1Cl ZINC000262524491 330019470 /nfs/dbraw/zinc/01/94/70/330019470.db2.gz GCHNBUXBCUUKLQ-ZWNOBZJWSA-N 1 0 265.788 2.756 10 30 CFEERO CC[NH+]=C(NCCc1ccc2ccccc2n1)N[C@@H]1C[C@H]1C ZINC000262832310 330034766 /nfs/dbraw/zinc/03/47/66/330034766.db2.gz RTOWYLFFHYCTIG-CXAGYDPISA-N 1 0 296.418 2.741 10 30 CFEERO C[NH+]=C(NCc1nccc2ccccc21)NC(C)(C)C ZINC000263242504 330050465 /nfs/dbraw/zinc/05/04/65/330050465.db2.gz LTOVTRGYKAACNH-UHFFFAOYSA-N 1 0 270.380 2.698 10 30 CFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000217456852 333121020 /nfs/dbraw/zinc/12/10/20/333121020.db2.gz LXRNXOKAPUWRQT-KSZLIROESA-N 1 0 283.419 2.933 10 30 CFEERO C=CCCC[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191980184 333228011 /nfs/dbraw/zinc/22/80/11/333228011.db2.gz UPBWCTWPVOUOCD-UHFFFAOYSA-N 1 0 296.455 2.691 10 30 CFEERO C=CCCCCC[N@H+]1CCN(CCOCC)[C@@H](C)C1 ZINC000193336368 333248215 /nfs/dbraw/zinc/24/82/15/333248215.db2.gz XCEZSEURFZQIQP-INIZCTEOSA-N 1 0 268.445 2.775 10 30 CFEERO CCCCCOCc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049611070 520245875 /nfs/dbraw/zinc/24/58/75/520245875.db2.gz RZIMQYLAZWVACR-UHFFFAOYSA-N 1 0 261.365 2.712 10 30 CFEERO CCC(CC)[N@H+](C)CCOc1cccc(C#CCO)c1 ZINC000049618648 521541795 /nfs/dbraw/zinc/54/17/95/521541795.db2.gz CVSYWIFSJJECPC-UHFFFAOYSA-N 1 0 275.392 2.530 10 30 CFEERO C=CCSc1ccccc1NC(=O)[C@@H](C)[NH2+]C ZINC000052395673 519079067 /nfs/dbraw/zinc/07/90/67/519079067.db2.gz WGZHZIUDFNBKDS-SNVBAGLBSA-N 1 0 250.367 2.511 10 30 CFEERO CC#CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC ZINC000051665547 519344762 /nfs/dbraw/zinc/34/47/62/519344762.db2.gz PGUWAHNMUFXZMM-AWEZNQCLSA-N 1 0 261.365 2.638 10 30 CFEERO CC(C)CC[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000069235786 519681877 /nfs/dbraw/zinc/68/18/77/519681877.db2.gz YDGOKAPHMTZAHE-GFCCVEGCSA-N 1 0 278.421 2.613 10 30 CFEERO CC(C)C[C@@H](C[NH3+])Nc1ncc(Br)cc1C#N ZINC000310100229 519776448 /nfs/dbraw/zinc/77/64/48/519776448.db2.gz XHWDNBBIDOIFBD-NSHDSACASA-N 1 0 297.200 2.501 10 30 CFEERO CC(C)[C@H]([NH3+])CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000164095759 519817883 /nfs/dbraw/zinc/81/78/83/519817883.db2.gz AAXMDZILZSFGAL-GFCCVEGCSA-N 1 0 271.286 2.972 10 30 CFEERO CCCC1CCN(C(=O)c2cccc(C#CC[NH3+])c2)CC1 ZINC000050907102 519900264 /nfs/dbraw/zinc/90/02/64/519900264.db2.gz XTKOQXJUTFNUFK-UHFFFAOYSA-N 1 0 284.403 2.649 10 30 CFEERO CC[NH2+]CC1CCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC000261867085 519914504 /nfs/dbraw/zinc/91/45/04/519914504.db2.gz YOHUAFBRAOFAQP-UHFFFAOYSA-N 1 0 292.814 2.741 10 30 CFEERO CCCCC[C@@H](C)NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000049105950 520286936 /nfs/dbraw/zinc/28/69/36/520286936.db2.gz IMTYETPTCCBQJU-CYBMUJFWSA-N 1 0 290.382 2.835 10 30 CFEERO CCCC[N@H+](Cc1ccccc1C#CCO)C1CC1 ZINC000049613877 520543984 /nfs/dbraw/zinc/54/39/84/520543984.db2.gz AOCOKDHORDXZHG-UHFFFAOYSA-N 1 0 257.377 2.795 10 30 CFEERO C[NH2+]Cc1cccc(Oc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000069331054 522134701 /nfs/dbraw/zinc/13/47/01/522134701.db2.gz USAYCFMAFGVPJP-UHFFFAOYSA-N 1 0 283.287 2.978 10 30 CFEERO CC[C@H](NC(=O)c1cccc(C#CC[NH3+])c1)c1cccs1 ZINC000049533325 522538062 /nfs/dbraw/zinc/53/80/62/522538062.db2.gz GSAGFHBZMSIEPF-HNNXBMFYSA-N 1 0 298.411 2.939 10 30 CFEERO CC[C@H]1CCC[N@@H+]1Cc1cccc(C#CCCO)c1 ZINC000049615169 523107196 /nfs/dbraw/zinc/10/71/96/523107196.db2.gz SRQJOVRUIDUZIN-KRWDZBQOSA-N 1 0 257.377 2.795 10 30 CFEERO CC[C@@H]1CCCC[N@@H+]1CCOc1cccc(C#CCO)c1 ZINC000049617472 523173863 /nfs/dbraw/zinc/17/38/63/523173863.db2.gz MJJZNHVWBGAEKN-QGZVFWFLSA-N 1 0 287.403 2.674 10 30 CFEERO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#CCO ZINC000049617503 523178509 /nfs/dbraw/zinc/17/85/09/523178509.db2.gz IVDHOMRLXHJQLV-QGZVFWFLSA-N 1 0 275.367 2.934 10 30 CFEERO C[N@H+](Cc1ccc(F)cc1C#CCCO)C1CCCC1 ZINC000049617554 523253812 /nfs/dbraw/zinc/25/38/12/523253812.db2.gz UPIUJWSAAZBKHR-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C#N)ccc1F ZINC000245435846 523318537 /nfs/dbraw/zinc/31/85/37/523318537.db2.gz QOYYTCGLUDTBRV-HOTGVXAUSA-N 1 0 287.382 2.756 10 30 CFEERO C[N@H+](Cc1ccccc1)Cc1cccc(C#CCO)c1 ZINC000049616321 523345933 /nfs/dbraw/zinc/34/59/33/523345933.db2.gz XUUQPCIVUWIEFK-UHFFFAOYSA-N 1 0 265.356 2.662 10 30 CFEERO COc1ccc(C#CCCO)cc1C[N@H+](C)[C@@H](C)C(C)C ZINC000049618555 523509914 /nfs/dbraw/zinc/50/99/14/523509914.db2.gz RDKMJUUELNAJEU-HNNXBMFYSA-N 1 0 289.419 2.905 10 30 CFEERO CN(c1ccc(C#N)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000061850731 523633760 /nfs/dbraw/zinc/63/37/60/523633760.db2.gz DXFUZDNDEDVUFQ-UHFFFAOYSA-N 1 0 263.772 2.742 10 30 CFEERO C[NH+](C)CC#CCCC(=O)[C@@](O)(c1ccccc1)C1CCC1 ZINC000005957414 524041502 /nfs/dbraw/zinc/04/15/02/524041502.db2.gz BCOZTAXOTDBLEA-LJQANCHMSA-N 1 0 299.414 2.589 10 30 CFEERO C[C@H]1CCC[N@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000049616007 524092994 /nfs/dbraw/zinc/09/29/94/524092994.db2.gz JTRMQJMFHLCXFN-HNNXBMFYSA-N 1 0 257.377 2.652 10 30 CFEERO COc1ccc(COCc2ccccc2C#CC[NH3+])cc1 ZINC000049610857 524117800 /nfs/dbraw/zinc/11/78/00/524117800.db2.gz OMKHUTXTJJAJHS-UHFFFAOYSA-N 1 0 281.355 2.722 10 30 CFEERO C[C@@H]1CCC[N@H+](CCOc2cccc(C#CCCO)c2)C1 ZINC000049615985 524230960 /nfs/dbraw/zinc/23/09/60/524230960.db2.gz LGVAORPWOVQZSU-MRXNPFEDSA-N 1 0 287.403 2.531 10 30 CFEERO C[C@H]([NH3+])[C@H]1CCCCN1c1c(C#N)cnc2ccccc21 ZINC000063196634 524858119 /nfs/dbraw/zinc/85/81/19/524858119.db2.gz HEVZFAIFGBXMRL-BLLLJJGKSA-N 1 0 280.375 2.813 10 30 CFEERO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(F)c(C#CCO)c2)C1 ZINC000049616664 524884259 /nfs/dbraw/zinc/88/42/59/524884259.db2.gz KZDPDMQFNHRKSP-KBPBESRZSA-N 1 0 275.367 2.647 10 30 CFEERO C[C@@H](NC(=O)CC[C@@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000050944183 525089948 /nfs/dbraw/zinc/08/99/48/525089948.db2.gz XYGPIMLHWJOSSF-CJNGLKHVSA-N 1 0 285.391 2.658 10 30 CFEERO Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)c(C#N)c(C)n1 ZINC000156578820 525273001 /nfs/dbraw/zinc/27/30/01/525273001.db2.gz DBSHSBLOSASGMK-GFCCVEGCSA-N 1 0 272.396 2.714 10 30 CFEERO Cc1ccc(OCc2ccccc2C#CC[NH3+])cc1 ZINC000049610637 525445308 /nfs/dbraw/zinc/44/53/08/525445308.db2.gz YZBBLGQRWBOHHH-UHFFFAOYSA-N 1 0 251.329 2.884 10 30 CFEERO Cc1ccsc1C(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586778 525825955 /nfs/dbraw/zinc/82/59/55/525825955.db2.gz SUGOUHKQAQXWKH-CYBMUJFWSA-N 1 0 298.411 2.858 10 30 CFEERO Cc1ccc(C#N)cc1NC(=O)CCC[NH2+]C(C)C ZINC000050430453 525997539 /nfs/dbraw/zinc/99/75/39/525997539.db2.gz OFNXOKGTNWJIKA-UHFFFAOYSA-N 1 0 259.353 2.583 10 30 CFEERO N#Cc1ccc(NCCC[NH2+]Cc2cccnc2)c(F)c1 ZINC000063197186 526661816 /nfs/dbraw/zinc/66/18/16/526661816.db2.gz VSIJZZRNBVVROT-UHFFFAOYSA-N 1 0 284.338 2.684 10 30 CFEERO Cc1occc1C[N@@H+](C)Cc1ccc(C#CCCO)cc1 ZINC000049614946 526822995 /nfs/dbraw/zinc/82/29/95/526822995.db2.gz NZYSLKWVAQHUTA-UHFFFAOYSA-N 1 0 283.371 2.954 10 30 CFEERO Cc1occc1C[N@@H+](C)Cc1ccc(C#CCO)cc1 ZINC000049614950 526823927 /nfs/dbraw/zinc/82/39/27/526823927.db2.gz VILKDZLGXCNQSQ-UHFFFAOYSA-N 1 0 269.344 2.564 10 30 CFEERO [NH3+]CC#Cc1c(OC2CCOCC2)ccc2ccccc21 ZINC000069310451 527147158 /nfs/dbraw/zinc/14/71/58/527147158.db2.gz UBICYJSHTCSPJA-UHFFFAOYSA-N 1 0 281.355 2.708 10 30 CFEERO Cc1ncsc1CCOCc1ccc(C#CC[NH3+])cc1 ZINC000049610595 527490063 /nfs/dbraw/zinc/49/00/63/527490063.db2.gz VRGUSVNRFFTYMB-UHFFFAOYSA-N 1 0 286.400 2.521 10 30 CFEERO OCC#Cc1cc(F)ccc1C[NH+]1CCCCCC1 ZINC000049616148 527518731 /nfs/dbraw/zinc/51/87/31/527518731.db2.gz GDNIZCZZCSTFHK-UHFFFAOYSA-N 1 0 261.340 2.546 10 30 CFEERO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(C#CCO)cs2)C1 ZINC000043698480 570261728 /nfs/dbraw/zinc/26/17/28/570261728.db2.gz CUMSSNUXGHVJEA-CHWSQXEVSA-N 1 0 263.406 2.570 10 30 CFEERO C[C@@H](Nc1nc2c(cc1C#N)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000050164306 618082922 /nfs/dbraw/zinc/08/29/22/618082922.db2.gz TZTXADRUZBIVAA-TZMCWYRMSA-N 1 0 284.407 2.632 10 30 CFEERO C[NH2+][C@H](C)CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000261573358 618085498 /nfs/dbraw/zinc/08/54/98/618085498.db2.gz MHUXBOWCMWACGN-MRVPVSSYSA-N 1 0 257.259 2.597 10 30 CFEERO C[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000261658081 618126793 /nfs/dbraw/zinc/12/67/93/618126793.db2.gz FRWYBOSDNPVQDT-BARDWOONSA-N 1 0 293.455 2.544 10 30 CFEERO N#Cc1c(Br)cccc1NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000310217715 618272297 /nfs/dbraw/zinc/27/22/97/618272297.db2.gz FJIMEDZGEKIINM-VHSXEESVSA-N 1 0 294.196 2.860 10 30 CFEERO N#Cc1sc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc1Cl ZINC000236056164 618604530 /nfs/dbraw/zinc/60/45/30/618604530.db2.gz NDRBZITUEAUHBT-SNVBAGLBSA-N 1 0 296.827 2.637 10 30 CFEERO C=CCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000161729769 618612908 /nfs/dbraw/zinc/61/29/08/618612908.db2.gz UXOSCRWTMVAZJE-CYBMUJFWSA-N 1 0 268.401 2.799 10 30 CFEERO CN(CC(C)(C)C[NH3+])c1cc(C#N)c2ccccc2n1 ZINC000093874647 619063356 /nfs/dbraw/zinc/06/33/56/619063356.db2.gz JXZSRAAXCZAWOY-UHFFFAOYSA-N 1 0 268.364 2.528 10 30 CFEERO Cc1ccnc(NC[C@@H]2[NH2+]CCc3ccccc32)c1C#N ZINC000261659203 619192938 /nfs/dbraw/zinc/19/29/38/619192938.db2.gz KHOMBSSBMBYGEA-INIZCTEOSA-N 1 0 278.359 2.561 10 30 CFEERO N#Cc1ccc(NC[C@H]2CC[C@@H]([NH3+])C2)c(Br)c1 ZINC000310395512 619370253 /nfs/dbraw/zinc/37/02/53/619370253.db2.gz LXXCRCUKQBSDCB-WDEREUQCSA-N 1 0 294.196 2.860 10 30 CFEERO C[C@H](Nc1nc2ccccc2cc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000071386061 625510797 /nfs/dbraw/zinc/51/07/97/625510797.db2.gz RLIGSVOTPSEZTI-GXTWGEPZSA-N 1 0 280.375 2.906 10 30 CFEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2nc3ccccc3cc2C#N)C1 ZINC000071386199 625511073 /nfs/dbraw/zinc/51/10/73/625511073.db2.gz DGQFIMCXHNTXKI-TZMCWYRMSA-N 1 0 280.375 2.670 10 30 CFEERO CC(C)[C@@H]([NH3+])CNc1nc2ccccc2cc1C#N ZINC000071386213 625511297 /nfs/dbraw/zinc/51/12/97/625511297.db2.gz IJPRJDDQDOACKK-ZDUSSCGKSA-N 1 0 254.337 2.502 10 30 CFEERO N#Cc1cc2ccccc2nc1NCC1CC[NH2+]CC1 ZINC000071386050 625510415 /nfs/dbraw/zinc/51/04/15/625510415.db2.gz PVGFYAWRNXULES-UHFFFAOYSA-N 1 0 266.348 2.518 10 30 CFEERO CCN1CCC[C@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000171563240 623229709 /nfs/dbraw/zinc/22/97/09/623229709.db2.gz BPFVIYINGLAZJF-HOCLYGCPSA-N 1 0 287.407 2.551 10 30 CFEERO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000061891992 623240259 /nfs/dbraw/zinc/24/02/59/623240259.db2.gz WLXIAOVHEKVFNB-GXTWGEPZSA-N 1 0 293.411 2.668 10 30 CFEERO C[NH2+]CC1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000063166329 623328878 /nfs/dbraw/zinc/32/88/78/623328878.db2.gz QYQMUTWZDOGLMH-UHFFFAOYSA-N 1 0 263.772 2.647 10 30 CFEERO C[NH2+]C[C@@H]1CCCCN1c1ccc(C#N)c(Cl)c1 ZINC000063169411 623330008 /nfs/dbraw/zinc/33/00/08/623330008.db2.gz UKQKFPGKMAFPPK-ZDUSSCGKSA-N 1 0 263.772 2.790 10 30 CFEERO CCCCCCCC[NH+]1CCN(C[C@H](O)CC)CC1 ZINC000173453371 623351828 /nfs/dbraw/zinc/35/18/28/623351828.db2.gz DYSFBDXVFHKDDV-MRXNPFEDSA-N 1 0 270.461 2.735 10 30 CFEERO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000070174828 625279245 /nfs/dbraw/zinc/27/92/45/625279245.db2.gz MMPJAORDQBOFSQ-PWSUYJOCSA-N 1 0 263.772 2.775 10 30 CFEERO CCOc1ccc(CN(C)C(N[C@@H]2C[C@@H]2C)=[NH+]C)cc1 ZINC000073741725 626353094 /nfs/dbraw/zinc/35/30/94/626353094.db2.gz SURHTUMKKGIMCL-SWLSCSKDSA-N 1 0 275.396 2.501 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N(C)Cc1cccc(Cl)c1 ZINC000073780729 626388797 /nfs/dbraw/zinc/38/87/97/626388797.db2.gz KJZOFMFSIHQQHW-GXFFZTMASA-N 1 0 265.788 2.756 10 30 CFEERO C=C(C)C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000122540987 639189243 /nfs/dbraw/zinc/18/92/43/639189243.db2.gz BMFZRBAUZAMANJ-STQMWFEESA-N 1 0 268.401 2.846 10 30 CFEERO CCCCCCCCCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000133584950 646164378 /nfs/dbraw/zinc/16/43/78/646164378.db2.gz QYMWYMGWDWCGKS-CQSZACIVSA-N 1 0 254.418 2.853 10 30 CFEERO C#CCSCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000222108478 647243065 /nfs/dbraw/zinc/24/30/65/647243065.db2.gz BUVLINORQLJPOB-LLVKDONJSA-N 1 0 265.426 2.537 10 30 CFEERO N#Cc1ccc(NC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000124716093 187150056 /nfs/dbraw/zinc/15/00/56/187150056.db2.gz UDTWSTVREVFWKB-NSHDSACASA-N 1 0 294.196 2.732 10 30 CFEERO COc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2C#N)cc1 ZINC000595697749 349707620 /nfs/dbraw/zinc/70/76/20/349707620.db2.gz JWUMNHBXIVEYEX-XJKSGUPXSA-N 1 0 274.364 2.746 10 30 CFEERO C#CC[N@@H+](CCC)[C@H]1CCc2ccc(OC)cc2C1 ZINC000038437431 346338845 /nfs/dbraw/zinc/33/88/45/346338845.db2.gz NYNWHXAFXLJNOS-INIZCTEOSA-N 1 0 257.377 2.898 10 30 CFEERO C=C(C)[C@@H]([NH3+])c1cccc(I)c1 ZINC000131273961 347877457 /nfs/dbraw/zinc/87/74/57/347877457.db2.gz JEAGKLICSULVHY-SNVBAGLBSA-N 1 0 273.117 2.867 10 30 CFEERO CC#CC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000162008137 348028518 /nfs/dbraw/zinc/02/85/18/348028518.db2.gz QZBDGMWLSGKMMD-SNVBAGLBSA-N 1 0 299.155 2.965 10 30 CFEERO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000165473452 348039995 /nfs/dbraw/zinc/03/99/95/348039995.db2.gz FMIKJXPCAFVWSX-INIZCTEOSA-N 1 0 258.365 2.604 10 30 CFEERO N#Cc1c(Br)cccc1NC[C@@H]1CCCC[NH2+]1 ZINC000169057844 348050032 /nfs/dbraw/zinc/05/00/32/348050032.db2.gz VTRUTPHFAGSKLL-JTQLQIEISA-N 1 0 294.196 2.875 10 30 CFEERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000178288765 348119496 /nfs/dbraw/zinc/11/94/96/348119496.db2.gz WQOSBYQLWRFSRH-OAHLLOKOSA-N 1 0 274.412 2.986 10 30 CFEERO C=C(C)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1OC ZINC000229738986 348202829 /nfs/dbraw/zinc/20/28/29/348202829.db2.gz NFBSXOOREZRMMF-LLVKDONJSA-N 1 0 251.326 2.678 10 30 CFEERO C#C[C@H]([NH3+])c1cc(Br)cc(Br)c1 ZINC000236290318 348232755 /nfs/dbraw/zinc/23/27/55/348232755.db2.gz PJFDSDBSIQRROK-VIFPVBQESA-N 1 0 288.970 2.845 10 30 CFEERO C#C[C@H]([NH3+])c1ccc(Br)cc1Br ZINC000236290436 348233112 /nfs/dbraw/zinc/23/31/12/348233112.db2.gz DXEXUHABFLYIDH-VIFPVBQESA-N 1 0 288.970 2.845 10 30 CFEERO C#CC[C@@H]([NH2+]C)c1sccc1I ZINC000306540419 348388759 /nfs/dbraw/zinc/38/87/59/348388759.db2.gz WGWPYDUFBWCIJO-MRVPVSSYSA-N 1 0 291.157 2.637 10 30 CFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000390082633 348542164 /nfs/dbraw/zinc/54/21/64/348542164.db2.gz CZXSEOCSDJGLLP-JKSUJKDBSA-N 1 0 258.365 2.875 10 30 CFEERO C[C@H]1CC(C=O)C[C@H](C)[NH+]1CCOc1ccccc1 ZINC000584883065 348726645 /nfs/dbraw/zinc/72/66/45/348726645.db2.gz GEETVWRSCUSPFZ-KBPBESRZSA-N 1 0 261.365 2.753 10 30 CFEERO CN(C)C(=[NH+]c1ccc(C(F)(F)F)cc1)N(C)C ZINC000584656975 348702908 /nfs/dbraw/zinc/70/29/08/348702908.db2.gz OAGZREMJCPSTBH-UHFFFAOYSA-N 1 0 259.275 2.816 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(C)c(C#N)c1 ZINC000599307973 350411213 /nfs/dbraw/zinc/41/12/13/350411213.db2.gz PJOUGHXJJSWUFE-KRWDZBQOSA-N 1 0 271.408 2.783 10 30 CFEERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)c1 ZINC000105899898 186087570 /nfs/dbraw/zinc/08/75/70/186087570.db2.gz CTRISILTLVHBFK-KRWDZBQOSA-N 1 0 280.375 2.900 10 30 CFEERO CC[C@@H]([NH3+])CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000111304756 186393961 /nfs/dbraw/zinc/39/39/61/186393961.db2.gz VYUCXLHQIFEFBJ-SECBINFHSA-N 1 0 257.259 2.726 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(F)ccc1C#N ZINC000160934547 188499240 /nfs/dbraw/zinc/49/92/40/188499240.db2.gz UCJSWMKLFOBCBP-MRXNPFEDSA-N 1 0 275.371 2.613 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CCC([NH3+])CC1 ZINC000036754932 283092354 /nfs/dbraw/zinc/09/23/54/283092354.db2.gz UHIMTHYMWOTWBA-UHFFFAOYSA-N 1 0 269.270 2.505 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261608948 283092836 /nfs/dbraw/zinc/09/28/36/283092836.db2.gz DMPPKMSYLDVTTA-MFKMUULPSA-N 1 0 295.308 2.765 10 30 CFEERO N#Cc1cc(F)c(N[C@@H]2CCC[C@@H]([NH3+])C2)c(F)c1 ZINC000335581934 283097460 /nfs/dbraw/zinc/09/74/60/283097460.db2.gz NXZZFHDIUGEZCG-NXEZZACHSA-N 1 0 251.280 2.518 10 30 CFEERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000178319796 189106655 /nfs/dbraw/zinc/10/66/55/189106655.db2.gz USPAQYGLUAKIOW-QGZVFWFLSA-N 1 0 280.375 2.728 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1C#N ZINC000180830534 189278173 /nfs/dbraw/zinc/27/81/73/189278173.db2.gz JWXQZDJMLYCACD-DLBZAZTESA-N 1 0 287.382 2.756 10 30 CFEERO Cc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C#N)c(C)n1 ZINC000301807138 201209468 /nfs/dbraw/zinc/20/94/68/201209468.db2.gz YDOWULLCLJTRKF-ZIAGYGMSSA-N 1 0 272.396 2.855 10 30 CFEERO CC(C)(C)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000024165436 372272280 /nfs/dbraw/zinc/27/22/80/372272280.db2.gz IIHATFCIGPSQSM-UHFFFAOYSA-N 1 0 265.744 2.538 10 30 CFEERO COc1ccc2c(c1)[C@]13CC[N@H+](C)[C@H](C2)[C@@H]1C=C(C)C(=O)C3 ZINC000026717589 372326758 /nfs/dbraw/zinc/32/67/58/372326758.db2.gz XZNGKMHNSCKNRJ-YQVWRLOYSA-N 1 0 297.398 2.729 10 30 CFEERO CCCC(CCC)=NOC[C@H](O)C[NH2+]C(C)(C)C ZINC000029342403 372377882 /nfs/dbraw/zinc/37/78/82/372377882.db2.gz GHAKRDPHDJSKPV-CYBMUJFWSA-N 1 0 258.406 2.708 10 30 CFEERO C#CC[NH2+]Cc1cc(Br)ccc1OCCC ZINC000034992254 372525512 /nfs/dbraw/zinc/52/55/12/372525512.db2.gz IJRHYCPAAZAMAA-UHFFFAOYSA-N 1 0 282.181 2.961 10 30 CFEERO C=CCC[C@@H](O)C[N@@H+](CCOC)Cc1ccc(F)cc1 ZINC000036030905 372553588 /nfs/dbraw/zinc/55/35/88/372553588.db2.gz YKNRTKJJILIOJY-MRXNPFEDSA-N 1 0 281.371 2.601 10 30 CFEERO CC(C)c1cc[n+](CC(=O)N(C)c2ccccc2)cc1 ZINC000041124484 372818976 /nfs/dbraw/zinc/81/89/76/372818976.db2.gz BRAFVIIVBMQATC-UHFFFAOYSA-N 1 0 269.368 2.761 10 30 CFEERO C#CCOc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000045945849 373039321 /nfs/dbraw/zinc/03/93/21/373039321.db2.gz OOAPCULLTKHXGY-SFHVURJKSA-N 1 0 281.355 2.522 10 30 CFEERO C=CCC[C@@H](C[NH+]1CCSCC1)Oc1nccc(C)n1 ZINC000072431508 374250747 /nfs/dbraw/zinc/25/07/47/374250747.db2.gz XDKMQNVJWUFNIP-AWEZNQCLSA-N 1 0 293.436 2.547 10 30 CFEERO C=CCC[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000089732600 374943076 /nfs/dbraw/zinc/94/30/76/374943076.db2.gz ILLLZTZJBSRWJM-HOTGVXAUSA-N 1 0 286.423 2.780 10 30 CFEERO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124696591 377076564 /nfs/dbraw/zinc/07/65/64/377076564.db2.gz IGBHZRMHGKAKPI-ZNMIVQPWSA-N 1 0 264.413 2.942 10 30 CFEERO N#Cc1ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000132894249 377885235 /nfs/dbraw/zinc/88/52/35/377885235.db2.gz YOUUDFGSJGAZJR-MSOLQXFVSA-N 1 0 299.418 2.738 10 30 CFEERO C=C(C)CN(CC)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000152403668 378413567 /nfs/dbraw/zinc/41/35/67/378413567.db2.gz GGPBFYLPXMKXCU-OAHLLOKOSA-N 1 0 281.444 2.714 10 30 CFEERO C[C@@H](c1ccc(C#N)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177769303 380377888 /nfs/dbraw/zinc/37/78/88/380377888.db2.gz OKPGMVBJMANTSJ-WMLDXEAASA-N 1 0 269.392 2.789 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C#N)ccc1OC ZINC000180832235 380704662 /nfs/dbraw/zinc/70/46/62/380704662.db2.gz GQIGRMWYVJGDRF-DLBZAZTESA-N 1 0 299.418 2.625 10 30 CFEERO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000181539401 380819852 /nfs/dbraw/zinc/81/98/52/380819852.db2.gz JWILNCJUVVGVOV-ZFWWWQNUSA-N 1 0 287.407 2.654 10 30 CFEERO C[C@H]([NH2+]CCCSCC#N)c1ccc2c(c1)OCCO2 ZINC000181757404 380885071 /nfs/dbraw/zinc/88/50/71/380885071.db2.gz DBKOKUKGUBMSBQ-LBPRGKRZSA-N 1 0 292.404 2.755 10 30 CFEERO C=CCNC(=O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000183129416 381221293 /nfs/dbraw/zinc/22/12/93/381221293.db2.gz AOLIXRJMAMYVLD-MRXNPFEDSA-N 1 0 272.392 2.592 10 30 CFEERO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)[C@@H]1CCCO1 ZINC000187495684 382198009 /nfs/dbraw/zinc/19/80/09/382198009.db2.gz SFFQPVMBHYMARH-HZMBPMFUSA-N 1 0 264.756 2.869 10 30 CFEERO C=C(Br)CNc1c(N)c[nH+]cc1Cl ZINC000306967760 382462446 /nfs/dbraw/zinc/46/24/46/382462446.db2.gz QCRNEGSUKZCVCZ-UHFFFAOYSA-N 1 0 262.538 2.638 10 30 CFEERO N#Cc1ccc(N[C@@H](CC[NH3+])C(F)F)cc1Cl ZINC000383496193 382544597 /nfs/dbraw/zinc/54/45/97/382544597.db2.gz YFBPBOFFZKNVKB-JTQLQIEISA-N 1 0 259.687 2.606 10 30 CFEERO C=CCC[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000189111516 382546945 /nfs/dbraw/zinc/54/69/45/382546945.db2.gz PURJBRWZYWVKMF-IAGOWNOFSA-N 1 0 286.419 2.899 10 30 CFEERO C=CCCCCC[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000193337084 382718933 /nfs/dbraw/zinc/71/89/33/382718933.db2.gz LMICAKCDOMXTGA-AWEZNQCLSA-N 1 0 292.427 2.803 10 30 CFEERO N#CCCCOc1cccc(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000245809886 383037655 /nfs/dbraw/zinc/03/76/55/383037655.db2.gz ZFDKQYKFZVUUGA-KRWDZBQOSA-N 1 0 299.418 2.649 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000245941874 383051068 /nfs/dbraw/zinc/05/10/68/383051068.db2.gz VAISVUPMLRYONG-XHSDSOJGSA-N 1 0 293.455 2.999 10 30 CFEERO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248588945 383267007 /nfs/dbraw/zinc/26/70/07/383267007.db2.gz KMBFGSCROCBNOV-IHRRRGAJSA-N 1 0 280.412 2.798 10 30 CFEERO CN(C)C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248816814 383293015 /nfs/dbraw/zinc/29/30/15/383293015.db2.gz LALMHGFCUTUIHK-PVAVHDDUSA-N 1 0 271.408 2.961 10 30 CFEERO C=CC[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249597165 383352329 /nfs/dbraw/zinc/35/23/29/383352329.db2.gz XDWZWNBWJKJNLX-DLBZAZTESA-N 1 0 284.403 2.653 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(C#N)cc1F ZINC000252661995 383424564 /nfs/dbraw/zinc/42/45/64/383424564.db2.gz SODRMZKPCMAXTP-CJNGLKHVSA-N 1 0 287.382 2.756 10 30 CFEERO Cc1cccc[n+]1CC(=O)c1cccc(Br)c1 ZINC000027526893 262367084 /nfs/dbraw/zinc/36/70/84/262367084.db2.gz MIGZXDWTKXTWAH-UHFFFAOYSA-N 1 0 291.168 2.928 10 30 CFEERO Cc1ccc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1F ZINC000181370901 393493894 /nfs/dbraw/zinc/49/38/94/393493894.db2.gz GAVDFLHYYLZPDD-ZDUSSCGKSA-N 1 0 291.370 2.547 10 30 CFEERO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000183137727 393517432 /nfs/dbraw/zinc/51/74/32/393517432.db2.gz CPXWOSSPJYXRMV-SWLSCSKDSA-N 1 0 263.768 2.849 10 30 CFEERO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000183137692 393517618 /nfs/dbraw/zinc/51/76/18/393517618.db2.gz CPXWOSSPJYXRMV-WFASDCNBSA-N 1 0 263.768 2.849 10 30 CFEERO C#CCOC[C@@H](O)C[N@@H+](CCC)Cc1ccc(C)cc1C ZINC000036100837 393521761 /nfs/dbraw/zinc/52/17/61/393521761.db2.gz GEUTYWJHJFUSBG-SFHVURJKSA-N 1 0 289.419 2.526 10 30 CFEERO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000192869561 393635179 /nfs/dbraw/zinc/63/51/79/393635179.db2.gz RQXCYKVOKFJAND-LLVKDONJSA-N 1 0 285.372 2.909 10 30 CFEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000246846549 393887419 /nfs/dbraw/zinc/88/74/19/393887419.db2.gz FDYVAWNALYDUPU-ZWNOBZJWSA-N 1 0 278.787 2.747 10 30 CFEERO COc1ccc(C#N)cc1CN1CCS[C@@H](C)C1 ZINC000158191028 394355621 /nfs/dbraw/zinc/35/56/21/394355621.db2.gz PZOFBVTXIYZYHN-NSHDSACASA-N 1 0 262.378 2.504 10 30 CFEERO C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C[NH3+] ZINC000164019177 394369083 /nfs/dbraw/zinc/36/90/83/394369083.db2.gz URUDZCZGRHSKKG-PWSUYJOCSA-N 1 0 297.324 2.998 10 30 CFEERO CC(C)[C@@H]([NH3+])C#Cc1c[nH]c2cncc(Br)c12 ZINC000725246402 543105767 /nfs/dbraw/zinc/10/57/67/543105767.db2.gz ZDUHFVWAAUUMBT-NSHDSACASA-N 1 0 292.180 2.660 10 30 CFEERO N#Cc1ccccc1NC(=[NH2+])NCc1ccccc1 ZINC000306523246 397641146 /nfs/dbraw/zinc/64/11/46/397641146.db2.gz NJGOZPUOULWQPA-UHFFFAOYSA-N 1 0 250.305 2.695 10 30 CFEERO C=CCn1c2cccc3c2n(c1=O)C[C@@H](C)[N@H+](CCC)C3 ZINC000006380308 170196169 /nfs/dbraw/zinc/19/61/69/170196169.db2.gz PTAMADXZQDBKRB-CYBMUJFWSA-N 1 0 285.391 2.603 10 30 CFEERO C[C@@H](C#N)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022803495 171399405 /nfs/dbraw/zinc/39/94/05/171399405.db2.gz WDQMLTKMQROZMH-HNNXBMFYSA-N 1 0 279.387 2.869 10 30 CFEERO CC(C)(C)CC(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC000035248153 172078875 /nfs/dbraw/zinc/07/88/75/172078875.db2.gz APLQJUMLYZNVHO-UHFFFAOYSA-N 1 0 277.393 2.640 10 30 CFEERO C#CC[NH+]1CCC(Nc2ccc(OC)c(Cl)c2)CC1 ZINC000037195702 173024546 /nfs/dbraw/zinc/02/45/46/173024546.db2.gz KNFYIXQALWYEAF-UHFFFAOYSA-N 1 0 278.783 2.858 10 30 CFEERO N#Cc1ccc(NC(=O)CCCCC[NH3+])cc1Cl ZINC000037393482 173173446 /nfs/dbraw/zinc/17/34/46/173173446.db2.gz CQLHUQISCGMKRG-UHFFFAOYSA-N 1 0 265.744 2.669 10 30 CFEERO C=CCOCCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000658210374 414283184 /nfs/dbraw/zinc/28/31/84/414283184.db2.gz RKMHOKCJBUSOQW-LBPRGKRZSA-N 1 0 265.401 2.763 10 30 CFEERO C=CCOc1ccc(C[NH2+]CCC)cc1[N+](=O)[O-] ZINC000037703262 173625527 /nfs/dbraw/zinc/62/55/27/173625527.db2.gz MTLXTVOQMAZGKK-UHFFFAOYSA-N 1 0 250.298 2.659 10 30 CFEERO C#CCOc1cc(OCCC)ccc1C[C@@H]([NH3+])CC ZINC000037722277 173640784 /nfs/dbraw/zinc/64/07/84/173640784.db2.gz LVSRDHYRJAZXID-AWEZNQCLSA-N 1 0 261.365 2.767 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000659327955 414499699 /nfs/dbraw/zinc/49/96/99/414499699.db2.gz BTUWGICFYCDGLI-TUVASFSCSA-N 1 0 264.413 2.626 10 30 CFEERO C=C(Br)CNC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040669350 174368109 /nfs/dbraw/zinc/36/81/09/174368109.db2.gz QUTLVCVYHACOPU-AAEUAGOBSA-N 1 0 289.261 2.995 10 30 CFEERO C[N@@H+]1CCC[C@@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000040673488 174372461 /nfs/dbraw/zinc/37/24/61/174372461.db2.gz KGXGUHJVFGNXCG-CYBMUJFWSA-N 1 0 266.348 2.613 10 30 CFEERO CCN(CCC#N)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955172 174924209 /nfs/dbraw/zinc/92/42/09/174924209.db2.gz BDYCRVQFRIJXSD-ZDUSSCGKSA-N 1 0 296.212 2.684 10 30 CFEERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N(CCC#N)C2CC2)c1 ZINC000042967569 174931857 /nfs/dbraw/zinc/93/18/57/174931857.db2.gz QLOOPSJBKQSGQX-CZUORRHYSA-N 1 0 257.381 2.761 10 30 CFEERO C[C@@H](C#N)CN(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000043093269 174964303 /nfs/dbraw/zinc/96/43/03/174964303.db2.gz ASWLIUCYRYFFPI-GWCFXTLKSA-N 1 0 296.212 2.540 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1cccc(C#N)c1)c1ccccn1 ZINC000043342981 175015947 /nfs/dbraw/zinc/01/59/47/175015947.db2.gz OHWMKWXKMHKYQL-ZBFHGGJFSA-N 1 0 267.332 2.811 10 30 CFEERO Cc1ccc([C@H](C[NH3+])Oc2cccc(F)c2C#N)o1 ZINC000043366966 175027262 /nfs/dbraw/zinc/02/72/62/175027262.db2.gz VLVKMYWEONQXJD-AWEZNQCLSA-N 1 0 260.268 2.678 10 30 CFEERO COc1ccccc1COc1ccc(F)cc1C#CC[NH3+] ZINC000043457894 175050715 /nfs/dbraw/zinc/05/07/15/175050715.db2.gz NIOHKWZIBYWKJO-UHFFFAOYSA-N 1 0 285.318 2.724 10 30 CFEERO [NH3+]CC#Cc1ccccc1OCc1cc(F)ccc1F ZINC000043459908 175050759 /nfs/dbraw/zinc/05/07/59/175050759.db2.gz CSNUTCBWHOGZPO-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO CC[NH2+]Cc1cc(Br)ccc1O[C@@H](C)C#N ZINC000043513427 175061403 /nfs/dbraw/zinc/06/14/03/175061403.db2.gz AOIGWIGMRVPNFQ-VIFPVBQESA-N 1 0 283.169 2.849 10 30 CFEERO CC[C@H](C#N)Oc1cc2c(cc1C[NH2+]C(C)C)OCO2 ZINC000043539025 175063914 /nfs/dbraw/zinc/06/39/14/175063914.db2.gz VYRBMTOFKWMIIF-GFCCVEGCSA-N 1 0 276.336 2.594 10 30 CFEERO CCOc1cc(C[C@@H](C)[NH3+])ccc1O[C@@H](C#N)CC ZINC000043543585 175064173 /nfs/dbraw/zinc/06/41/73/175064173.db2.gz WBUUGAIDVWLWOZ-DGCLKSJQSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@H](C#N)Oc1c(Cl)cc(C[C@@H](C)[NH3+])cc1OC ZINC000043543529 175064189 /nfs/dbraw/zinc/06/41/89/175064189.db2.gz LJMBZWBBBNJYGV-MWLCHTKSSA-N 1 0 282.771 2.919 10 30 CFEERO CC[C@H](C#N)Oc1c(Cl)cc(C[C@H](C)[NH3+])cc1OC ZINC000043543531 175064343 /nfs/dbraw/zinc/06/43/43/175064343.db2.gz LJMBZWBBBNJYGV-GXSJLCMTSA-N 1 0 282.771 2.919 10 30 CFEERO CC[C@H](C#N)Oc1cc(C[C@@H]([NH3+])CC)ccc1OC ZINC000043543630 175064437 /nfs/dbraw/zinc/06/44/37/175064437.db2.gz CRBHHFPNPSIBIK-QWHCGFSZSA-N 1 0 262.353 2.656 10 30 CFEERO CC(C)CC[N@H+](C)Cc1ccc(C#CCCO)s1 ZINC000043678570 175088841 /nfs/dbraw/zinc/08/88/41/175088841.db2.gz KCAUUUXORJHPDB-UHFFFAOYSA-N 1 0 265.422 2.960 10 30 CFEERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1sccc1C#CCO ZINC000043679269 175089421 /nfs/dbraw/zinc/08/94/21/175089421.db2.gz FYSVMFLBFBKYGQ-CHWSQXEVSA-N 1 0 263.406 2.855 10 30 CFEERO CC[N@H+](Cc1sccc1C#CCCO)C(C)C ZINC000043679422 175090325 /nfs/dbraw/zinc/09/03/25/175090325.db2.gz YATOLMDEULWFOS-UHFFFAOYSA-N 1 0 251.395 2.712 10 30 CFEERO C[C@H](C1CC1)[N@H+](C)Cc1sccc1C#CCCO ZINC000043679717 175090350 /nfs/dbraw/zinc/09/03/50/175090350.db2.gz NSAUFRBVOIUBMK-GFCCVEGCSA-N 1 0 263.406 2.712 10 30 CFEERO [NH3+]CC#Cc1ccsc1CSc1ccccn1 ZINC000043685621 175093673 /nfs/dbraw/zinc/09/36/73/175093673.db2.gz UFCQMVSADQNGOT-UHFFFAOYSA-N 1 0 260.387 2.746 10 30 CFEERO Cc1ccccc1OCc1ccc(C#CC[NH3+])s1 ZINC000043684819 175093701 /nfs/dbraw/zinc/09/37/01/175093701.db2.gz OPELTURDWRAHAE-UHFFFAOYSA-N 1 0 257.358 2.946 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2ccc(F)cc2)s1 ZINC000043684826 175093780 /nfs/dbraw/zinc/09/37/80/175093780.db2.gz GWDFDGIVMVHGKO-UHFFFAOYSA-N 1 0 261.321 2.776 10 30 CFEERO [NH3+]CC#Cc1csc(COc2ccc(F)cc2)c1 ZINC000043689258 175096126 /nfs/dbraw/zinc/09/61/26/175096126.db2.gz BGUGHQNONJEXOL-UHFFFAOYSA-N 1 0 261.321 2.776 10 30 CFEERO C[C@H](C1CC1)[N@H+](C)Cc1cc(C#CCCO)cs1 ZINC000043698617 175096535 /nfs/dbraw/zinc/09/65/35/175096535.db2.gz QXEDYCBBXIWFHL-GFCCVEGCSA-N 1 0 263.406 2.712 10 30 CFEERO C[N@@H+](Cc1ccsc1)Cc1cc(C#CCO)cs1 ZINC000043698592 175096782 /nfs/dbraw/zinc/09/67/82/175096782.db2.gz VYWRBDXFYDSSOJ-UHFFFAOYSA-N 1 0 277.414 2.785 10 30 CFEERO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCCN1C ZINC000044561051 175205085 /nfs/dbraw/zinc/20/50/85/175205085.db2.gz UBEPXCZNWGZTBR-MRXNPFEDSA-N 1 0 274.408 2.825 10 30 CFEERO CC[NH2+]Cc1ccc(OCC#N)c(C(F)(F)F)c1 ZINC000071398644 176151862 /nfs/dbraw/zinc/15/18/62/176151862.db2.gz KNMNSYPVHPMDLY-UHFFFAOYSA-N 1 0 258.243 2.717 10 30 CFEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085971167 260206086 /nfs/dbraw/zinc/20/60/86/260206086.db2.gz OWWRLWZBLUQXGZ-RDJZCZTQSA-N 1 0 275.392 2.892 10 30 CFEERO C=CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000189201667 264277995 /nfs/dbraw/zinc/27/79/95/264277995.db2.gz LJHJGJHJAWAATA-IRXDYDNUSA-N 1 0 286.419 2.947 10 30 CFEERO CC(C)CC[NH+]1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302827537 273509009 /nfs/dbraw/zinc/50/90/09/273509009.db2.gz IAPLNCJGTDPKJW-UHFFFAOYSA-N 1 0 282.391 2.598 10 30 CFEERO C[NH2+][C@@H]1CCCN(c2cccc(Br)c2C#N)C1 ZINC000169061062 277295166 /nfs/dbraw/zinc/29/51/66/277295166.db2.gz QBMNSPBZFPXQJG-SNVBAGLBSA-N 1 0 294.196 2.509 10 30 CFEERO C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000235674334 278369781 /nfs/dbraw/zinc/36/97/81/278369781.db2.gz LYCLOYQFPQLXHP-GXFFZTMASA-N 1 0 263.772 2.775 10 30 CFEERO C[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)[C@H]1C[NH3+] ZINC000252203002 278485607 /nfs/dbraw/zinc/48/56/07/278485607.db2.gz UMTBGLWSHFPVHO-KOLCDFICSA-N 1 0 298.312 2.536 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)C[NH2+]1 ZINC000122654565 278801666 /nfs/dbraw/zinc/80/16/66/278801666.db2.gz JJMLIWKKCFBSOT-ZJUUUORDSA-N 1 0 283.297 2.764 10 30 CFEERO C[C@@]1(C[NH3+])CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000261867119 279158723 /nfs/dbraw/zinc/15/87/23/279158723.db2.gz YORJYNUAFLEVIH-ZDUSSCGKSA-N 1 0 283.297 2.752 10 30 CFEERO C[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@@]1(C)C[NH3+] ZINC000381141417 324416118 /nfs/dbraw/zinc/41/61/18/324416118.db2.gz DNQATDYLNLNISN-QMTHXVAHSA-N 1 0 263.772 2.633 10 30 CFEERO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186408542 329341966 /nfs/dbraw/zinc/34/19/66/329341966.db2.gz PCPYWFZZUJLQLU-MJBXVCDLSA-N 1 0 253.386 2.515 10 30 CFEERO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)CC2 ZINC000129548019 327156416 /nfs/dbraw/zinc/15/64/16/327156416.db2.gz AWZAZZVSLJYBJP-FRFSOERESA-N 1 0 270.376 2.834 10 30 CFEERO CC(C)c1nc2n(n1)C[C@H]([NH2+]CC(C)(C)CCC#N)CC2 ZINC000174362502 329157864 /nfs/dbraw/zinc/15/78/64/329157864.db2.gz KODXVYFVGVMGCE-CYBMUJFWSA-N 1 0 289.427 2.636 10 30 CFEERO C#Cc1cccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)c1 ZINC000177519003 329185128 /nfs/dbraw/zinc/18/51/28/329185128.db2.gz CLCBHLHBMXFDKV-DLBZAZTESA-N 1 0 297.402 2.758 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000181104173 329226403 /nfs/dbraw/zinc/22/64/03/329226403.db2.gz UHYSQVCILGTVDX-RRFJBIMHSA-N 1 0 279.428 2.609 10 30 CFEERO CC[NH+]=C(NCC1CCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261842546 329986132 /nfs/dbraw/zinc/98/61/32/329986132.db2.gz WNBTYMAARMXZRR-GJZGRUSLSA-N 1 0 263.429 2.874 10 30 CFEERO [NH2+]=C(NCC1(C(F)(F)F)CCC1)NC1CCCC1 ZINC000262181284 330001555 /nfs/dbraw/zinc/00/15/55/330001555.db2.gz WTAFIGMWPXPPSH-UHFFFAOYSA-N 1 0 263.307 2.566 10 30 CFEERO COCc1ccccc1NC(=[NH2+])NC[C@@H]1CCCSC1 ZINC000262324263 330006170 /nfs/dbraw/zinc/00/61/70/330006170.db2.gz SMICABUMLYUBCM-LBPRGKRZSA-N 1 0 293.436 2.703 10 30 CFEERO CC[C@H](C)NC(=[NH2+])NCc1c(C)c2ccccc2n1C ZINC000262336590 330006716 /nfs/dbraw/zinc/00/67/16/330006716.db2.gz GESGVDJSVPJSPL-NSHDSACASA-N 1 0 272.396 2.690 10 30 CFEERO CC[NH+]=C(NCC1CCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262339457 330006776 /nfs/dbraw/zinc/00/67/76/330006776.db2.gz CIFQQKIHSKJGJN-RRFJBIMHSA-N 1 0 293.455 2.545 10 30 CFEERO CC[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262360113 330010765 /nfs/dbraw/zinc/01/07/65/330010765.db2.gz GPHAIEIVMLUHCK-BARDWOONSA-N 1 0 295.471 2.790 10 30 CFEERO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000262448360 330013837 /nfs/dbraw/zinc/01/38/37/330013837.db2.gz JGBRYCIMCVIGHK-NWDGAFQWSA-N 1 0 297.349 2.847 10 30 CFEERO [NH2+]=C(NC[C@@H]1CC12CCOCC2)Nc1ccc2c(c1)CCC2 ZINC000262767687 330030146 /nfs/dbraw/zinc/03/01/46/330030146.db2.gz GTIBVQYQRHPQMH-HNNXBMFYSA-N 1 0 299.418 2.719 10 30 CFEERO CCCOc1cc(C)ccc1C[NH+]=C(N(C)C)N(C)C ZINC000262809194 330032991 /nfs/dbraw/zinc/03/29/91/330032991.db2.gz TUAUPNRCYHNRKZ-UHFFFAOYSA-N 1 0 277.412 2.763 10 30 CFEERO C[NH+]=C(N[C@H](C)c1cc(C)ccc1OC)NC1CCC1 ZINC000262807845 330033028 /nfs/dbraw/zinc/03/30/28/330033028.db2.gz UDFCGZBDJKIFCW-GFCCVEGCSA-N 1 0 275.396 2.782 10 30 CFEERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCCCC#N)C1 ZINC000172473196 335106210 /nfs/dbraw/zinc/10/62/10/335106210.db2.gz ABFMRCLROVSJRP-AWEZNQCLSA-N 1 0 295.427 2.917 10 30 CFEERO C=C(C)C[C@H](C)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000185755478 333148147 /nfs/dbraw/zinc/14/81/47/333148147.db2.gz QGVVQDIDMFTRSC-UONOGXRCSA-N 1 0 252.402 2.531 10 30 CFEERO C=C(C)CN(CC)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079495962 334155705 /nfs/dbraw/zinc/15/57/05/334155705.db2.gz KQTIRYLQHYZVRM-CQSZACIVSA-N 1 0 269.433 2.570 10 30 CFEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC#Cc1cccc(Cl)c1 ZINC000246099047 334232704 /nfs/dbraw/zinc/23/27/04/334232704.db2.gz KJGNSEJVQZQPNQ-YOEHRIQHSA-N 1 0 288.822 2.860 10 30 CFEERO COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000250990600 334354271 /nfs/dbraw/zinc/35/42/71/334354271.db2.gz LUSQMQDNJKFSIP-QEJZJMRPSA-N 1 0 258.365 2.908 10 30 CFEERO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000251244411 334358837 /nfs/dbraw/zinc/35/88/37/334358837.db2.gz STLODHISJGSJCT-IVMMDQJWSA-N 1 0 258.365 2.995 10 30 CFEERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000049195624 519793858 /nfs/dbraw/zinc/79/38/58/519793858.db2.gz GTHQDPJLCYAHFQ-XJKSGUPXSA-N 1 0 259.397 2.795 10 30 CFEERO CCCCC[N@H+](C)Cc1ccc(F)cc1C#CCO ZINC000049617976 520153141 /nfs/dbraw/zinc/15/31/41/520153141.db2.gz YLOJQPDMPAYANJ-UHFFFAOYSA-N 1 0 263.356 2.792 10 30 CFEERO CCC(C)(C)OCCOc1cccc(C#CC[NH3+])c1 ZINC000049610953 521359211 /nfs/dbraw/zinc/35/92/11/521359211.db2.gz UMLWIFJRPWPVMO-UHFFFAOYSA-N 1 0 261.365 2.581 10 30 CFEERO C#CCOc1cccc(C[NH2+]CCCOC(C)C)c1 ZINC000045945952 518331098 /nfs/dbraw/zinc/33/10/98/518331098.db2.gz VAEBTMDTZGSUHU-UHFFFAOYSA-N 1 0 261.365 2.603 10 30 CFEERO C#CC[C@@H]([NH2+]CC)C1(c2ccccc2)CCOCC1 ZINC000062783782 518339735 /nfs/dbraw/zinc/33/97/35/518339735.db2.gz WMSXDHIIQGBPGD-MRXNPFEDSA-N 1 0 257.377 2.736 10 30 CFEERO C=CCN(CC=C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052376518 518770454 /nfs/dbraw/zinc/77/04/54/518770454.db2.gz XCXAQBTZJGPKLY-UHFFFAOYSA-N 1 0 263.385 2.594 10 30 CFEERO CC(C)(C[NH3+])Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000063020817 519232710 /nfs/dbraw/zinc/23/27/10/519232710.db2.gz OKQGIBLWIKHYKJ-UHFFFAOYSA-N 1 0 257.259 2.726 10 30 CFEERO CC(C)CCC[C@H](C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049148582 519648067 /nfs/dbraw/zinc/64/80/67/519648067.db2.gz KCOOQEBAVNTEOX-HNNXBMFYSA-N 1 0 286.419 2.941 10 30 CFEERO CC(C)CCC[C@H](C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049148580 519648161 /nfs/dbraw/zinc/64/81/61/519648161.db2.gz SHCZJRUEZMHZGU-HNNXBMFYSA-N 1 0 286.419 2.941 10 30 CFEERO CC(C)CC[C@H](C)NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000069235775 519690844 /nfs/dbraw/zinc/69/08/44/519690844.db2.gz NFMNYXWUZTXTBZ-ZDUSSCGKSA-N 1 0 290.382 2.690 10 30 CFEERO CC(C)[NH2+]CCNc1ccc(C(F)(F)F)cc1C#N ZINC000054267639 519721852 /nfs/dbraw/zinc/72/18/52/519721852.db2.gz INLKLRNPNUDFNV-UHFFFAOYSA-N 1 0 271.286 2.987 10 30 CFEERO CCC1CCC(NC(=O)c2cccc(C#CC[NH3+])c2)CC1 ZINC000049124818 519856546 /nfs/dbraw/zinc/85/65/46/519856546.db2.gz AJXGAIDMTBATHM-UHFFFAOYSA-N 1 0 284.403 2.695 10 30 CFEERO CCN[C@](C)(C#N)CCC[NH+]1CCC(C)(C)CC1 ZINC000061821697 520224747 /nfs/dbraw/zinc/22/47/47/520224747.db2.gz XLHQMQZGQCJCOJ-HNNXBMFYSA-N 1 0 251.418 2.780 10 30 CFEERO CCCCC[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000049105967 520283733 /nfs/dbraw/zinc/28/37/33/520283733.db2.gz ZTDYATHDZKBJKW-CYBMUJFWSA-N 1 0 290.382 2.835 10 30 CFEERO CCCC[N@H+](C)Cc1ccc(C#CCCO)cc1F ZINC000049616381 520419982 /nfs/dbraw/zinc/41/99/82/520419982.db2.gz ZFWURQOEZAPQGI-UHFFFAOYSA-N 1 0 263.356 2.792 10 30 CFEERO CCC[C@@H](C)C(=O)N[C@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587106 520615686 /nfs/dbraw/zinc/61/56/86/520615686.db2.gz TULQGULYFKPFAK-ZIAGYGMSSA-N 1 0 272.392 2.610 10 30 CFEERO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000069238189 520964992 /nfs/dbraw/zinc/96/49/92/520964992.db2.gz SZQNGVAENGNLIR-LBPRGKRZSA-N 1 0 271.364 2.617 10 30 CFEERO CCCC[C@H](C[NH3+])Nc1nc(C)c(C#N)cc1Cl ZINC000310987945 521192043 /nfs/dbraw/zinc/19/20/43/521192043.db2.gz KUGVHDVKCJISAS-LLVKDONJSA-N 1 0 266.776 2.845 10 30 CFEERO CC[N@@H+](Cc1ccc(F)cc1C#CCO)CC(C)C ZINC000049617262 521315848 /nfs/dbraw/zinc/31/58/48/521315848.db2.gz DBVUEUVBHPSSMW-UHFFFAOYSA-N 1 0 263.356 2.647 10 30 CFEERO CCC[N@H+](Cc1ccccc1C#CCCO)C1CC1 ZINC000049617674 521686727 /nfs/dbraw/zinc/68/67/27/521686727.db2.gz RERLHEKUHQCCOJ-UHFFFAOYSA-N 1 0 257.377 2.795 10 30 CFEERO CN(C)c1cccc(OCc2cccc(C#CC[NH3+])c2)c1 ZINC000049611153 522283537 /nfs/dbraw/zinc/28/35/37/522283537.db2.gz WVQREZHGOPIBSR-UHFFFAOYSA-N 1 0 280.371 2.642 10 30 CFEERO COc1ccc(C)cc1COc1ccc(C#CC[NH3+])cc1 ZINC000050707074 523814706 /nfs/dbraw/zinc/81/47/06/523814706.db2.gz IDMGMPZBFBXBCY-UHFFFAOYSA-N 1 0 281.355 2.893 10 30 CFEERO COc1ccc(C[N@H+](C)[C@H](C)C(C)C)cc1C#CCCO ZINC000049618558 524010206 /nfs/dbraw/zinc/01/02/06/524010206.db2.gz JJIRSYCHWXPIFS-OAHLLOKOSA-N 1 0 289.419 2.905 10 30 CFEERO C[C@@H]1CCCC[N@@H+]1CCOc1cccc(C#CCCO)c1 ZINC000049615685 524113567 /nfs/dbraw/zinc/11/35/67/524113567.db2.gz UHHWFADICDNULM-MRXNPFEDSA-N 1 0 287.403 2.674 10 30 CFEERO C[C@@H]1CCCC[N@@H+]1Cc1cccc(C#CCCO)c1 ZINC000049615751 524115927 /nfs/dbraw/zinc/11/59/27/524115927.db2.gz OKNDCTJLVFCZNV-OAHLLOKOSA-N 1 0 257.377 2.795 10 30 CFEERO C[C@@H]1CCC[N@H+](Cc2ccc(C#CCO)s2)[C@@H]1C ZINC000050566713 524232934 /nfs/dbraw/zinc/23/29/34/524232934.db2.gz PSNHUJPLVGONOR-CHWSQXEVSA-N 1 0 263.406 2.712 10 30 CFEERO C[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#CCCO)c2)C1 ZINC000049616102 524235061 /nfs/dbraw/zinc/23/50/61/524235061.db2.gz WGKYNMNAKNUEFS-CQSZACIVSA-N 1 0 275.367 2.792 10 30 CFEERO C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000163978396 524306026 /nfs/dbraw/zinc/30/60/26/524306026.db2.gz IDQWYYIRCWKDFJ-JQWIXIFHSA-N 1 0 263.772 2.633 10 30 CFEERO C[C@@H]1CCC[C@@H](OCCOc2cccc(C#CC[NH3+])c2)C1 ZINC000049610996 524318947 /nfs/dbraw/zinc/31/89/47/524318947.db2.gz VHSYVQPLYRLZDG-NVXWUHKLSA-N 1 0 287.403 2.971 10 30 CFEERO C[C@@H](C[NH3+])CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000311082055 524583241 /nfs/dbraw/zinc/58/32/41/524583241.db2.gz MEMZTCUDLSVGKW-QMMMGPOBSA-N 1 0 257.259 2.584 10 30 CFEERO C[C@H](NC(=O)C1CCCCC1)c1ccc(C#CC[NH3+])cc1 ZINC000049586737 524912454 /nfs/dbraw/zinc/91/24/54/524912454.db2.gz HCNLDMWTLIQTBR-AWEZNQCLSA-N 1 0 284.403 2.754 10 30 CFEERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1nc2c(cc1C#N)CCCC2 ZINC000063196575 525008769 /nfs/dbraw/zinc/00/87/69/525008769.db2.gz HBMIGNTWZHXFDO-WBMJQRKESA-N 1 0 284.407 2.538 10 30 CFEERO C[C@@H]([NH3+])[C@H]1CCCCN1c1cccc(Cl)c1C#N ZINC000063196719 525020807 /nfs/dbraw/zinc/02/08/07/525020807.db2.gz XVSHRZOKEOHDIJ-ZWNOBZJWSA-N 1 0 263.772 2.918 10 30 CFEERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C#CCO)cc2F)C1 ZINC000049616649 525210419 /nfs/dbraw/zinc/21/04/19/525210419.db2.gz MTNISZMNIZRUEF-ZIAGYGMSSA-N 1 0 275.367 2.647 10 30 CFEERO C[C@@H]1C[C@@H](C)C[NH+](Cc2cccc(C#CCO)c2)C1 ZINC000049616655 525210886 /nfs/dbraw/zinc/21/08/86/525210886.db2.gz MUKJYNJDJAGLFE-HUUCEWRRSA-N 1 0 257.377 2.508 10 30 CFEERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C#CCCO)C1 ZINC000049616606 525211041 /nfs/dbraw/zinc/21/10/41/525211041.db2.gz LCCGYLRXBBKJTL-HZPDHXFCSA-N 1 0 271.404 2.898 10 30 CFEERO Cc1ccc(NC(=O)c2cncc(C#CC[NH3+])c2)c(Cl)c1 ZINC000049629523 525254041 /nfs/dbraw/zinc/25/40/41/525254041.db2.gz ZYZVDIIBRSOXNG-UHFFFAOYSA-N 1 0 299.761 2.606 10 30 CFEERO Cc1ccccc1OCCOc1ccc(C#CC[NH3+])cc1 ZINC000049610503 525305012 /nfs/dbraw/zinc/30/50/12/525305012.db2.gz CUVCAEJTWJNYGN-UHFFFAOYSA-N 1 0 281.355 2.763 10 30 CFEERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C#CCO)C1 ZINC000049616628 525384994 /nfs/dbraw/zinc/38/49/94/525384994.db2.gz SSSHNHYEWODGMD-GASCZTMLSA-N 1 0 257.377 2.508 10 30 CFEERO C[C@@H]([NH2+][C@@H](C)CN1CCCC1)c1cccc(C#N)c1 ZINC000049151377 525599351 /nfs/dbraw/zinc/59/93/51/525599351.db2.gz GNJTUJIOCZMSMK-UONOGXRCSA-N 1 0 257.381 2.693 10 30 CFEERO Cc1ccc([C@@H](C)NC(=O)c2cccc(C#CC[NH3+])c2)s1 ZINC000049189290 525717481 /nfs/dbraw/zinc/71/74/81/525717481.db2.gz RLMWEWYHYRQDGK-CYBMUJFWSA-N 1 0 298.411 2.858 10 30 CFEERO Cc1ccoc1C(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061692006 525788931 /nfs/dbraw/zinc/78/89/31/525788931.db2.gz ZBINNBQPMVBNSD-UHFFFAOYSA-N 1 0 288.734 2.804 10 30 CFEERO C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#CCO ZINC000049615746 526251238 /nfs/dbraw/zinc/25/12/38/526251238.db2.gz ZMULOCHAGDMTIG-ZDUSSCGKSA-N 1 0 261.340 2.544 10 30 CFEERO N#Cc1cc(NC[C@H]2CCC[NH2+]2)ccc1C(F)(F)F ZINC000164076000 526572783 /nfs/dbraw/zinc/57/27/83/526572783.db2.gz KCJJMSSJTXXWRW-LLVKDONJSA-N 1 0 269.270 2.741 10 30 CFEERO N#Cc1cc(N[C@H]2CCC[C@H]2C[NH3+])nc2ccccc12 ZINC000089092317 526574196 /nfs/dbraw/zinc/57/41/96/526574196.db2.gz QVGVNDRPNDMZMG-FZMZJTMJSA-N 1 0 266.348 2.646 10 30 CFEERO N#Cc1ccc(Cl)cc1OC[C@H]1CCC[NH2+]C1 ZINC000062786603 526636248 /nfs/dbraw/zinc/63/62/48/526636248.db2.gz IUKGQTHIIMKYGH-JTQLQIEISA-N 1 0 250.729 2.590 10 30 CFEERO C#CCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000113321176 526744495 /nfs/dbraw/zinc/74/44/95/526744495.db2.gz CCBWIQWVOYDOLY-YOEHRIQHSA-N 1 0 273.376 2.746 10 30 CFEERO Cc1nc(N[C@H](C[NH3+])CC(C)C)c(Cl)cc1C#N ZINC000311157126 527001882 /nfs/dbraw/zinc/00/18/82/527001882.db2.gz XMESYQSXSUAXEB-NSHDSACASA-N 1 0 266.776 2.700 10 30 CFEERO [NH3+]CC#Cc1ccccc1CNC(=O)c1ccccc1Cl ZINC000049586381 527155366 /nfs/dbraw/zinc/15/53/66/527155366.db2.gz HEHMEMJNIORFEP-UHFFFAOYSA-N 1 0 298.773 2.580 10 30 CFEERO OCC#Cc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000049616474 527519773 /nfs/dbraw/zinc/51/97/73/527519773.db2.gz OWIWROOKGNRIFM-UHFFFAOYSA-N 1 0 277.367 2.589 10 30 CFEERO N#Cc1cc(Br)ccc1NCC[C@@H]1CC[NH2+]C1 ZINC000229249326 618208942 /nfs/dbraw/zinc/20/89/42/618208942.db2.gz SCNSMACOWPFESG-JTQLQIEISA-N 1 0 294.196 2.732 10 30 CFEERO N#Cc1ccc(NC[C@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000053255052 618279740 /nfs/dbraw/zinc/27/97/40/618279740.db2.gz SZPYCLMNWMMMRN-LLVKDONJSA-N 1 0 269.270 2.741 10 30 CFEERO N#Cc1ccc(NC[C@@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000236136180 618606569 /nfs/dbraw/zinc/60/65/69/618606569.db2.gz INLCKHVKSWZZJZ-JTQLQIEISA-N 1 0 269.270 2.741 10 30 CFEERO N#Cc1ccc(NCC2([NH3+])CCC2)cc1C(F)(F)F ZINC000236184839 618608968 /nfs/dbraw/zinc/60/89/68/618608968.db2.gz XORFMCHXJDOXAB-UHFFFAOYSA-N 1 0 269.270 2.870 10 30 CFEERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000261593762 619173926 /nfs/dbraw/zinc/17/39/26/619173926.db2.gz ZHMMVDKCWIDCNE-SFYZADRCSA-N 1 0 257.259 2.725 10 30 CFEERO N#Cc1sc(N[C@H]2CCCC[C@@H]2C[NH3+])nc1Cl ZINC000236205692 619195814 /nfs/dbraw/zinc/19/58/14/619195814.db2.gz AIWRLMDPKUOINL-SFYZADRCSA-N 1 0 270.789 2.598 10 30 CFEERO CCN(c1ccc(C(F)(F)F)c(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000164085053 622935765 /nfs/dbraw/zinc/93/57/65/622935765.db2.gz NOIGVHZRYASNHN-LBPRGKRZSA-N 1 0 283.297 2.765 10 30 CFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000061891421 623240277 /nfs/dbraw/zinc/24/02/77/623240277.db2.gz NYPDFLCSTCDRJG-CABZTGNLSA-N 1 0 250.729 2.827 10 30 CFEERO Cc1cc(C)c(C#N)c(NC[C@H]([NH3+])c2ccccc2)n1 ZINC000062838495 623299705 /nfs/dbraw/zinc/29/97/05/623299705.db2.gz VETPVRZVMRTLCP-HNNXBMFYSA-N 1 0 266.348 2.682 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N(C)Cc1ccc(OC(F)F)cc1 ZINC000073756519 626370930 /nfs/dbraw/zinc/37/09/30/626370930.db2.gz NBOITEVLEQAIEN-GXFFZTMASA-N 1 0 297.349 2.704 10 30 CFEERO C=C(C)C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000122540368 639188480 /nfs/dbraw/zinc/18/84/80/639188480.db2.gz BMFZRBAUZAMANJ-CHWSQXEVSA-N 1 0 268.401 2.846 10 30 CFEERO C=C(C)C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000122540574 639188744 /nfs/dbraw/zinc/18/87/44/639188744.db2.gz BMFZRBAUZAMANJ-OLZOCXBDSA-N 1 0 268.401 2.846 10 30 CFEERO C#CCCOc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000245713871 650830333 /nfs/dbraw/zinc/83/03/33/650830333.db2.gz GMBAUDFFNSGDEZ-WMZOPIPTSA-N 1 0 298.430 2.757 10 30 CFEERO C=CC[N+](C)(C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000033882776 717123160 /nfs/dbraw/zinc/12/31/60/717123160.db2.gz OMGXDQFLMUCCCP-KRWDZBQOSA-N 1 0 286.395 2.842 10 30 CFEERO CC(C)OCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000083382595 178383522 /nfs/dbraw/zinc/38/35/22/178383522.db2.gz IFRGADPPIQJXLK-UHFFFAOYSA-N 1 0 250.317 2.602 10 30 CFEERO Cn1nccc1C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000128175854 187355877 /nfs/dbraw/zinc/35/58/77/187355877.db2.gz XCKOVJZHQICQOW-UHFFFAOYSA-N 1 0 286.404 2.733 10 30 CFEERO C=CC[NH+](CC=C)C[C@@H](O)COc1cccc2c1CCC2 ZINC000033856427 346312857 /nfs/dbraw/zinc/31/28/57/346312857.db2.gz DOROOFWHTQYTAZ-MRXNPFEDSA-N 1 0 287.403 2.589 10 30 CFEERO CCNC(=[NH2+])Nc1ccc(Br)cc1Cl ZINC000052069900 346511936 /nfs/dbraw/zinc/51/19/36/346511936.db2.gz WFUSOVZQJDQGTG-UHFFFAOYSA-N 1 0 276.565 2.658 10 30 CFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000054826208 346577095 /nfs/dbraw/zinc/57/70/95/346577095.db2.gz GOHFARVKQYHXJX-ZFWWWQNUSA-N 1 0 273.336 2.809 10 30 CFEERO [NH2+]=C(Nc1cc(Br)ccc1F)C1CC1 ZINC000062990551 346695399 /nfs/dbraw/zinc/69/53/99/346695399.db2.gz HCGBELYWDBPWQT-UHFFFAOYSA-N 1 0 257.106 2.987 10 30 CFEERO N#Cc1cc(Br)ccc1NCC1CC[NH2+]CC1 ZINC000132202868 347882922 /nfs/dbraw/zinc/88/29/22/347882922.db2.gz FXYVMXUOQGVUMF-UHFFFAOYSA-N 1 0 294.196 2.732 10 30 CFEERO Cc1cc(C)c(C#N)c(NCc2ccc(C[NH3+])cc2)n1 ZINC000159596357 348013191 /nfs/dbraw/zinc/01/31/91/348013191.db2.gz GSRFGTBJVNFVAS-UHFFFAOYSA-N 1 0 266.348 2.641 10 30 CFEERO CC#CCC[C@@H]([NH3+])c1cncc(Br)c1 ZINC000161240222 348024150 /nfs/dbraw/zinc/02/41/50/348024150.db2.gz IBQOKTUZESISNR-LLVKDONJSA-N 1 0 253.143 2.647 10 30 CFEERO C=C[C@@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000128721689 187386107 /nfs/dbraw/zinc/38/61/07/187386107.db2.gz FNAJFHSXMCRFBB-HOCLYGCPSA-N 1 0 272.392 2.509 10 30 CFEERO N#CCCCOc1cccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000179547119 348121630 /nfs/dbraw/zinc/12/16/30/348121630.db2.gz ZFDKQYKFZVUUGA-QGZVFWFLSA-N 1 0 299.418 2.649 10 30 CFEERO C[C@@]1(/[N+](O)=C/c2ccc(F)cc2)CCCCC1=O ZINC000225398651 348177592 /nfs/dbraw/zinc/17/75/92/348177592.db2.gz KLQVEFZESSHFFJ-KWZJRMENSA-N 1 0 250.293 2.548 10 30 CFEERO CC[NH2+]CC#Cc1cccc(Br)c1F ZINC000233513294 348217365 /nfs/dbraw/zinc/21/73/65/348217365.db2.gz IUWQYTLUNTZDQD-UHFFFAOYSA-N 1 0 256.118 2.549 10 30 CFEERO CC[C@H]1CN(c2ccc(Cl)cc2C#N)CC[C@H]1[NH3+] ZINC000251569585 348292637 /nfs/dbraw/zinc/29/26/37/348292637.db2.gz BVKBBRLBSKDMRN-GXFFZTMASA-N 1 0 263.772 2.775 10 30 CFEERO CC(C)[C@@H]([NH3+])C#Cc1cscc1Br ZINC000300998592 348370861 /nfs/dbraw/zinc/37/08/61/348370861.db2.gz WSNXHJZKKRKLAX-JTQLQIEISA-N 1 0 258.184 2.845 10 30 CFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000309847920 348408194 /nfs/dbraw/zinc/40/81/94/348408194.db2.gz YVDLBFSGDJCBBP-KSZLIROESA-N 1 0 283.419 2.933 10 30 CFEERO N#Cc1cc(Cl)ccc1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311745738 348414718 /nfs/dbraw/zinc/41/47/18/348414718.db2.gz UDQVRJYBIWUUDC-WFASDCNBSA-N 1 0 275.783 2.777 10 30 CFEERO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCC[C@@H](O)C1 ZINC000311705614 348414778 /nfs/dbraw/zinc/41/47/78/348414778.db2.gz VBGYELSYXAXOCT-HZPDHXFCSA-N 1 0 258.365 2.541 10 30 CFEERO CN(CC[NH2+][C@@H]1CCCC[C@H]1C#N)Cc1ccccc1 ZINC000386725814 348536099 /nfs/dbraw/zinc/53/60/99/348536099.db2.gz TZVFFASMWNGNKY-DLBZAZTESA-N 1 0 271.408 2.790 10 30 CFEERO C(C#CC[NH+]1CCCCC1)#CCN1CCc2ccccc2C1 ZINC000584606459 348688180 /nfs/dbraw/zinc/68/81/80/348688180.db2.gz VGBWCZVVCMKFEM-UHFFFAOYSA-N 1 0 292.426 2.537 10 30 CFEERO C#CCC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC ZINC000104351419 185979724 /nfs/dbraw/zinc/97/97/24/185979724.db2.gz SITQVNJMLZNEBI-CQSZACIVSA-N 1 0 261.365 2.638 10 30 CFEERO C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)s1 ZINC000594428887 349419426 /nfs/dbraw/zinc/41/94/26/349419426.db2.gz PQKSEYCXYPJMNE-VHSXEESVSA-N 1 0 299.827 2.990 10 30 CFEERO CCC(CC)[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000104434658 186000980 /nfs/dbraw/zinc/00/09/80/186000980.db2.gz RRNKJXHXQLMIOH-LLVKDONJSA-N 1 0 278.421 2.613 10 30 CFEERO CC(C)(C)[N@@H+]1CCOC[C@H](c2cccc(C#N)c2)C1 ZINC000616660782 352402531 /nfs/dbraw/zinc/40/25/31/352402531.db2.gz QIPXKCGJYAHPBS-OAHLLOKOSA-N 1 0 258.365 2.773 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261653454 283092823 /nfs/dbraw/zinc/09/28/23/283092823.db2.gz JXIRQEJAVNWDNJ-AWEZNQCLSA-N 1 0 295.308 2.767 10 30 CFEERO N#Cc1cc(Cl)ccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000131053717 283095033 /nfs/dbraw/zinc/09/50/33/283095033.db2.gz VTHZUDRQFTXOGH-GDLCADMTSA-N 1 0 275.783 2.775 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)c(C#N)c1 ZINC000180830449 189278317 /nfs/dbraw/zinc/27/83/17/189278317.db2.gz PJKNCXCIVAZSJK-HZPDHXFCSA-N 1 0 287.382 2.756 10 30 CFEERO C=C(Cl)CC(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685959356 541473683 /nfs/dbraw/zinc/47/36/83/541473683.db2.gz SHYHIQUPKOGAQD-RISCZKNCSA-N 1 0 267.756 2.631 10 30 CFEERO CC1(C)CCC[NH2+][C@H]1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000232988230 189818962 /nfs/dbraw/zinc/81/89/62/189818962.db2.gz PRQHXTNGRZKTPO-AWEZNQCLSA-N 1 0 288.351 2.657 10 30 CFEERO O=C(C[n+]1ccccc1Br)c1cccs1 ZINC000026441409 372320115 /nfs/dbraw/zinc/32/01/15/372320115.db2.gz NESJWLKFDICAPU-UHFFFAOYSA-N 1 0 283.170 2.681 10 30 CFEERO CCC[N@H+](CCC#N)[C@H]1CCc2c(O)cccc2C1 ZINC000028012139 372354829 /nfs/dbraw/zinc/35/48/29/372354829.db2.gz VPXYSXNSOBNJNU-AWEZNQCLSA-N 1 0 258.365 2.875 10 30 CFEERO CC#CC[N@@H+](C)Cc1cc2cc(OC)ccc2n1C ZINC000029405721 372379932 /nfs/dbraw/zinc/37/99/32/372379932.db2.gz KKLZNQRBJZRIGV-UHFFFAOYSA-N 1 0 256.349 2.642 10 30 CFEERO C#CC[NH2+]Cc1cc(Br)ccc1OCC ZINC000045945299 373037982 /nfs/dbraw/zinc/03/79/82/373037982.db2.gz WNXAYKTXNBHPRW-UHFFFAOYSA-N 1 0 268.154 2.571 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1NCC[NH2+]C1CC1 ZINC000054267828 373509440 /nfs/dbraw/zinc/50/94/40/373509440.db2.gz MTVCMLIATSXHFU-UHFFFAOYSA-N 1 0 269.270 2.741 10 30 CFEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000066391670 373927181 /nfs/dbraw/zinc/92/71/81/373927181.db2.gz QDYSRIPRMRVFSJ-NXEZZACHSA-N 1 0 284.762 2.820 10 30 CFEERO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000078595287 374569567 /nfs/dbraw/zinc/56/95/67/374569567.db2.gz OGURPYWEHHSRDS-LSDHHAIUSA-N 1 0 287.407 2.956 10 30 CFEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733245 374942929 /nfs/dbraw/zinc/94/29/29/374942929.db2.gz RRZSVGRDQHTLBB-SOUVJXGZSA-N 1 0 274.412 2.636 10 30 CFEERO C=CCC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000089732599 374943099 /nfs/dbraw/zinc/94/30/99/374943099.db2.gz ILLLZTZJBSRWJM-HZPDHXFCSA-N 1 0 286.423 2.780 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(C#N)cc1F ZINC000092628703 375131037 /nfs/dbraw/zinc/13/10/37/375131037.db2.gz IRYLEBQNSRXZPJ-OAHLLOKOSA-N 1 0 275.371 2.613 10 30 CFEERO C[NH+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000105569325 375791470 /nfs/dbraw/zinc/79/14/70/375791470.db2.gz MIMYMOARRQPCDR-GFCCVEGCSA-N 1 0 283.297 2.717 10 30 CFEERO C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000123987715 377005466 /nfs/dbraw/zinc/00/54/66/377005466.db2.gz IGISEUNWMJLLGN-YGRLFVJLSA-N 1 0 297.324 2.963 10 30 CFEERO CCC([NH3+])(CC)CNc1c(F)cc(C#N)cc1F ZINC000130091197 377510055 /nfs/dbraw/zinc/51/00/55/377510055.db2.gz WYHRGILHHNYCKG-UHFFFAOYSA-N 1 0 253.296 2.766 10 30 CFEERO Cc1ccnc(NCC[NH2+]C2CCCCCC2)c1C#N ZINC000133553600 377939488 /nfs/dbraw/zinc/93/94/88/377939488.db2.gz YZUVMPBPJZPJNA-UHFFFAOYSA-N 1 0 272.396 2.986 10 30 CFEERO C[C@H]1CCC[C@](CNc2ccc(C#N)nc2)([NH+](C)C)C1 ZINC000149374126 378264205 /nfs/dbraw/zinc/26/42/05/378264205.db2.gz CTKBGTDXQQZYTD-BBRMVZONSA-N 1 0 272.396 2.876 10 30 CFEERO C[NH2+][C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000164075505 379004296 /nfs/dbraw/zinc/00/42/96/379004296.db2.gz UOVQNOOZFBZTIQ-NSHDSACASA-N 1 0 283.297 2.765 10 30 CFEERO N#Cc1cc(Br)ccc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000335583148 379555451 /nfs/dbraw/zinc/55/54/51/379555451.db2.gz VPAQWJNZCKFHKJ-JOYOIKCWSA-N 1 0 294.196 2.860 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC#Cc1ccc(F)cc1 ZINC000180832023 380704199 /nfs/dbraw/zinc/70/41/99/380704199.db2.gz RWOBIOFHPMQQOF-QZTJIDSGSA-N 1 0 286.394 2.736 10 30 CFEERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404193788 380902305 /nfs/dbraw/zinc/90/23/05/380902305.db2.gz FPGWQPIYYYRIHL-OAHLLOKOSA-N 1 0 277.387 2.763 10 30 CFEERO CC(=O)c1ccc(C#N)cc1N1CC[NH+](CCC(C)C)CC1 ZINC000302086494 382206561 /nfs/dbraw/zinc/20/65/61/382206561.db2.gz FDCGFGOAENEIBL-UHFFFAOYSA-N 1 0 299.418 2.929 10 30 CFEERO CCCCCCC[N@@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000192014286 382704079 /nfs/dbraw/zinc/70/40/79/382704079.db2.gz NBGPJHGPZIWMOJ-HNNXBMFYSA-N 1 0 284.444 2.828 10 30 CFEERO C=CCCCCC[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000193338390 382718881 /nfs/dbraw/zinc/71/88/81/382718881.db2.gz JHYIPJNDGMWUCG-INIZCTEOSA-N 1 0 277.412 2.639 10 30 CFEERO C=CCCCCC[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000193338402 382718977 /nfs/dbraw/zinc/71/89/77/382718977.db2.gz JHYIPJNDGMWUCG-MRXNPFEDSA-N 1 0 277.412 2.639 10 30 CFEERO C=CCCCCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000193335250 382718980 /nfs/dbraw/zinc/71/89/80/382718980.db2.gz VGTKMZHKUIENMS-UHFFFAOYSA-N 1 0 274.412 2.735 10 30 CFEERO Cc1ccc([C@H](C)NCC(=O)Nc2sccc2C#N)o1 ZINC000193639611 382721775 /nfs/dbraw/zinc/72/17/75/382721775.db2.gz KSMHDQZNNYUFJF-JTQLQIEISA-N 1 0 289.360 2.811 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1NCC1([NH3+])CCC1 ZINC000236186315 382892285 /nfs/dbraw/zinc/89/22/85/382892285.db2.gz NJISTIHCNDFFGC-UHFFFAOYSA-N 1 0 269.270 2.870 10 30 CFEERO C=CCN(CC1CCCCC1)C(=O)[C@H]([NH3+])CCC ZINC000236899424 382928478 /nfs/dbraw/zinc/92/84/78/382928478.db2.gz REZZLGWFRDDTRL-CQSZACIVSA-N 1 0 252.402 2.709 10 30 CFEERO C[C@H](C#N)Oc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000245737137 383030139 /nfs/dbraw/zinc/03/01/39/383030139.db2.gz LCFJGJFQJGKRPK-UXLLHSPISA-N 1 0 299.418 2.646 10 30 CFEERO N#Cc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)s1 ZINC000245765245 383033479 /nfs/dbraw/zinc/03/34/79/383033479.db2.gz QRPYJKSECWBZKG-SWLSCSKDSA-N 1 0 276.405 2.747 10 30 CFEERO C=CCC[C@H](O)C[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000245993889 383056307 /nfs/dbraw/zinc/05/63/07/383056307.db2.gz HAFYCYIQXIWBCE-KBPBESRZSA-N 1 0 280.437 2.958 10 30 CFEERO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000246007485 383057866 /nfs/dbraw/zinc/05/78/66/383057866.db2.gz KCCZALFRUNEIIE-STQMWFEESA-N 1 0 266.410 2.997 10 30 CFEERO C=CCC(CC=C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000246106626 383062696 /nfs/dbraw/zinc/06/26/96/383062696.db2.gz OHZSUHJETAKOTO-HOTGVXAUSA-N 1 0 276.424 2.840 10 30 CFEERO C=C[C@@](C)(CC)C(=O)N1CCN(CCOCC)[C@@H](CC)C1 ZINC000249111395 383327835 /nfs/dbraw/zinc/32/78/35/383327835.db2.gz RLDUDDYDZRLZCN-RDJZCZTQSA-N 1 0 296.455 2.548 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)c(F)c1 ZINC000248801427 383290700 /nfs/dbraw/zinc/29/07/00/383290700.db2.gz ABKVLCMARHIOPR-HOTGVXAUSA-N 1 0 287.382 2.756 10 30 CFEERO C[C@H]([NH3+])[C@H](C)Nc1ccc(C#N)cc1C(F)(F)F ZINC000261580758 383519763 /nfs/dbraw/zinc/51/97/63/383519763.db2.gz QEHJDPPUZYCBBR-YUMQZZPRSA-N 1 0 257.259 2.725 10 30 CFEERO Cc1nc(N[C@@H]2CCCC[C@H]2C[NH3+])c(Cl)cc1C#N ZINC000261593345 383523859 /nfs/dbraw/zinc/52/38/59/383523859.db2.gz NACBAKBGKYIPHJ-GXFFZTMASA-N 1 0 278.787 2.845 10 30 CFEERO C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638873470 385005099 /nfs/dbraw/zinc/00/50/99/385005099.db2.gz AHLQZQNSSRIELL-OLZOCXBDSA-N 1 0 252.402 2.613 10 30 CFEERO Cc1cc(C#N)ccc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000186194737 393542219 /nfs/dbraw/zinc/54/22/19/393542219.db2.gz FFRMSBQJMPAHIS-UHFFFAOYSA-N 1 0 294.402 2.980 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1C ZINC000186309181 393543535 /nfs/dbraw/zinc/54/35/35/393543535.db2.gz YVHLJEIZMWBTBG-ZWKOTPCHSA-N 1 0 283.419 2.925 10 30 CFEERO CCO[C@@H]1C[C@@H]([N@H+](C)CCCC#N)C12CCCC2 ZINC000121164019 393950191 /nfs/dbraw/zinc/95/01/91/393950191.db2.gz SZJGZEOXFYKKQN-ZIAGYGMSSA-N 1 0 250.386 2.960 10 30 CFEERO C[C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000253182825 134450292 /nfs/dbraw/zinc/45/02/92/134450292.db2.gz GECVXGOXLXJOFL-ZYHUDNBSSA-N 1 0 297.324 2.998 10 30 CFEERO N#Cc1cnc2ccccc2c1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262137553 393953218 /nfs/dbraw/zinc/95/32/18/393953218.db2.gz MCEIEZZMRGFKIS-RCBQFDQVSA-N 1 0 292.386 2.670 10 30 CFEERO CC#C[C@@]1(O)CCC[C@H](OCC[NH+](C(C)C)C(C)C)C1 ZINC000005158111 170071839 /nfs/dbraw/zinc/07/18/39/170071839.db2.gz RACBOBKMDDZSAZ-DLBZAZTESA-N 1 0 281.440 2.819 10 30 CFEERO C=CC[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000035159848 172018003 /nfs/dbraw/zinc/01/80/03/172018003.db2.gz PGJDCADIZPPYOF-UHFFFAOYSA-N 1 0 259.136 2.708 10 30 CFEERO CC[NH2+]Cc1cccc(NC(=O)c2ccc(C#N)cc2)c1 ZINC000036281344 172572980 /nfs/dbraw/zinc/57/29/80/172572980.db2.gz CPHIXLMVTNEGEE-UHFFFAOYSA-N 1 0 279.343 2.920 10 30 CFEERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037393479 173173797 /nfs/dbraw/zinc/17/37/97/173173797.db2.gz YICIAHNTPIZWQM-QPUJVOFHSA-N 1 0 265.744 2.524 10 30 CFEERO C=CCOc1c(Br)cc(CC[NH3+])cc1OC ZINC000037720625 173639037 /nfs/dbraw/zinc/63/90/37/173639037.db2.gz DCWMLKTVUFWLFU-UHFFFAOYSA-N 1 0 286.169 2.524 10 30 CFEERO C[C@@H](CNc1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000038029294 174019821 /nfs/dbraw/zinc/01/98/21/174019821.db2.gz PDBIHWGQZIIFRG-LBPRGKRZSA-N 1 0 261.344 2.984 10 30 CFEERO C[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000038029272 174019846 /nfs/dbraw/zinc/01/98/46/174019846.db2.gz NEOWZZASJWOOCC-LBPRGKRZSA-N 1 0 288.351 2.753 10 30 CFEERO C=CCC1(NC(=O)C2CCC([NH3+])CC2)CCCC1 ZINC000662889603 414629791 /nfs/dbraw/zinc/62/97/91/414629791.db2.gz ZDKXOVYPIDZUNK-UHFFFAOYSA-N 1 0 250.386 2.509 10 30 CFEERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000040502172 174298495 /nfs/dbraw/zinc/29/84/95/174298495.db2.gz XKIVVYRHVQOHDT-XJKSGUPXSA-N 1 0 257.381 2.693 10 30 CFEERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000040502949 174299247 /nfs/dbraw/zinc/29/92/47/174299247.db2.gz SVIUTAXIKBYVHH-BBRMVZONSA-N 1 0 257.381 2.693 10 30 CFEERO C#CCN1CCC([NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000040518295 174308039 /nfs/dbraw/zinc/30/80/39/174308039.db2.gz ZUWFJFXMLXUWRU-LBPRGKRZSA-N 1 0 277.437 2.508 10 30 CFEERO C[C@H]1CC[N@H+](CCCC(=O)Nc2cccc(C#N)c2)C1 ZINC000040718189 174384935 /nfs/dbraw/zinc/38/49/35/174384935.db2.gz YRSQNMBCWYSNDV-ZDUSSCGKSA-N 1 0 271.364 2.619 10 30 CFEERO CC(C)CN(C(=O)c1cc(C#CC[NH3+])ccc1F)C(C)C ZINC000042598113 174815429 /nfs/dbraw/zinc/81/54/29/174815429.db2.gz QAJYFAQAXIOCJC-UHFFFAOYSA-N 1 0 290.382 2.643 10 30 CFEERO Cc1c(F)cccc1NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000043322878 175006359 /nfs/dbraw/zinc/00/63/59/175006359.db2.gz DNFKGUCPFIPYOU-UHFFFAOYSA-N 1 0 288.347 2.758 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1cccc(C#N)c1)C(F)(F)F ZINC000043384407 175031613 /nfs/dbraw/zinc/03/16/13/175031613.db2.gz XZRVWCWBODIBMN-QWRGUYRKSA-N 1 0 258.243 2.605 10 30 CFEERO N#Cc1ccccc1OCCC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043425355 175039931 /nfs/dbraw/zinc/03/99/31/175039931.db2.gz UACYTWRZLDSJKQ-RDJZCZTQSA-N 1 0 286.375 2.580 10 30 CFEERO CCOc1cc(C[NH2+]C2CC2)ccc1O[C@@H](C)C#N ZINC000043513467 175061712 /nfs/dbraw/zinc/06/17/12/175061712.db2.gz IOVKBTIIKAUYST-NSHDSACASA-N 1 0 260.337 2.628 10 30 CFEERO CCOc1cccc(C[C@@H]([NH3+])CC)c1O[C@@H](C)C#N ZINC000043518789 175062163 /nfs/dbraw/zinc/06/21/63/175062163.db2.gz CNHVYHFCOUGAFI-AAEUAGOBSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@@H](C#N)Oc1ccc2c(c1)OC(C)(C)C[C@H]2[NH3+] ZINC000043539030 175063725 /nfs/dbraw/zinc/06/37/25/175063725.db2.gz VQUURAAPLMRDDR-GXFFZTMASA-N 1 0 260.337 2.928 10 30 CFEERO CC[C@@H]1CCCCN1C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043582902 175070099 /nfs/dbraw/zinc/07/00/99/175070099.db2.gz ODRCMDZJYFGXAB-OAHLLOKOSA-N 1 0 288.366 2.541 10 30 CFEERO N#Cc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000043588540 175072665 /nfs/dbraw/zinc/07/26/65/175072665.db2.gz KUBCENMWYXZCKD-NSHDSACASA-N 1 0 291.782 2.930 10 30 CFEERO CCCC[N@H+](Cc1sccc1C#CCO)C1CC1 ZINC000043678171 175089018 /nfs/dbraw/zinc/08/90/18/175089018.db2.gz JOKKYNSCVBJPDN-UHFFFAOYSA-N 1 0 263.406 2.856 10 30 CFEERO CCCC[N@H+](C)Cc1ccc(C#CCCO)s1 ZINC000043679053 175089466 /nfs/dbraw/zinc/08/94/66/175089466.db2.gz JDQQHSOLZLCXPS-UHFFFAOYSA-N 1 0 251.395 2.714 10 30 CFEERO COCC[N@@H+](Cc1ccc(C#CCCO)s1)CC(C)C ZINC000043679785 175090188 /nfs/dbraw/zinc/09/01/88/175090188.db2.gz HZFYIEICYHOOOV-UHFFFAOYSA-N 1 0 295.448 2.586 10 30 CFEERO CC(C)C[N@H+](C)Cc1sccc1C#CCCO ZINC000043679523 175090395 /nfs/dbraw/zinc/09/03/95/175090395.db2.gz LGECDZUAKXCBCL-UHFFFAOYSA-N 1 0 251.395 2.570 10 30 CFEERO CC[C@@H](C)C[N@H+](C)Cc1sccc1C#CCCO ZINC000043679569 175090676 /nfs/dbraw/zinc/09/06/76/175090676.db2.gz VUZMOINTVCSZJC-CYBMUJFWSA-N 1 0 265.422 2.960 10 30 CFEERO CC(C)C[C@@H](C)[N@H+](C)Cc1ccc(C#CCO)s1 ZINC000043681971 175090960 /nfs/dbraw/zinc/09/09/60/175090960.db2.gz AROFYUKMBGCKMM-CYBMUJFWSA-N 1 0 265.422 2.958 10 30 CFEERO [NH3+]CC#Cc1ccc(CN(Cc2ccco2)C2CC2)s1 ZINC000043684247 175092879 /nfs/dbraw/zinc/09/28/79/175092879.db2.gz IWEFRXJVMOUAGH-UHFFFAOYSA-N 1 0 286.400 2.816 10 30 CFEERO [NH3+]CC#Cc1ccsc1COCc1ccccc1 ZINC000043684546 175093149 /nfs/dbraw/zinc/09/31/49/175093149.db2.gz NNTYUKVLJOJRIR-UHFFFAOYSA-N 1 0 257.358 2.775 10 30 CFEERO [NH3+]CC#Cc1csc(CN(CC(F)(F)F)C2CC2)c1 ZINC000043689134 175096249 /nfs/dbraw/zinc/09/62/49/175096249.db2.gz MHTFUULBOODRKE-UHFFFAOYSA-N 1 0 288.338 2.585 10 30 CFEERO CC(C)[C@H](C)[N@H+](C)Cc1cc(C#CCO)cs1 ZINC000043698619 175096554 /nfs/dbraw/zinc/09/65/54/175096554.db2.gz DQSMVCAMRLTVPA-LBPRGKRZSA-N 1 0 251.395 2.568 10 30 CFEERO CC(C)[C@@H](C)[N@H+](C)Cc1cc(C#CCCO)cs1 ZINC000043698620 175096609 /nfs/dbraw/zinc/09/66/09/175096609.db2.gz HSOQOGSMRNVSQP-CYBMUJFWSA-N 1 0 265.422 2.958 10 30 CFEERO CC[N@@H+]1CC[C@@H](CNc2nc3c(cc2C#N)CCCC3)C1 ZINC000044419972 175173791 /nfs/dbraw/zinc/17/37/91/175173791.db2.gz NZOIRAXMNWNCSM-ZDUSSCGKSA-N 1 0 284.407 2.586 10 30 CFEERO CC1([NH2+]C[C@@H](O)COc2ccccc2C#N)CCCCC1 ZINC000045045169 175296028 /nfs/dbraw/zinc/29/60/28/175296028.db2.gz HQDUJHSYCFUQQQ-OAHLLOKOSA-N 1 0 288.391 2.610 10 30 CFEERO CC1([NH2+]C[C@H](O)COc2cccc(C#N)c2)CCCCC1 ZINC000045045171 175296037 /nfs/dbraw/zinc/29/60/37/175296037.db2.gz WEMLHPQVFNXIKJ-HNNXBMFYSA-N 1 0 288.391 2.610 10 30 CFEERO CC1(NC(=O)c2ccc(C#CC[NH3+])c(F)c2)CCCCC1 ZINC000045047658 175297017 /nfs/dbraw/zinc/29/70/17/175297017.db2.gz IHURGCCMDARSMG-UHFFFAOYSA-N 1 0 288.366 2.589 10 30 CFEERO CC[C@H](C)N1C(=O)c2ccc(C[NH+](C)C)cc2C1C#N ZINC000071680415 176244648 /nfs/dbraw/zinc/24/46/48/176244648.db2.gz ZGZIJFWDMZACDB-NHYWBVRUSA-N 1 0 271.364 2.567 10 30 CFEERO CC[C@H](C)NC(N[C@@H]1C[C@@H]1c1c(F)cccc1F)=[NH+]C ZINC000127581834 264263008 /nfs/dbraw/zinc/26/30/08/264263008.db2.gz VLNSTXKYQBECJN-OUJBWJOFSA-N 1 0 281.350 2.784 10 30 CFEERO C[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)[C@H](C[NH3+])C1 ZINC000261595044 274304494 /nfs/dbraw/zinc/30/44/94/274304494.db2.gz CZNIQEYYGYAOKR-OCCSQVGLSA-N 1 0 280.375 2.670 10 30 CFEERO C[C@H]1CN(c2ccc(C#N)cc2Br)[C@@H](C)C[NH2+]1 ZINC000127281791 274592998 /nfs/dbraw/zinc/59/29/98/274592998.db2.gz VHVYPXLTDMVOAJ-UWVGGRQHSA-N 1 0 294.196 2.507 10 30 CFEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1cccc(Br)c1C#N ZINC000169111703 274630839 /nfs/dbraw/zinc/63/08/39/274630839.db2.gz DXCLYICNDCDOTR-SKDRFNHKSA-N 1 0 294.196 2.873 10 30 CFEERO CC1(C)CCC[NH2+][C@H]1CNc1c(C#N)nnc2ccccc21 ZINC000262538360 275817046 /nfs/dbraw/zinc/81/70/46/275817046.db2.gz QRBDFHWFZMZZMO-HNNXBMFYSA-N 1 0 295.390 2.692 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nc(C)c(C#N)cc1Cl ZINC000336829844 276370869 /nfs/dbraw/zinc/37/08/69/276370869.db2.gz DPXMANFIMUOSQV-CYBMUJFWSA-N 1 0 292.814 2.836 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(C#N)ccc1C(C)=O ZINC000131310965 276377488 /nfs/dbraw/zinc/37/74/88/276377488.db2.gz CUICVXHVVGWUCQ-HNNXBMFYSA-N 1 0 285.391 2.681 10 30 CFEERO CC(C)[NH2+][C@H]1CCOC[C@H]1Cc1ccc(C#N)cc1 ZINC000095088428 277666334 /nfs/dbraw/zinc/66/63/34/277666334.db2.gz INVMRSXXEQUPHT-CVEARBPZSA-N 1 0 258.365 2.504 10 30 CFEERO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000119306351 327899346 /nfs/dbraw/zinc/89/93/46/327899346.db2.gz ANYOJJHXCTUDRZ-KGLIPLIRSA-N 1 0 280.371 2.628 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382478019 324428954 /nfs/dbraw/zinc/42/89/54/324428954.db2.gz KQUFUELLCMILNK-SCZZXKLOSA-N 1 0 284.285 2.511 10 30 CFEERO C=C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000179342583 329207129 /nfs/dbraw/zinc/20/71/29/329207129.db2.gz XZEFPAYWVUVMNR-NVXWUHKLSA-N 1 0 284.403 2.653 10 30 CFEERO C[NH+]=C(NCC1(C2CC2)CC1)N(C)Cc1csc(C)n1 ZINC000261837999 329986028 /nfs/dbraw/zinc/98/60/28/329986028.db2.gz VYFHFLONYJAJEA-UHFFFAOYSA-N 1 0 292.452 2.649 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)N[C@@H]1CCC[C@@H]1C#N ZINC000262420245 330009224 /nfs/dbraw/zinc/00/92/24/330009224.db2.gz QVIBRNWQNRNWGM-QKPAOTATSA-N 1 0 288.439 2.812 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N(C)Cc1ccccc1Cl ZINC000262524489 330019435 /nfs/dbraw/zinc/01/94/35/330019435.db2.gz GCHNBUXBCUUKLQ-GXFFZTMASA-N 1 0 265.788 2.756 10 30 CFEERO [NH2+]=C(NCc1ncoc1-c1ccccc1)NCC1CCC1 ZINC000262566772 330021485 /nfs/dbraw/zinc/02/14/85/330021485.db2.gz YBVVJOXRYIPMTA-UHFFFAOYSA-N 1 0 284.363 2.546 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N1CC=C(c2ccccc2)CC1 ZINC000262593492 330022427 /nfs/dbraw/zinc/02/24/27/330022427.db2.gz VVJQOAGPKAUQTG-CZUORRHYSA-N 1 0 269.392 2.760 10 30 CFEERO CC[NH+]=C(NCC1CCSCC1)N[C@H](C)C(C)C ZINC000262766199 330030069 /nfs/dbraw/zinc/03/00/69/330030069.db2.gz HGGOPIWENFPIEX-GFCCVEGCSA-N 1 0 271.474 2.729 10 30 CFEERO CCc1ccc(NC(=[NH2+])N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1 ZINC000262829410 330034545 /nfs/dbraw/zinc/03/45/45/330034545.db2.gz RARAVIGNXPXDGL-ZNMIVQPWSA-N 1 0 273.380 2.543 10 30 CFEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1C[C@H]1C(C)C ZINC000263076779 330042457 /nfs/dbraw/zinc/04/24/57/330042457.db2.gz HFRKXGADLBBNEW-GXTWGEPZSA-N 1 0 261.369 2.604 10 30 CFEERO CC[NH+]=C(NCCc1nc(CC)c(C)s1)N1CCCC1 ZINC000263278728 330051554 /nfs/dbraw/zinc/05/15/54/330051554.db2.gz ZIJBZAXISVENOI-UHFFFAOYSA-N 1 0 294.468 2.618 10 30 CFEERO C=CC[C@H](C)[C@H](C)[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263504321 330058249 /nfs/dbraw/zinc/05/82/49/330058249.db2.gz LOJYUMGRVQWKEA-VRLRAXNCSA-N 1 0 294.439 2.504 10 30 CFEERO C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1Cl ZINC000424075765 330220722 /nfs/dbraw/zinc/22/07/22/330220722.db2.gz KJDFTNRAQSXMQK-MFKMUULPSA-N 1 0 279.771 2.538 10 30 CFEERO CC(C)(C)OC(=O)C(C)(C)[C@@H]([NH3+])c1ccc(C#N)cc1 ZINC000536960259 330384122 /nfs/dbraw/zinc/38/41/22/330384122.db2.gz XDHSRKORWQERTB-ZDUSSCGKSA-N 1 0 274.364 2.926 10 30 CFEERO CCCC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174840630 333008508 /nfs/dbraw/zinc/00/85/08/333008508.db2.gz MCWXWRLHDMMMSD-CQSZACIVSA-N 1 0 279.428 2.697 10 30 CFEERO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000185928903 333151861 /nfs/dbraw/zinc/15/18/61/333151861.db2.gz GVPFTVOHHCYGKG-LSDHHAIUSA-N 1 0 266.429 2.825 10 30 CFEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC#Cc1ccc(Cl)cc1 ZINC000246380097 334254957 /nfs/dbraw/zinc/25/49/57/334254957.db2.gz OTXMMJKTZVVUQQ-PBHICJAKSA-N 1 0 288.822 2.860 10 30 CFEERO CCC[NH2+]CCNc1ccc(Br)cc1C#N ZINC000165301109 519918894 /nfs/dbraw/zinc/91/88/94/519918894.db2.gz VTZQIEJQGKMGNB-UHFFFAOYSA-N 1 0 282.185 2.732 10 30 CFEERO CC[NH2+]CCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000164076588 519922945 /nfs/dbraw/zinc/92/29/45/519922945.db2.gz ZYPKWLANAXXZAV-UHFFFAOYSA-N 1 0 257.259 2.598 10 30 CFEERO CCN[C@@](C)(C#N)CC[NH+]1CCC(C)(CC)CC1 ZINC000062955927 520128378 /nfs/dbraw/zinc/12/83/78/520128378.db2.gz VUGHZDYRZXOSIC-OAHLLOKOSA-N 1 0 251.418 2.780 10 30 CFEERO C=CCOc1ccc(C[NH2+][C@@H](CN(C)C)C(C)C)cc1 ZINC000049197057 519035615 /nfs/dbraw/zinc/03/56/15/519035615.db2.gz UCVRFHUNHLRIJP-KRWDZBQOSA-N 1 0 276.424 2.927 10 30 CFEERO CC(C)CC[N@H+](C)Cc1cccc(C#CCCO)c1 ZINC000049614912 519650935 /nfs/dbraw/zinc/65/09/35/519650935.db2.gz YTXZNGGKPRZGED-UHFFFAOYSA-N 1 0 259.393 2.898 10 30 CFEERO CC(C)[C@@H]([NH3+])CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000164095869 519796425 /nfs/dbraw/zinc/79/64/25/519796425.db2.gz AAXMDZILZSFGAL-LBPRGKRZSA-N 1 0 271.286 2.972 10 30 CFEERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000049199125 519814769 /nfs/dbraw/zinc/81/47/69/519814769.db2.gz IHYTZUQRQGHKFN-BBRMVZONSA-N 1 0 259.397 2.795 10 30 CFEERO CCC1CC[NH+](Cc2cc(C#CCO)ccc2OC)CC1 ZINC000049614981 519859270 /nfs/dbraw/zinc/85/92/70/519859270.db2.gz DGDWYGGIBVBDHN-UHFFFAOYSA-N 1 0 287.403 2.661 10 30 CFEERO CCC1CC[NH+](Cc2ccccc2C#CCO)CC1 ZINC000049614977 519859709 /nfs/dbraw/zinc/85/97/09/519859709.db2.gz SHLIZLQMWTWYER-UHFFFAOYSA-N 1 0 257.377 2.652 10 30 CFEERO CC(C)c1nccn1Cc1ccc(C#CC[NH3+])cc1F ZINC000049610135 519880087 /nfs/dbraw/zinc/88/00/87/519880087.db2.gz LPXDIJMFLMULJW-UHFFFAOYSA-N 1 0 271.339 2.504 10 30 CFEERO CCCC1CC[NH+](CCC[C@](C)(C#N)NC)CC1 ZINC000050905519 519900683 /nfs/dbraw/zinc/90/06/83/519900683.db2.gz MYIRBXDXEPQBMH-OAHLLOKOSA-N 1 0 251.418 2.780 10 30 CFEERO CCCC1CC[NH+](CC[C@@H](C#N)NC(C)C)CC1 ZINC000062438759 519901305 /nfs/dbraw/zinc/90/13/05/519901305.db2.gz NHTAQZAROZKBDA-HNNXBMFYSA-N 1 0 251.418 2.779 10 30 CFEERO CCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586693 520613272 /nfs/dbraw/zinc/61/32/72/520613272.db2.gz VBFKAVSZDUUEIV-KGLIPLIRSA-N 1 0 272.392 2.610 10 30 CFEERO CC[NH+](CC)CCN[C@@]1(C#N)CCCc2sccc21 ZINC000061329731 520689120 /nfs/dbraw/zinc/68/91/20/520689120.db2.gz YGUJZVFUTCRNFG-OAHLLOKOSA-N 1 0 277.437 2.735 10 30 CFEERO CC[NH+](CC)C[C@H](C)N[C@@H](CC#N)c1ccccc1 ZINC000055018956 520735353 /nfs/dbraw/zinc/73/53/53/520735353.db2.gz OAIZCGKYPWMMMJ-HOCLYGCPSA-N 1 0 259.397 2.961 10 30 CFEERO CC1CCC(OCCOc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049610620 520963212 /nfs/dbraw/zinc/96/32/12/520963212.db2.gz QVGZBYOYEWWDNV-UHFFFAOYSA-N 1 0 287.403 2.971 10 30 CFEERO CCCC[C@@H](C[NH3+])Nc1nc(C)c(C#N)cc1Cl ZINC000310987948 521049026 /nfs/dbraw/zinc/04/90/26/521049026.db2.gz KUGVHDVKCJISAS-NSHDSACASA-N 1 0 266.776 2.845 10 30 CFEERO CC[N@H+](Cc1ccc(F)c(C#CCO)c1)C1CCCC1 ZINC000049618379 521312879 /nfs/dbraw/zinc/31/28/79/521312879.db2.gz WOAXHUJFRALDGA-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO CC[N@H+](Cc1cccs1)CC1(C=O)CCOCC1 ZINC000052180274 521407285 /nfs/dbraw/zinc/40/72/85/521407285.db2.gz JBGCCLFMWDHNSD-UHFFFAOYSA-N 1 0 267.394 2.566 10 30 CFEERO CC[N@@H+]1CCC[C@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000083420379 521649935 /nfs/dbraw/zinc/64/99/35/521649935.db2.gz BMEGGOJYMFHBRS-NSHDSACASA-N 1 0 265.307 2.733 10 30 CFEERO CC[C@H]1CCC[N@H+](Cc2ccc(C#CCO)cc2)C1 ZINC000049613050 523092344 /nfs/dbraw/zinc/09/23/44/523092344.db2.gz BRVCWSTYWFZLHF-HNNXBMFYSA-N 1 0 257.377 2.652 10 30 CFEERO CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(C#CCO)c2)C1 ZINC000049613060 523092577 /nfs/dbraw/zinc/09/25/77/523092577.db2.gz GMPZHOOFHAYHGV-HNNXBMFYSA-N 1 0 287.403 2.661 10 30 CFEERO CC[C@H]1CCC[N@@H+]1Cc1ccccc1C#CCCO ZINC000049615109 523110955 /nfs/dbraw/zinc/11/09/55/523110955.db2.gz BJRAPQWVDMSCSX-KRWDZBQOSA-N 1 0 257.377 2.795 10 30 CFEERO CN(Cc1cccs1)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609095 523447040 /nfs/dbraw/zinc/44/70/40/523447040.db2.gz MYQOSYPGDNAQSV-UHFFFAOYSA-N 1 0 288.391 2.829 10 30 CFEERO C[N@H+](Cc1cccs1)Cc1ccc(C#CCO)cc1 ZINC000049618128 523448102 /nfs/dbraw/zinc/44/81/02/523448102.db2.gz LYJOOPXVCWUEDJ-UHFFFAOYSA-N 1 0 271.385 2.724 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1COCc1ccccc1 ZINC000049610344 523514482 /nfs/dbraw/zinc/51/44/82/523514482.db2.gz MJRBRVJVDBYILF-UHFFFAOYSA-N 1 0 281.355 2.722 10 30 CFEERO C[N@@H+]1CCCC[C@@H]1CN[C@@H](CC#N)c1ccccc1 ZINC000055018585 523795938 /nfs/dbraw/zinc/79/59/38/523795938.db2.gz HEMMHBUEYLBVIX-CVEARBPZSA-N 1 0 257.381 2.715 10 30 CFEERO C[N@@H+]1CCCC[C@H]1CCNc1ccc(F)c(C#N)c1 ZINC000052206370 523797562 /nfs/dbraw/zinc/79/75/62/523797562.db2.gz NDCJSQFDWAZAHD-AWEZNQCLSA-N 1 0 261.344 2.984 10 30 CFEERO COc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C#CCO ZINC000049616645 524042069 /nfs/dbraw/zinc/04/20/69/524042069.db2.gz VFAZPGJPJLKLKI-HUUCEWRRSA-N 1 0 287.403 2.517 10 30 CFEERO COc1ccc(C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1C#CCO ZINC000049616908 524043551 /nfs/dbraw/zinc/04/35/51/524043551.db2.gz JWESJIDAMKYUFE-GJZGRUSLSA-N 1 0 287.403 2.802 10 30 CFEERO COc1ccc(CO[C@H](C)CC(C)C)cc1C#CC[NH3+] ZINC000049610811 524118790 /nfs/dbraw/zinc/11/87/90/524118790.db2.gz KFQRLMLFQXUSTD-CQSZACIVSA-N 1 0 275.392 2.957 10 30 CFEERO C[C@@H]1CCC[N@H+](CCOc2ccc(C#CCCO)cc2)C1 ZINC000049615993 524230050 /nfs/dbraw/zinc/23/00/50/524230050.db2.gz VEHFVQNJNITEPH-MRXNPFEDSA-N 1 0 287.403 2.531 10 30 CFEERO C[C@@H]1CCC[C@H](OCCOc2ccc(C#CC[NH3+])cc2)C1 ZINC000049610974 524411060 /nfs/dbraw/zinc/41/10/60/524411060.db2.gz BIHYTTAVCXKOCC-QAPCUYQASA-N 1 0 287.403 2.971 10 30 CFEERO Cc1cccc(N(C)C(=O)c2ccc(C#CC[NH3+])cc2)c1 ZINC000049991654 524518198 /nfs/dbraw/zinc/51/81/98/524518198.db2.gz ZDPTYOQUNVRUCI-UHFFFAOYSA-N 1 0 278.355 2.582 10 30 CFEERO C[C@@H]([NH3+])CCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000164082153 524998333 /nfs/dbraw/zinc/99/83/33/524998333.db2.gz AXVOXZIRTUHYLW-MRVPVSSYSA-N 1 0 257.259 2.726 10 30 CFEERO C[C@@H](NC(=O)c1ccccc1C#CC[NH3+])C1CCCCC1 ZINC000052344708 525349273 /nfs/dbraw/zinc/34/92/73/525349273.db2.gz JTAKWQQFXODNPT-CQSZACIVSA-N 1 0 284.403 2.695 10 30 CFEERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(C#CCO)c2)C1 ZINC000049616651 525385967 /nfs/dbraw/zinc/38/59/67/525385967.db2.gz MUKJYNJDJAGLFE-GASCZTMLSA-N 1 0 257.377 2.508 10 30 CFEERO C[C@@H]1Cc2ccccc2N1Cc1ccc(C#CC[NH3+])cc1 ZINC000049608554 525534326 /nfs/dbraw/zinc/53/43/26/525534326.db2.gz FQTNSMYAZJNBHX-OAHLLOKOSA-N 1 0 276.383 2.948 10 30 CFEERO C[C@@H]1Cc2ccccc2N1Cc1ccccc1C#CC[NH3+] ZINC000049608552 525534515 /nfs/dbraw/zinc/53/45/15/525534515.db2.gz IAFNCBIMLCSOMV-OAHLLOKOSA-N 1 0 276.383 2.948 10 30 CFEERO Cc1ccc([C@@H](C)NC(=O)c2ccccc2C#CC[NH3+])s1 ZINC000049189286 525718403 /nfs/dbraw/zinc/71/84/03/525718403.db2.gz FHQGGTQITZXONH-CYBMUJFWSA-N 1 0 298.411 2.858 10 30 CFEERO C[C@H](C#N)Oc1ccc(C[NH2+]C2CC2)cc1Br ZINC000062702234 525925158 /nfs/dbraw/zinc/92/51/58/525925158.db2.gz DOWWUAPZBKJUIK-SECBINFHSA-N 1 0 295.180 2.992 10 30 CFEERO N#Cc1cc(Cl)ccc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000052858717 526554218 /nfs/dbraw/zinc/55/42/18/526554218.db2.gz MVTKLPWAVBCLOQ-YHWZYXNKSA-N 1 0 261.756 2.670 10 30 CFEERO N#Cc1cc2c(nc1N[C@@H]1CCCCC[C@@H]1[NH3+])CCCC2 ZINC000063214333 526580585 /nfs/dbraw/zinc/58/05/85/526580585.db2.gz OKCVBCKTFMGUPS-GOEBONIOSA-N 1 0 284.407 2.904 10 30 CFEERO N#Cc1ccc(C[N@H+]2CCC[C@H]2CCCO)c(Cl)c1 ZINC000162898966 526613176 /nfs/dbraw/zinc/61/31/76/526613176.db2.gz ODEROPGQWSCAAP-AWEZNQCLSA-N 1 0 278.783 2.949 10 30 CFEERO N#Cc1ccc(COc2cc(C[NH3+])ccc2[N+](=O)[O-])cc1 ZINC000050516119 526629382 /nfs/dbraw/zinc/62/93/82/526629382.db2.gz DHKRJELWFWLFKS-UHFFFAOYSA-N 1 0 283.287 2.504 10 30 CFEERO Cc1sc(NC(=O)C[C@@H]2CCC[NH2+]C2)c(C#N)c1C ZINC000054308856 526881688 /nfs/dbraw/zinc/88/16/88/526881688.db2.gz DKUVERVKORYWBF-NSHDSACASA-N 1 0 277.393 2.565 10 30 CFEERO [NH3+]CC#Cc1cc(CN2Cc3ccccc3C2)ccc1F ZINC000050911918 527147230 /nfs/dbraw/zinc/14/72/30/527147230.db2.gz DFFYZTGLZHGTDM-UHFFFAOYSA-N 1 0 280.346 2.652 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1COC1CCCCC1 ZINC000049610326 527148704 /nfs/dbraw/zinc/14/87/04/527148704.db2.gz VSGFPORYYGXCOB-UHFFFAOYSA-N 1 0 261.340 2.985 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2ccccc2F)cc1 ZINC000049610447 527149680 /nfs/dbraw/zinc/14/96/80/527149680.db2.gz CJXYWXYPUNVXEA-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO [NH3+]CC#Cc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000049586278 527149720 /nfs/dbraw/zinc/14/97/20/527149720.db2.gz UUDRWWQWUYTHKI-UHFFFAOYSA-N 1 0 298.773 2.580 10 30 CFEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000061691996 527150166 /nfs/dbraw/zinc/15/01/66/527150166.db2.gz SLSBUCQTUZWLTM-UHFFFAOYSA-N 1 0 290.775 2.964 10 30 CFEERO [NH3+]CC#Cc1cccc(CNC(=O)c2ccccc2Cl)c1 ZINC000049586495 527152121 /nfs/dbraw/zinc/15/21/21/527152121.db2.gz ZKPRCCAANUSSLI-UHFFFAOYSA-N 1 0 298.773 2.580 10 30 CFEERO [NH3+]CC#Cc1ccccc1C(=O)Nc1nc(C2CC2)cs1 ZINC000049239574 527152976 /nfs/dbraw/zinc/15/29/76/527152976.db2.gz UIOYYRARSLOQIH-UHFFFAOYSA-N 1 0 297.383 2.583 10 30 CFEERO [NH3+]CC#Cc1ccccc1COCCc1cccs1 ZINC000049611175 527154637 /nfs/dbraw/zinc/15/46/37/527154637.db2.gz OBXBBSZUDSIQSW-UHFFFAOYSA-N 1 0 271.385 2.818 10 30 CFEERO [NH3+]CC#Cc1ccccc1OCc1ccc(F)cc1F ZINC000050886306 527155431 /nfs/dbraw/zinc/15/54/31/527155431.db2.gz TXIHGCDQRDQGFW-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO OCCC#Cc1cc(C[NH+]2CCCCCC2)ccc1F ZINC000049616154 527529934 /nfs/dbraw/zinc/52/99/34/527529934.db2.gz UHBRDVPRHYZXKV-UHFFFAOYSA-N 1 0 275.367 2.936 10 30 CFEERO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000042335612 620659841 /nfs/dbraw/zinc/65/98/41/620659841.db2.gz OYISAYSYPAEDKQ-KGLIPLIRSA-N 1 0 272.392 2.599 10 30 CFEERO CCCCCCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000157945329 617644606 /nfs/dbraw/zinc/64/46/06/617644606.db2.gz PQHXVUKCIOIYPU-HZPDHXFCSA-N 1 0 270.461 2.734 10 30 CFEERO Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C[NH3+] ZINC000757137851 617789317 /nfs/dbraw/zinc/78/93/17/617789317.db2.gz OFCFFHFKARQJNQ-UHFFFAOYSA-N 1 0 297.149 2.552 10 30 CFEERO C#CCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000086694644 618092514 /nfs/dbraw/zinc/09/25/14/618092514.db2.gz JUSNTIWVGKDPTD-UHFFFAOYSA-N 1 0 256.118 2.701 10 30 CFEERO C=CCC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000161948086 618189065 /nfs/dbraw/zinc/18/90/65/618189065.db2.gz CSTRBYQOAPWEMN-LBPRGKRZSA-N 1 0 259.271 2.905 10 30 CFEERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000261593760 619173567 /nfs/dbraw/zinc/17/35/67/619173567.db2.gz ZHMMVDKCWIDCNE-HTQZYQBOSA-N 1 0 257.259 2.725 10 30 CFEERO CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1O ZINC000061891335 623240609 /nfs/dbraw/zinc/24/06/09/623240609.db2.gz RFWHZPAJNOZDLM-YPMHNXCESA-N 1 0 260.337 2.573 10 30 CFEERO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000230686709 623293229 /nfs/dbraw/zinc/29/32/29/623293229.db2.gz ADTKSPXCKDRIRA-BXKDBHETSA-N 1 0 295.180 2.937 10 30 CFEERO CCCCCCCC[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000173453387 623350233 /nfs/dbraw/zinc/35/02/33/623350233.db2.gz DYSFBDXVFHKDDV-INIZCTEOSA-N 1 0 270.461 2.735 10 30 CFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000231950229 623376742 /nfs/dbraw/zinc/37/67/42/623376742.db2.gz WMFZGMZAYFLURS-BDAKNGLRSA-N 1 0 252.305 2.911 10 30 CFEERO C[NH2+]C[C@@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000068770796 625027555 /nfs/dbraw/zinc/02/75/55/625027555.db2.gz FIWJTCWMPMVHTC-ZDUSSCGKSA-N 1 0 280.375 2.542 10 30 CFEERO C[NH+]=C(NCc1oc2ccccc2c1C)N[C@@H]1C[C@@H]1C ZINC000083205912 650762011 /nfs/dbraw/zinc/76/20/11/650762011.db2.gz FQKRZJBUPNLAGF-GXFFZTMASA-N 1 0 271.364 2.815 10 30 CFEERO CCN1CCC[C@@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245834607 650837864 /nfs/dbraw/zinc/83/78/64/650837864.db2.gz BPFVIYINGLAZJF-GDBMZVCRSA-N 1 0 287.407 2.551 10 30 CFEERO C[NH2+]CCC1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000127054636 643854467 /nfs/dbraw/zinc/85/44/67/643854467.db2.gz OUAGDTMQSBZXQK-UHFFFAOYSA-N 1 0 279.334 2.662 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000248325000 650931050 /nfs/dbraw/zinc/93/10/50/650931050.db2.gz AZDOTTZBZDXJRI-DUVNUKRYSA-N 1 0 289.398 2.674 10 30 CFEERO C[C@H](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)NC(=O)OC(C)(C)C ZINC000249045122 650953016 /nfs/dbraw/zinc/95/30/16/650953016.db2.gz VUONMDIHXHSKAW-MCIONIFRSA-N 1 0 295.427 2.962 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H](CC[NH3+])C1 ZINC000094337488 650956483 /nfs/dbraw/zinc/95/64/83/650956483.db2.gz GMGJSKJKGDJGLN-JTQLQIEISA-N 1 0 298.312 2.537 10 30 CFEERO C[C@H](C#N)OCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000304206223 651016917 /nfs/dbraw/zinc/01/69/17/651016917.db2.gz CXPQSCJNYKDSDT-RKDXNWHRSA-N 1 0 258.774 2.981 10 30 CFEERO N#Cc1ccc(NC[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000130914916 645592137 /nfs/dbraw/zinc/59/21/37/645592137.db2.gz KSSJALOLNSORGB-NSHDSACASA-N 1 0 283.297 2.989 10 30 CFEERO N#Cc1cc(F)c(NC2CCC([NH3+])CC2)c(F)c1 ZINC000133581027 646163570 /nfs/dbraw/zinc/16/35/70/646163570.db2.gz MREFIMSSDQNDPQ-UHFFFAOYSA-N 1 0 251.280 2.518 10 30 CFEERO C=C(C)C(=O)OC[C@@H](C)[N+](C)(C)Cc1ccccc1 ZINC000033611516 717121417 /nfs/dbraw/zinc/12/14/17/717121417.db2.gz ZPMREDYHRVLBMB-CQSZACIVSA-N 1 0 262.373 2.771 10 30 CFEERO N#Cc1cc2c(nc1NCC1([NH3+])CCCC1)CCCC2 ZINC000594691958 349474565 /nfs/dbraw/zinc/47/45/65/349474565.db2.gz CYLMYMJDIGPIDA-UHFFFAOYSA-N 1 0 270.380 2.515 10 30 CFEERO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1C#N)C1CCCC1 ZINC000595687406 349700052 /nfs/dbraw/zinc/70/00/52/349700052.db2.gz CKPSYTQSYVTLGM-RRFJBIMHSA-N 1 0 250.386 2.864 10 30 CFEERO N#Cc1ccc(NCC23CC(C2)C[NH2+]3)cc1C(F)(F)F ZINC000596026747 349777919 /nfs/dbraw/zinc/77/79/19/349777919.db2.gz LMANBSNJEOVIJJ-UHFFFAOYSA-N 1 0 281.281 2.741 10 30 CFEERO CNC(=[NH2+])Nc1cc(Cl)c(Cl)cc1Cl ZINC000052069344 346511301 /nfs/dbraw/zinc/51/13/01/346511301.db2.gz QYDCACQPRZCLMU-UHFFFAOYSA-N 1 0 252.532 2.812 10 30 CFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000054826206 346576877 /nfs/dbraw/zinc/57/68/77/346576877.db2.gz GOHFARVKQYHXJX-HIFRSBDPSA-N 1 0 273.336 2.809 10 30 CFEERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000070174825 136708436 /nfs/dbraw/zinc/70/84/36/136708436.db2.gz MMPJAORDQBOFSQ-CMPLNLGQSA-N 1 0 263.772 2.775 10 30 CFEERO CC[C@H]1CN(c2cc(C#N)c3ccccc3n2)CC[C@@H]1[NH3+] ZINC000122924544 347817244 /nfs/dbraw/zinc/81/72/44/347817244.db2.gz QKSODJXGFNBBEH-WFASDCNBSA-N 1 0 280.375 2.670 10 30 CFEERO CC[C@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000122963326 347817841 /nfs/dbraw/zinc/81/78/41/347817841.db2.gz BHGRSKWFDNNCFO-HZMBPMFUSA-N 1 0 263.772 2.775 10 30 CFEERO C#C[C@H]([NH2+]C)c1ccc(Br)c(Cl)c1 ZINC000130291763 347869439 /nfs/dbraw/zinc/86/94/39/347869439.db2.gz YQSBLTSNHLKTHZ-JTQLQIEISA-N 1 0 258.546 2.996 10 30 CFEERO C=C(C)[C@H]([NH3+])c1csc(I)c1 ZINC000131491486 347878940 /nfs/dbraw/zinc/87/89/40/347878940.db2.gz OSVQWDQFOTYICR-QMMMGPOBSA-N 1 0 279.146 2.929 10 30 CFEERO C=CCC[C@@H]([NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000167790193 348046070 /nfs/dbraw/zinc/04/60/70/348046070.db2.gz VIGSYHOYIAWRRA-LLVKDONJSA-N 1 0 251.326 2.678 10 30 CFEERO CC(C)[N@@H+]1CCC[C@@](C#N)(NCc2cccs2)CC1 ZINC000086849220 179358696 /nfs/dbraw/zinc/35/86/96/179358696.db2.gz WXXQMEDZWDDAGM-OAHLLOKOSA-N 1 0 277.437 2.994 10 30 CFEERO C#CC[C@H]([NH2+]C)c1sccc1I ZINC000306540420 348388703 /nfs/dbraw/zinc/38/87/03/348388703.db2.gz WGWPYDUFBWCIJO-QMMMGPOBSA-N 1 0 291.157 2.637 10 30 CFEERO CN(CC[NH2+][C@@H]1CCCC[C@@H]1C#N)Cc1ccccc1 ZINC000386725815 348535848 /nfs/dbraw/zinc/53/58/48/348535848.db2.gz TZVFFASMWNGNKY-IAGOWNOFSA-N 1 0 271.408 2.790 10 30 CFEERO N#Cc1cc(F)c(NCCC2CC[NH2+]CC2)c(F)c1 ZINC000593233888 349232412 /nfs/dbraw/zinc/23/24/12/349232412.db2.gz ZTBNNLJLWJEZEA-UHFFFAOYSA-N 1 0 265.307 2.638 10 30 CFEERO Cc1ccccc1[C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425907 349418033 /nfs/dbraw/zinc/41/80/33/349418033.db2.gz MSQRVJILIGEQRW-ZFWWWQNUSA-N 1 0 273.380 2.584 10 30 CFEERO C[NH+](C)[C@H]1CCN(c2ccc(C#N)c3ccccc32)C1 ZINC000090563337 180005967 /nfs/dbraw/zinc/00/59/67/180005967.db2.gz GAMBEJGEUKPDES-AWEZNQCLSA-N 1 0 265.360 2.852 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C[NH3+] ZINC000600960998 350638150 /nfs/dbraw/zinc/63/81/50/350638150.db2.gz KJZARBAYIAWVFT-KOLCDFICSA-N 1 0 283.297 2.608 10 30 CFEERO N#Cc1cc(F)c(N[C@H]2CCCC[C@H]2C[NH3+])c(F)c1 ZINC000133699529 187701483 /nfs/dbraw/zinc/70/14/83/187701483.db2.gz LVINBNIPILOJIU-GWCFXTLKSA-N 1 0 265.307 2.766 10 30 CFEERO Cn1nccc1C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191978552 282860778 /nfs/dbraw/zinc/86/07/78/282860778.db2.gz RURWKSUEEKBPOJ-UHFFFAOYSA-N 1 0 279.387 2.651 10 30 CFEERO C=CC(C)(C)CC[NH2+]Cc1csc(COC)n1 ZINC000623593095 353680551 /nfs/dbraw/zinc/68/05/51/353680551.db2.gz SXIWWDMBUWDWNT-UHFFFAOYSA-N 1 0 254.399 2.981 10 30 CFEERO N#Cc1cc(Cl)ccc1N1CCC[C@@H](CC[NH3+])C1 ZINC000070171363 283094147 /nfs/dbraw/zinc/09/41/47/283094147.db2.gz XKQKAFAHMZJRHN-NSHDSACASA-N 1 0 263.772 2.777 10 30 CFEERO N#Cc1ccc(N2CCC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000041030162 283156847 /nfs/dbraw/zinc/15/68/47/283156847.db2.gz VCXNLFWBBPHEFD-SNVBAGLBSA-N 1 0 269.270 2.505 10 30 CFEERO C=CCOc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261704538 540706684 /nfs/dbraw/zinc/70/66/84/540706684.db2.gz IPSSBPOXTSITCJ-IUODEOHRSA-N 1 0 274.364 2.565 10 30 CFEERO Cc1cc(NCCC[NH+]2CCCCC2)c(C#N)c(C)n1 ZINC000301754120 201178008 /nfs/dbraw/zinc/17/80/08/201178008.db2.gz CJIYIBLXPJCOCN-UHFFFAOYSA-N 1 0 272.396 2.858 10 30 CFEERO N#Cc1cc(Br)ccc1NCC[C@H]1CC[NH2+]C1 ZINC000229249339 189797866 /nfs/dbraw/zinc/79/78/66/189797866.db2.gz SCNSMACOWPFESG-SNVBAGLBSA-N 1 0 294.196 2.732 10 30 CFEERO C[N@@H+]1C[C@H](CC#N)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21 ZINC000029320408 372377709 /nfs/dbraw/zinc/37/77/09/372377709.db2.gz UBULIBNSZMFGMU-XHBSWPGZSA-N 1 0 265.360 2.827 10 30 CFEERO C[NH2+]C[C@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000040602332 372783815 /nfs/dbraw/zinc/78/38/15/372783815.db2.gz KGMJQHFNQFIUQQ-CYBMUJFWSA-N 1 0 280.375 2.542 10 30 CFEERO N#Cc1cc(NCC[C@H]2CC[NH2+]C2)nc2ccccc12 ZINC000068771228 374038827 /nfs/dbraw/zinc/03/88/27/374038827.db2.gz IIMABCVKTFRDRM-GFCCVEGCSA-N 1 0 266.348 2.518 10 30 CFEERO N#Cc1ccc(N2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000070171245 374138214 /nfs/dbraw/zinc/13/82/14/374138214.db2.gz CJKIEBTYKUWQKI-NSHDSACASA-N 1 0 263.772 2.777 10 30 CFEERO C[C@H]([NH3+])[C@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000070175013 374141530 /nfs/dbraw/zinc/14/15/30/374141530.db2.gz BSULUNYTYHRGDW-STQMWFEESA-N 1 0 280.375 2.670 10 30 CFEERO C[C@H]([NH3+])[C@@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000070174829 374142061 /nfs/dbraw/zinc/14/20/61/374142061.db2.gz XCBFEBPZHMHTBY-CMPLNLGQSA-N 1 0 263.772 2.775 10 30 CFEERO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000077204439 374559561 /nfs/dbraw/zinc/55/95/61/374559561.db2.gz CVRFSOTXTXUTSF-GDBMZVCRSA-N 1 0 275.392 2.892 10 30 CFEERO CC1(CNc2nc3c(cc2C#N)CCCC3)CC[NH2+]CC1 ZINC000129484636 377433781 /nfs/dbraw/zinc/43/37/81/377433781.db2.gz LIYTWGNHELYZMX-UHFFFAOYSA-N 1 0 284.407 2.634 10 30 CFEERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1cccc(C#N)c1 ZINC000130780415 377610107 /nfs/dbraw/zinc/61/01/07/377610107.db2.gz VPMUABLEPSMKHM-QGZVFWFLSA-N 1 0 271.408 2.768 10 30 CFEERO CC(C)(C#N)CCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152260062 378405465 /nfs/dbraw/zinc/40/54/65/378405465.db2.gz ZQWRZNMBIBPZGH-HNNXBMFYSA-N 1 0 273.380 2.865 10 30 CFEERO N#Cc1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1F ZINC000160722481 378793203 /nfs/dbraw/zinc/79/32/03/378793203.db2.gz RFYCQTKETYNBGH-WBVHZDCISA-N 1 0 288.366 2.824 10 30 CFEERO N#Cc1ccc(N[C@H]2CC[C@H](C[NH3+])C2)c(Br)c1 ZINC000335576293 379541306 /nfs/dbraw/zinc/54/13/06/379541306.db2.gz ASAFRVCSOFFIMG-ONGXEEELSA-N 1 0 294.196 2.860 10 30 CFEERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000181783536 380894131 /nfs/dbraw/zinc/89/41/31/380894131.db2.gz REDZEKIASZGZPZ-LXZKKBNFSA-N 1 0 288.391 2.791 10 30 CFEERO N#Cc1cccc(OCCC[N@@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000357623862 382256156 /nfs/dbraw/zinc/25/61/56/382256156.db2.gz UIKQNKIHIOJRQH-GDBMZVCRSA-N 1 0 256.349 2.811 10 30 CFEERO C[C@H](C[C@H](C)[NH3+])Nc1cc(C#N)c2ccccc2n1 ZINC000320693052 382538686 /nfs/dbraw/zinc/53/86/86/382538686.db2.gz QQDQEXJSBVPVTC-WDEREUQCSA-N 1 0 254.337 2.644 10 30 CFEERO C[C@H]1CC[NH2+]C[C@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000389780528 382616075 /nfs/dbraw/zinc/61/60/75/382616075.db2.gz DOCFTHIEXCTLJK-XHDPSFHLSA-N 1 0 266.348 2.516 10 30 CFEERO N#Cc1ccc(N[C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000336836455 382729307 /nfs/dbraw/zinc/72/93/07/382729307.db2.gz KUJQKAOIDRXNJF-INIZCTEOSA-N 1 0 266.348 2.845 10 30 CFEERO CC(C)(CCC#N)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245545236 383005477 /nfs/dbraw/zinc/00/54/77/383005477.db2.gz SZNJZIRONXVHPN-KGLIPLIRSA-N 1 0 250.386 2.960 10 30 CFEERO N#Cc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)s1 ZINC000245765247 383033637 /nfs/dbraw/zinc/03/36/37/383033637.db2.gz QRPYJKSECWBZKG-WFASDCNBSA-N 1 0 276.405 2.747 10 30 CFEERO C=C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245695427 383023086 /nfs/dbraw/zinc/02/30/86/383023086.db2.gz XZEFPAYWVUVMNR-WBVHZDCISA-N 1 0 284.403 2.653 10 30 CFEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000252919369 383439693 /nfs/dbraw/zinc/43/96/93/383439693.db2.gz DIJABWJQZCJTFB-WFASDCNBSA-N 1 0 289.810 2.880 10 30 CFEERO CC#CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1 ZINC000276165598 385983608 /nfs/dbraw/zinc/98/36/08/385983608.db2.gz QPNALABDBLMCBX-CZUORRHYSA-N 1 0 273.380 2.570 10 30 CFEERO C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000188480330 262299367 /nfs/dbraw/zinc/29/93/67/262299367.db2.gz DKPMJTHYXMSMPP-UKRRQHHQSA-N 1 0 252.402 2.531 10 30 CFEERO C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000094337361 184783563 /nfs/dbraw/zinc/78/35/63/184783563.db2.gz BTAYXLSJHSSQGM-GXSJLCMTSA-N 1 0 298.312 2.772 10 30 CFEERO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]3CCCC[C@H]32)cc1 ZINC000250065118 131123475 /nfs/dbraw/zinc/12/34/75/131123475.db2.gz WXLZHAUWLBQZRD-DJIMGWMZSA-N 1 0 270.376 2.856 10 30 CFEERO C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1[NH+](C)C ZINC000251715078 131130489 /nfs/dbraw/zinc/13/04/89/131130489.db2.gz JQOZMIRDYLBGFR-IINYFYTJSA-N 1 0 297.324 2.963 10 30 CFEERO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000186233491 393542191 /nfs/dbraw/zinc/54/21/91/393542191.db2.gz QDOXBLBMNBVIOS-MRXNPFEDSA-N 1 0 280.375 2.590 10 30 CFEERO C#CCOC[C@H](O)C[N@@H+](CCC)Cc1ccc(C)cc1C ZINC000036100838 393521798 /nfs/dbraw/zinc/52/17/98/393521798.db2.gz GEUTYWJHJFUSBG-GOSISDBHSA-N 1 0 289.419 2.526 10 30 CFEERO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000192868625 393635728 /nfs/dbraw/zinc/63/57/28/393635728.db2.gz SUOUFIQZZWTNKY-NSHDSACASA-N 1 0 285.372 2.909 10 30 CFEERO C=CCN(Cc1cccs1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237912030 393795051 /nfs/dbraw/zinc/79/50/51/393795051.db2.gz QRJSVAHHAYUIKY-STQMWFEESA-N 1 0 278.421 2.780 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C#N)cc1C ZINC000245928997 393838495 /nfs/dbraw/zinc/83/84/95/393838495.db2.gz IPBBFFTXKRRQFP-CVEARBPZSA-N 1 0 297.402 2.566 10 30 CFEERO CCO[C@H]1C[C@@H]([N@H+](C)CCCC#N)C12CCCC2 ZINC000121164186 393950160 /nfs/dbraw/zinc/95/01/60/393950160.db2.gz SZJGZEOXFYKKQN-KGLIPLIRSA-N 1 0 250.386 2.960 10 30 CFEERO N#CCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000121449912 393955455 /nfs/dbraw/zinc/95/54/55/393955455.db2.gz IWWFENUMBPIZSD-WFASDCNBSA-N 1 0 280.318 2.766 10 30 CFEERO CC(C)(C#N)CCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000174850775 394379918 /nfs/dbraw/zinc/37/99/18/394379918.db2.gz HGBZWMATEDHKHR-UHFFFAOYSA-N 1 0 274.412 2.925 10 30 CFEERO Cn1nccc1C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174839035 394379921 /nfs/dbraw/zinc/37/99/21/394379921.db2.gz GVCARMOYTAQNRV-UHFFFAOYSA-N 1 0 274.412 2.929 10 30 CFEERO CCc1n(C)c2ccccc2[n+]1CC(=O)c1ccccc1 ZINC000005327962 170085866 /nfs/dbraw/zinc/08/58/66/170085866.db2.gz NEXTUTDGVDTJAE-UHFFFAOYSA-N 1 0 279.363 2.911 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(C#N)cc1Cl ZINC000246501990 287231898 /nfs/dbraw/zinc/23/18/98/287231898.db2.gz SDTIUKITAICPIA-OLZOCXBDSA-N 1 0 290.798 2.670 10 30 CFEERO C[NH+](C)C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000007817357 170304145 /nfs/dbraw/zinc/30/41/45/170304145.db2.gz IDJMKXWHZWUEGA-QGZVFWFLSA-N 1 0 293.370 2.591 10 30 CFEERO CCC(CC)[N@H+](C)CC(=O)Nc1ccccc1C#N ZINC000035208053 172054158 /nfs/dbraw/zinc/05/41/58/172054158.db2.gz WUYNFJNQSCNAKY-UHFFFAOYSA-N 1 0 259.353 2.617 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COCCCC ZINC000661114663 413765728 /nfs/dbraw/zinc/76/57/28/413765728.db2.gz JLEIKTSYADCLEV-OAGGEKHMSA-N 1 0 269.429 2.889 10 30 CFEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C)n1CC ZINC000661114849 413767050 /nfs/dbraw/zinc/76/70/50/413767050.db2.gz NHCLCFLSIJWEJL-ZIAGYGMSSA-N 1 0 262.401 2.831 10 30 CFEERO C#CCN1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000037217384 173036039 /nfs/dbraw/zinc/03/60/39/173036039.db2.gz TVNDNBAREXQNNN-CYBMUJFWSA-N 1 0 260.356 2.574 10 30 CFEERO C#CCN1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000037243248 173058314 /nfs/dbraw/zinc/05/83/14/173058314.db2.gz KWDQQNOYOPIYRN-UHFFFAOYSA-N 1 0 262.784 2.527 10 30 CFEERO CC[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000037386328 173168710 /nfs/dbraw/zinc/16/87/10/173168710.db2.gz ZXBIBLBFUTVDMB-VIFPVBQESA-N 1 0 265.744 2.538 10 30 CFEERO C=C(Cl)C[NH2+]C[C@@H](c1cccc(OC)c1)N(C)C ZINC000037488957 173230585 /nfs/dbraw/zinc/23/05/85/173230585.db2.gz UTMUXZCXMUJZAL-AWEZNQCLSA-N 1 0 268.788 2.640 10 30 CFEERO C=C(Cl)COc1ccc(C[NH2+]C)cc1OCC ZINC000037703694 173625495 /nfs/dbraw/zinc/62/54/95/173625495.db2.gz PILFJIUJWIUABJ-UHFFFAOYSA-N 1 0 255.745 2.936 10 30 CFEERO N#Cc1cccc(COc2cccc(CC[NH3+])c2)c1 ZINC000037721215 173639437 /nfs/dbraw/zinc/63/94/37/173639437.db2.gz LAHTUXFDTQJNJX-UHFFFAOYSA-N 1 0 252.317 2.638 10 30 CFEERO C=CC[C@H]1CCCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000662843997 414619452 /nfs/dbraw/zinc/61/94/52/414619452.db2.gz VVLKBVDTVVAVDD-VXGQWTEUSA-N 1 0 264.413 2.755 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000662599907 414570997 /nfs/dbraw/zinc/57/09/97/414570997.db2.gz BSAXCOQGAWYKJA-KFWWJZLASA-N 1 0 264.413 2.770 10 30 CFEERO C[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000038029273 174019407 /nfs/dbraw/zinc/01/94/07/174019407.db2.gz NEOWZZASJWOOCC-GFCCVEGCSA-N 1 0 288.351 2.753 10 30 CFEERO [NH3+]CC#Cc1c(OCC2CC2)ccc2ccccc21 ZINC000038077867 174087909 /nfs/dbraw/zinc/08/79/09/174087909.db2.gz AYVWMVWRQPUITB-UHFFFAOYSA-N 1 0 251.329 2.939 10 30 CFEERO C[N@@H+]1CCC[C@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000040673487 174372227 /nfs/dbraw/zinc/37/22/27/174372227.db2.gz KGXGUHJVFGNXCG-ZDUSSCGKSA-N 1 0 266.348 2.613 10 30 CFEERO N#CCOc1cccc(C[NH2+]CCc2ccc(O)cc2)c1 ZINC000040736113 174389056 /nfs/dbraw/zinc/38/90/56/174389056.db2.gz DCXLPADWNNZZMG-UHFFFAOYSA-N 1 0 282.343 2.627 10 30 CFEERO CC[N@H+](Cc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747442 174392797 /nfs/dbraw/zinc/39/27/97/174392797.db2.gz ZKKNHGKGVWBTMZ-SJPCQFCGSA-N 1 0 269.392 2.663 10 30 CFEERO Cc1sc(NC(=O)CC2CC[NH2+]CC2)c(C#N)c1C ZINC000040857188 174424129 /nfs/dbraw/zinc/42/41/29/174424129.db2.gz HUIPHDRTIMACAP-UHFFFAOYSA-N 1 0 277.393 2.565 10 30 CFEERO CC[C@H]([NH3+])[C@H](c1cccc(C)c1)N(C)C[C@@H](C)C#N ZINC000042967493 174931835 /nfs/dbraw/zinc/93/18/35/174931835.db2.gz UDWFXLRQSYADDH-BPUTZDHNSA-N 1 0 259.397 2.865 10 30 CFEERO CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)C[C@@H](C)C#N ZINC000043045476 174956305 /nfs/dbraw/zinc/95/63/05/174956305.db2.gz DBFULNBBNQCLPB-GLQYFDAESA-N 1 0 263.360 2.696 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1ccccc1C#N)c1ccccn1 ZINC000043342568 175015981 /nfs/dbraw/zinc/01/59/81/175015981.db2.gz SVXOSHLSEVGORP-BBRMVZONSA-N 1 0 267.332 2.811 10 30 CFEERO COc1ccccc1COc1ccc(C)cc1C#CC[NH3+] ZINC000043457893 175050764 /nfs/dbraw/zinc/05/07/64/175050764.db2.gz PMTWZLIDKHXLMX-UHFFFAOYSA-N 1 0 281.355 2.893 10 30 CFEERO CCOc1cccc(C[C@H]([NH3+])CC)c1O[C@@H](C)C#N ZINC000043518790 175061837 /nfs/dbraw/zinc/06/18/37/175061837.db2.gz CNHVYHFCOUGAFI-WCQYABFASA-N 1 0 262.353 2.656 10 30 CFEERO CCOc1cc(C[C@@H]([NH3+])CC)ccc1O[C@H](C)C#N ZINC000043518676 175061852 /nfs/dbraw/zinc/06/18/52/175061852.db2.gz HTMAHVHCJIWEOF-YPMHNXCESA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@@H]([NH3+])Cc1cc(Cl)c(O[C@H](C)C#N)c(OC)c1 ZINC000043518544 175061928 /nfs/dbraw/zinc/06/19/28/175061928.db2.gz ZIXWJDVBIAPNKF-MWLCHTKSSA-N 1 0 282.771 2.919 10 30 CFEERO CCOc1cccc(C[C@@H]([NH3+])CC)c1O[C@H](C)C#N ZINC000043518793 175061944 /nfs/dbraw/zinc/06/19/44/175061944.db2.gz CNHVYHFCOUGAFI-YPMHNXCESA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@H]([NH3+])Cc1ccc(O[C@@H](C)C#N)c(Cl)c1 ZINC000043518921 175062096 /nfs/dbraw/zinc/06/20/96/175062096.db2.gz PZGKTNFDDBXKAK-ONGXEEELSA-N 1 0 252.745 2.911 10 30 CFEERO CCC[NH2+]Cc1cccc(OC)c1O[C@H](C#N)CC ZINC000043538886 175063720 /nfs/dbraw/zinc/06/37/20/175063720.db2.gz JYOGRZWLDDLVRG-ZDUSSCGKSA-N 1 0 262.353 2.876 10 30 CFEERO CC[C@H](C#N)Oc1ccc(Cl)cc1C[C@@H](C)[NH3+] ZINC000043543577 175064455 /nfs/dbraw/zinc/06/44/55/175064455.db2.gz QHXRWQNBBUDJAF-BXKDBHETSA-N 1 0 252.745 2.911 10 30 CFEERO CCCC[N@H+](C)Cc1sccc1C#CCCO ZINC000043679061 175089550 /nfs/dbraw/zinc/08/95/50/175089550.db2.gz QIDQQLKWAIJXMT-UHFFFAOYSA-N 1 0 251.395 2.714 10 30 CFEERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C#CCCO)s2)C1 ZINC000043679191 175089555 /nfs/dbraw/zinc/08/95/55/175089555.db2.gz SRHQIZPJADQTMZ-ZIAGYGMSSA-N 1 0 277.433 2.960 10 30 CFEERO CCC[NH+](CCC)Cc1ccc(C#CCO)s1 ZINC000043678970 175089982 /nfs/dbraw/zinc/08/99/82/175089982.db2.gz PLHGJPOROUBWQX-UHFFFAOYSA-N 1 0 251.395 2.714 10 30 CFEERO CC[C@H](C)[N@H+](CC)Cc1ccc(C#CCO)s1 ZINC000043679454 175090095 /nfs/dbraw/zinc/09/00/95/175090095.db2.gz HAMCUGLLSJAXPF-LBPRGKRZSA-N 1 0 251.395 2.712 10 30 CFEERO CCCCC[N@H+](C)Cc1sccc1C#CCO ZINC000043679583 175090240 /nfs/dbraw/zinc/09/02/40/175090240.db2.gz ZQDIHCGOEGDWJV-UHFFFAOYSA-N 1 0 251.395 2.714 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2ccccc2F)s1 ZINC000043684755 175092817 /nfs/dbraw/zinc/09/28/17/175092817.db2.gz YYJKHSTZRDIANE-UHFFFAOYSA-N 1 0 261.321 2.776 10 30 CFEERO CC(C)N(Cc1sccc1C#CC[NH3+])CC(F)(F)F ZINC000043684270 175093164 /nfs/dbraw/zinc/09/31/64/175093164.db2.gz CWOHVBPJQNIBDC-UHFFFAOYSA-N 1 0 290.354 2.831 10 30 CFEERO CC(C)C[C@H](C)[N@H+](C)Cc1cc(C#CCO)cs1 ZINC000043698721 175097015 /nfs/dbraw/zinc/09/70/15/175097015.db2.gz NRKMLKYWTSZAJF-ZDUSSCGKSA-N 1 0 265.422 2.958 10 30 CFEERO C[N@H+](Cc1cccc(C#CCCO)c1)CC(C)(C)C ZINC000045086837 175304548 /nfs/dbraw/zinc/30/45/48/175304548.db2.gz CSAAHWHHQAOZTK-UHFFFAOYSA-N 1 0 259.393 2.898 10 30 CFEERO [NH3+]CC#Cc1ccsc1COc1cc(F)ccc1F ZINC000071168181 176049356 /nfs/dbraw/zinc/04/93/56/176049356.db2.gz RSHBIUSCHZCFJS-UHFFFAOYSA-N 1 0 279.311 2.916 10 30 CFEERO CCCN(c1cccc(Cl)c1C#N)[C@H]1CC[NH2+]C1 ZINC000071332574 176125623 /nfs/dbraw/zinc/12/56/23/176125623.db2.gz KGPIMDZMXDWDPJ-NSHDSACASA-N 1 0 263.772 2.790 10 30 CFEERO C=CCN(CC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000076667947 177051984 /nfs/dbraw/zinc/05/19/84/177051984.db2.gz LVKVJZSLBCTGCB-UHFFFAOYSA-N 1 0 259.180 2.940 10 30 CFEERO CCC[NH+](CCC)CCc1cccc2c1CC(=O)N2O ZINC000077300966 177250410 /nfs/dbraw/zinc/25/04/10/177250410.db2.gz ZZJILQRDDQRQLG-UHFFFAOYSA-N 1 0 276.380 2.629 10 30 in-vitro CFEERO C=CCN(CC=C)C(=O)CC[C@H](CCC)CC[NH3+] ZINC000079235651 177452827 /nfs/dbraw/zinc/45/28/27/177452827.db2.gz DIBYVGYTEOBSFH-AWEZNQCLSA-N 1 0 252.402 2.732 10 30 CFEERO N#Cc1cnc2ccccc2c1NCC[C@H]1CC[NH2+]C1 ZINC000110798079 261468414 /nfs/dbraw/zinc/46/84/14/261468414.db2.gz ONFPERIFFWVSFE-GFCCVEGCSA-N 1 0 266.348 2.518 10 30 CFEERO C[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)C[C@H]1C[NH3+] ZINC000253191577 274304476 /nfs/dbraw/zinc/30/44/76/274304476.db2.gz MHUJJTMYWSBVGV-TZMCWYRMSA-N 1 0 280.375 2.528 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)[C@H](C)C[NH2+]1 ZINC000086471116 274363014 /nfs/dbraw/zinc/36/30/14/274363014.db2.gz LWJWNBKDQOYYET-NXEZZACHSA-N 1 0 283.297 2.764 10 30 CFEERO CC(C)[NH2+][C@@H]1CCOC[C@H]1Cc1ccc(C#N)cc1 ZINC000095088427 275657197 /nfs/dbraw/zinc/65/71/97/275657197.db2.gz INVMRSXXEQUPHT-HZPDHXFCSA-N 1 0 258.365 2.504 10 30 CFEERO CC1(C)CN(c2c(Cl)cccc2C#N)CC[C@@H]1[NH3+] ZINC000334994721 278341528 /nfs/dbraw/zinc/34/15/28/278341528.db2.gz GMGQODVLFFGNHQ-LBPRGKRZSA-N 1 0 263.772 2.775 10 30 CFEERO C[C@@H]1CCN(c2c(C#N)cnc3ccccc32)C[C@H]1C[NH3+] ZINC000253201032 278556665 /nfs/dbraw/zinc/55/66/65/278556665.db2.gz XQZXNUSPTQTXOV-TZMCWYRMSA-N 1 0 280.375 2.528 10 30 CFEERO N#Cc1ccc(N2CCCC[C@H]2C[NH3+])cc1C(F)(F)F ZINC000044559337 303192825 /nfs/dbraw/zinc/19/28/25/303192825.db2.gz FWPZNOXJDPPGRU-LBPRGKRZSA-N 1 0 283.297 2.895 10 30 CFEERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000389780521 324520436 /nfs/dbraw/zinc/52/04/36/324520436.db2.gz DOCFTHIEXCTLJK-ABAIWWIYSA-N 1 0 266.348 2.516 10 30 CFEERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000389735472 324520624 /nfs/dbraw/zinc/52/06/24/324520624.db2.gz UJNMJSVTKUWODY-TVQRCGJNSA-N 1 0 283.297 2.987 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCC(C)(C)C#N ZINC000093097817 327104491 /nfs/dbraw/zinc/10/44/91/327104491.db2.gz QJDFWZZPVHCEHI-LSDHHAIUSA-N 1 0 263.429 2.875 10 30 CFEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC#Cc1ccc(Cl)cc1 ZINC000177171798 329180749 /nfs/dbraw/zinc/18/07/49/329180749.db2.gz OTXMMJKTZVVUQQ-WMLDXEAASA-N 1 0 288.822 2.860 10 30 CFEERO CN(C(=[NH2+])NCc1cc(Cl)sc1Cl)C1CC1 ZINC000262263822 330003226 /nfs/dbraw/zinc/00/32/26/330003226.db2.gz RPWIIEMIVSQSTK-UHFFFAOYSA-N 1 0 278.208 2.964 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H](Cc2ccccc2)C1 ZINC000262431363 330010290 /nfs/dbraw/zinc/01/02/90/330010290.db2.gz FCKHAFQQESGTEE-CWRNSKLLSA-N 1 0 271.408 2.535 10 30 CFEERO CNC(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)=[NH+]C ZINC000262380611 330011650 /nfs/dbraw/zinc/01/16/50/330011650.db2.gz LIEYRGYTEZWPML-UHFFFAOYSA-N 1 0 299.205 2.812 10 30 CFEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@H](c2ccccc2)C1 ZINC000262451094 330014053 /nfs/dbraw/zinc/01/40/53/330014053.db2.gz JXABBWKTZGAHEM-LSDHHAIUSA-N 1 0 271.408 2.850 10 30 CFEERO C[NH+]=C(NC[C@@H]1CC1(C)C)N[C@H](C)c1ccc(C)o1 ZINC000262469557 330015404 /nfs/dbraw/zinc/01/54/04/330015404.db2.gz YUBFUWRAUQAPNX-NEPJUHHUSA-N 1 0 263.385 2.860 10 30 CFEERO COC1CCC(C)(CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000262496771 330017897 /nfs/dbraw/zinc/01/78/97/330017897.db2.gz WTVIMJUNXJDPDV-UHFFFAOYSA-N 1 0 281.444 2.819 10 30 CFEERO Cc1sc(CNC(=[NH2+])NCC(C)C)nc1C(C)C ZINC000262503168 330018349 /nfs/dbraw/zinc/01/83/49/330018349.db2.gz AMLQBVYBZCTQOM-UHFFFAOYSA-N 1 0 268.430 2.635 10 30 CFEERO CC(C)CNC(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262534222 330020012 /nfs/dbraw/zinc/02/00/12/330020012.db2.gz OWZPJDKCXBMPTC-SKDRFNHKSA-N 1 0 283.778 2.895 10 30 CFEERO COc1ccccc1[C@]1(C)C[C@@H]1NC(=[NH2+])NC1CCCC1 ZINC000262681225 330026471 /nfs/dbraw/zinc/02/64/71/330026471.db2.gz SSBCFUCKQGBNIG-RDJZCZTQSA-N 1 0 287.407 2.572 10 30 CFEERO CC[NH+]=C(NCCc1ccc(Cl)s1)N[C@@H]1C[C@@H]1C ZINC000262862688 330035697 /nfs/dbraw/zinc/03/56/97/330035697.db2.gz ZPOOSNZBLBEZPY-GXSJLCMTSA-N 1 0 285.844 2.908 10 30 CFEERO [NH2+]=C(NC[C@@H]1CC12CC2)Nc1ccc2c(c1)CCC2 ZINC000263057286 330041182 /nfs/dbraw/zinc/04/11/82/330041182.db2.gz FBXQPFQPKUHOPR-ZDUSSCGKSA-N 1 0 255.365 2.702 10 30 CFEERO CC[C@@H](C)NC(NCc1nccc2ccccc21)=[NH+]C ZINC000263248109 330050630 /nfs/dbraw/zinc/05/06/30/330050630.db2.gz NQWYYCUCENXIOI-GFCCVEGCSA-N 1 0 270.380 2.698 10 30 CFEERO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCCC(C)(C)C#N ZINC000081568455 330212932 /nfs/dbraw/zinc/21/29/32/330212932.db2.gz DVYFKIYQWJRGSS-LBPRGKRZSA-N 1 0 268.401 2.978 10 30 CFEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1Cl ZINC000424075762 330220733 /nfs/dbraw/zinc/22/07/33/330220733.db2.gz KJDFTNRAQSXMQK-GWCFXTLKSA-N 1 0 279.771 2.538 10 30 CFEERO C#CCOc1c(C[NH2+][C@@H](C)CC)cccc1OCC ZINC000045945805 518315928 /nfs/dbraw/zinc/31/59/28/518315928.db2.gz GALLORYZYIYUNB-ZDUSSCGKSA-N 1 0 261.365 2.985 10 30 CFEERO C#CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CC ZINC000051074768 518338766 /nfs/dbraw/zinc/33/87/66/518338766.db2.gz SBSFUCFKCKTKKD-ZDUSSCGKSA-N 1 0 266.182 2.993 10 30 CFEERO C=CCOc1ccccc1C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049198119 519072692 /nfs/dbraw/zinc/07/26/92/519072692.db2.gz PRYHMTBKWIRWNE-INIZCTEOSA-N 1 0 276.424 2.927 10 30 CFEERO CC#CC[C@H](Cc1cccc(Br)c1)[NH2+]C ZINC000051665501 519347215 /nfs/dbraw/zinc/34/72/15/519347215.db2.gz KSQRZAUFXSIQDB-CYBMUJFWSA-N 1 0 266.182 2.993 10 30 CFEERO CC(C)CC[N@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049614905 519650665 /nfs/dbraw/zinc/65/06/65/519650665.db2.gz UBDREIALOOHNEN-UHFFFAOYSA-N 1 0 263.356 2.647 10 30 CFEERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(C#N)cc1N ZINC000049555035 519775919 /nfs/dbraw/zinc/77/59/19/519775919.db2.gz WJKOBJCPYOYYCU-ZDUSSCGKSA-N 1 0 260.385 2.529 10 30 CFEERO CCC[NH+]1CCC(Nc2cc(C)nc(C)c2C#N)CC1 ZINC000156561562 519847429 /nfs/dbraw/zinc/84/74/29/519847429.db2.gz PXDDSKZVLPPATJ-UHFFFAOYSA-N 1 0 272.396 2.856 10 30 CFEERO CCC[NH+]1CCN([C@@H](CC#N)c2ccccc2)CC1 ZINC000055020000 519859429 /nfs/dbraw/zinc/85/94/29/519859429.db2.gz OTJRCBHBRUARFO-INIZCTEOSA-N 1 0 257.381 2.669 10 30 CFEERO CCCCC[C@@H](C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049105938 520287713 /nfs/dbraw/zinc/28/77/13/520287713.db2.gz CYRRNIRGSQXBSV-CQSZACIVSA-N 1 0 272.392 2.695 10 30 CFEERO CCC[C@@H](C)[N@H+](C)CCOc1ccc(C#CCCO)cc1 ZINC000049613179 520644739 /nfs/dbraw/zinc/64/47/39/520644739.db2.gz OXIDOQOQJJYWPP-MRXNPFEDSA-N 1 0 289.419 2.920 10 30 CFEERO CCCC[C@@H](C[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000160670562 521049613 /nfs/dbraw/zinc/04/96/13/521049613.db2.gz CTVDAZCDUGYLRW-JTQLQIEISA-N 1 0 286.301 2.901 10 30 CFEERO CC[N@H+](CCOc1cccc(C#CCO)c1)C1CCCC1 ZINC000049618363 521149132 /nfs/dbraw/zinc/14/91/32/521149132.db2.gz BCRMDTWWHIPTPP-UHFFFAOYSA-N 1 0 287.403 2.674 10 30 CFEERO CCOC(=O)[C@@]1(C#N)CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000049587227 521176725 /nfs/dbraw/zinc/17/67/25/521176725.db2.gz SIEAIBCTUHYJQF-YOEHRIQHSA-N 1 0 286.375 2.744 10 30 CFEERO CC[N@H+](Cc1ccc(F)c(C#CCCO)c1)C(C)C ZINC000049617458 521313925 /nfs/dbraw/zinc/31/39/25/521313925.db2.gz INADDZCEHQNKRB-UHFFFAOYSA-N 1 0 263.356 2.790 10 30 CFEERO CC[N@@H+](Cc1ccc(OC)c(C#CCO)c1)CC(C)C ZINC000049617257 521322647 /nfs/dbraw/zinc/32/26/47/521322647.db2.gz OUEFNSFZQKZCJV-UHFFFAOYSA-N 1 0 275.392 2.517 10 30 CFEERO CCN(Cc1ccco1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609861 521398127 /nfs/dbraw/zinc/39/81/27/521398127.db2.gz LYDCAPBLMVWSHS-UHFFFAOYSA-N 1 0 286.350 2.751 10 30 CFEERO CC[N@H+](Cc1ccco1)Cc1ccccc1C#CCO ZINC000049614746 521398375 /nfs/dbraw/zinc/39/83/75/521398375.db2.gz XGAPDYLNVIGKOX-UHFFFAOYSA-N 1 0 269.344 2.646 10 30 CFEERO CCC(CC)C(=O)N[C@@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586771 521498166 /nfs/dbraw/zinc/49/81/66/521498166.db2.gz SDZTWNSVFACGOP-ZDUSSCGKSA-N 1 0 272.392 2.610 10 30 CFEERO CCC[N@H+](CC)Cc1ccc(F)cc1C#CCCO ZINC000049617341 521614255 /nfs/dbraw/zinc/61/42/55/521614255.db2.gz RTHIFTRTJBYOCG-UHFFFAOYSA-N 1 0 263.356 2.792 10 30 CFEERO CCC[N@H+](Cc1ccc(OC)c(C#CCCO)c1)C1CC1 ZINC000049617680 521684274 /nfs/dbraw/zinc/68/42/74/521684274.db2.gz XTCIIKQNMQTZPT-UHFFFAOYSA-N 1 0 287.403 2.804 10 30 CFEERO C[NH2+]C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000164084363 522056063 /nfs/dbraw/zinc/05/60/63/522056063.db2.gz DRDUYZSEOUMNMD-JTQLQIEISA-N 1 0 283.297 2.623 10 30 CFEERO CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000049124790 523058739 /nfs/dbraw/zinc/05/87/39/523058739.db2.gz NUNVPXHSMMLIFF-GXTWGEPZSA-N 1 0 290.432 2.757 10 30 CFEERO CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000049124781 523196466 /nfs/dbraw/zinc/19/64/66/523196466.db2.gz NUNVPXHSMMLIFF-OCCSQVGLSA-N 1 0 290.432 2.757 10 30 CFEERO C[N@H+](Cc1ccc(C#CCO)cc1)C1CCCCC1 ZINC000049616487 523207124 /nfs/dbraw/zinc/20/71/24/523207124.db2.gz FGUZCJNNOGDEBX-UHFFFAOYSA-N 1 0 257.377 2.795 10 30 CFEERO C[N@H+](Cc1ccc(F)cc1C#CCO)C1CCCCC1 ZINC000049616496 523252414 /nfs/dbraw/zinc/25/24/14/523252414.db2.gz AOUIBRMKPIDXGX-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1F ZINC000245412657 523318153 /nfs/dbraw/zinc/31/81/53/523318153.db2.gz AUMQTNDKOFDWDZ-HOTGVXAUSA-N 1 0 287.382 2.756 10 30 CFEERO C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#CCO ZINC000049616323 523347618 /nfs/dbraw/zinc/34/76/18/523347618.db2.gz TYGWZXGOMKVHRH-UHFFFAOYSA-N 1 0 283.346 2.802 10 30 CFEERO CN(Cc1ccccc1C#CC[NH3+])C(=O)C1CCCCC1 ZINC000049586833 523358158 /nfs/dbraw/zinc/35/81/58/523358158.db2.gz WSQLXRWKJNBVJC-UHFFFAOYSA-N 1 0 284.403 2.536 10 30 CFEERO C[N@H+](Cc1ccccc1C#CCO)C1CCCCC1 ZINC000049616486 523360687 /nfs/dbraw/zinc/36/06/87/523360687.db2.gz TWYDVRMKGPMJGP-UHFFFAOYSA-N 1 0 257.377 2.795 10 30 CFEERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000195520259 523602027 /nfs/dbraw/zinc/60/20/27/523602027.db2.gz KIZYASJPKWNVGL-MRXNPFEDSA-N 1 0 295.390 2.549 10 30 CFEERO C[N@@H+]1CCCC[C@H]1CN[C@@H](CC#N)c1ccccc1 ZINC000055018588 523799529 /nfs/dbraw/zinc/79/95/29/523799529.db2.gz HEMMHBUEYLBVIX-HOTGVXAUSA-N 1 0 257.381 2.715 10 30 CFEERO CC[C@H](C)C[N@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049617905 523869507 /nfs/dbraw/zinc/86/95/07/523869507.db2.gz MIYXIFSJBJHPQM-ZDUSSCGKSA-N 1 0 263.356 2.647 10 30 CFEERO CC[C@H](C)[NH+]1CCN([C@@H]2CCCCC[C@@H]2C#N)CC1 ZINC000055066470 523957957 /nfs/dbraw/zinc/95/79/57/523957957.db2.gz YVKWSSDXMYMZJT-ARFHVFGLSA-N 1 0 263.429 2.875 10 30 CFEERO COc1ccc(C[N@H+](C)C2CCCCC2)cc1C#CCO ZINC000049616491 524002712 /nfs/dbraw/zinc/00/27/12/524002712.db2.gz RBZLOJFZXKHRET-UHFFFAOYSA-N 1 0 287.403 2.804 10 30 CFEERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#CCO)cc1F ZINC000049615733 524115873 /nfs/dbraw/zinc/11/58/73/524115873.db2.gz BIROCPJODKMDMV-CYBMUJFWSA-N 1 0 261.340 2.544 10 30 CFEERO C[C@H](CN1CCCC1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000049151380 524318163 /nfs/dbraw/zinc/31/81/63/524318163.db2.gz GNJTUJIOCZMSMK-ZIAGYGMSSA-N 1 0 257.381 2.693 10 30 CFEERO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(F)c(C#CCCO)c1 ZINC000049618533 524321368 /nfs/dbraw/zinc/32/13/68/524321368.db2.gz FMNRVQUNTQUADJ-ZDUSSCGKSA-N 1 0 275.367 2.790 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1F ZINC000083704497 524682511 /nfs/dbraw/zinc/68/25/11/524682511.db2.gz SODRMZKPCMAXTP-XJKSGUPXSA-N 1 0 287.382 2.756 10 30 CFEERO C[C@@H](NC(=O)CC[C@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000050944189 525091489 /nfs/dbraw/zinc/09/14/89/525091489.db2.gz XYGPIMLHWJOSSF-CZUORRHYSA-N 1 0 285.391 2.658 10 30 CFEERO COc1cccc(COCc2ccc(C#CC[NH3+])cc2)c1 ZINC000049610307 526054322 /nfs/dbraw/zinc/05/43/22/526054322.db2.gz XLNXBRDWAFTZAW-UHFFFAOYSA-N 1 0 281.355 2.722 10 30 CFEERO C[C@H](C1CC1)[N@H+](C)Cc1ccc(C#CCCO)cc1 ZINC000049618478 526204864 /nfs/dbraw/zinc/20/48/64/526204864.db2.gz LSSCMZDPSCIMFO-CQSZACIVSA-N 1 0 257.377 2.651 10 30 CFEERO C[C@H](C1CC1)[N@H+](C)Cc1ccc(F)c(C#CCCO)c1 ZINC000049618536 526205170 /nfs/dbraw/zinc/20/51/70/526205170.db2.gz FMNRVQUNTQUADJ-CYBMUJFWSA-N 1 0 275.367 2.790 10 30 CFEERO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cccnc2s1 ZINC000329155680 526406254 /nfs/dbraw/zinc/40/62/54/526406254.db2.gz BTHIPFKJPQVMRZ-ZJUUUORDSA-N 1 0 290.392 2.536 10 30 CFEERO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cccnc2s1 ZINC000329155679 526406420 /nfs/dbraw/zinc/40/64/20/526406420.db2.gz BTHIPFKJPQVMRZ-NXEZZACHSA-N 1 0 290.392 2.536 10 30 CFEERO N#Cc1cc(N[C@@H]2CCC[NH2+]C2)ccc1C(F)(F)F ZINC000164086065 526573739 /nfs/dbraw/zinc/57/37/39/526573739.db2.gz HNSJDOGAVWGNSN-LLVKDONJSA-N 1 0 269.270 2.741 10 30 CFEERO Cc1occc1CN(C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609919 526823964 /nfs/dbraw/zinc/82/39/64/526823964.db2.gz CFQKZXMXDMTRGU-UHFFFAOYSA-N 1 0 286.350 2.669 10 30 CFEERO Cc1nc(N[C@@H](C)CCCC[NH3+])c(Cl)cc1C#N ZINC000311000008 526999755 /nfs/dbraw/zinc/99/97/55/526999755.db2.gz MZEGCAGENRCTRC-VIFPVBQESA-N 1 0 266.776 2.845 10 30 CFEERO Cc1nc(N[C@H](C)CCCC[NH3+])c(Cl)cc1C#N ZINC000311000006 527001496 /nfs/dbraw/zinc/00/14/96/527001496.db2.gz MZEGCAGENRCTRC-SECBINFHSA-N 1 0 266.776 2.845 10 30 CFEERO [NH3+]CC#Cc1cc(COC2CCCCC2)ccc1F ZINC000049610328 527146723 /nfs/dbraw/zinc/14/67/23/527146723.db2.gz BHPOXZAQYPCYGA-UHFFFAOYSA-N 1 0 261.340 2.985 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1COc1cccc(F)c1 ZINC000049610567 527148084 /nfs/dbraw/zinc/14/80/84/527148084.db2.gz BCBHKBWHHUHLAI-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1CSc1nccs1 ZINC000049612870 527149065 /nfs/dbraw/zinc/14/90/65/527149065.db2.gz OOTKYLHUUXSAOK-UHFFFAOYSA-N 1 0 278.377 2.885 10 30 CFEERO [NH3+]CC#Cc1cccc(OCCOc2ccc(F)cc2)c1 ZINC000049610518 527153627 /nfs/dbraw/zinc/15/36/27/527153627.db2.gz PUIMXXPAAAYDEH-UHFFFAOYSA-N 1 0 285.318 2.594 10 30 CFEERO [NH3+]CC#Cc1ccsc1CN1Cc2ccccc2C1 ZINC000050911912 527154766 /nfs/dbraw/zinc/15/47/66/527154766.db2.gz NQEKFJXIDQSBJN-UHFFFAOYSA-N 1 0 268.385 2.574 10 30 CFEERO OCCC#Cc1cc(F)ccc1C[NH+]1CCCCC1 ZINC000049616759 527529682 /nfs/dbraw/zinc/52/96/82/527529682.db2.gz BUHMXULYVYAOMD-UHFFFAOYSA-N 1 0 261.340 2.546 10 30 CFEERO OCCC#Cc1cc(F)ccc1C[NH+]1CCCCCC1 ZINC000049616153 527530075 /nfs/dbraw/zinc/53/00/75/527530075.db2.gz BECBOOADAYVSOK-UHFFFAOYSA-N 1 0 275.367 2.936 10 30 CFEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000042335616 620659776 /nfs/dbraw/zinc/65/97/76/620659776.db2.gz OYISAYSYPAEDKQ-ZIAGYGMSSA-N 1 0 272.392 2.599 10 30 CFEERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000309862771 618249793 /nfs/dbraw/zinc/24/97/93/618249793.db2.gz OBDQMBHJZPTKBQ-NWDGAFQWSA-N 1 0 281.400 2.572 10 30 CFEERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc(C(F)(F)F)cc1C#N ZINC000261624351 619180368 /nfs/dbraw/zinc/18/03/68/619180368.db2.gz VDGYQCBYMDBHFM-KCJUWKMLSA-N 1 0 269.270 2.503 10 30 CFEERO C[C@@H](Nc1nc2ccccc2cc1C#N)[C@H]1CCC[NH2+]C1 ZINC000071386064 625511000 /nfs/dbraw/zinc/51/10/00/625511000.db2.gz RLIGSVOTPSEZTI-OCCSQVGLSA-N 1 0 280.375 2.906 10 30 CFEERO C[C@H]1[NH2+]CCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000229602941 623214434 /nfs/dbraw/zinc/21/44/34/623214434.db2.gz MIYCBLWKGWRXPM-PSASIEDQSA-N 1 0 284.285 2.524 10 30 CFEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1nc2ccccc2cc1C#N ZINC000229611960 623215258 /nfs/dbraw/zinc/21/52/58/623215258.db2.gz FTKKBKRCGDEHCS-FZMZJTMJSA-N 1 0 266.348 2.659 10 30 CFEERO C#CCCC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000229833784 623228138 /nfs/dbraw/zinc/22/81/38/623228138.db2.gz NWENEUYWWVBMEL-ZDUSSCGKSA-N 1 0 271.282 2.742 10 30 CFEERO CCCCCCCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174299016 623408560 /nfs/dbraw/zinc/40/85/60/623408560.db2.gz VJFUIXJZYCPJLG-HZPDHXFCSA-N 1 0 298.471 2.651 10 30 CFEERO CCCCCCCCCN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000152839763 623783714 /nfs/dbraw/zinc/78/37/14/623783714.db2.gz HPHNVJJVHNOPSG-CQSZACIVSA-N 1 0 254.418 2.805 10 30 CFEERO C[C@H]([NH3+])C[C@H](C)Nc1nc2ccccc2cc1C#N ZINC000320715920 626129580 /nfs/dbraw/zinc/12/95/80/626129580.db2.gz VCUZVEWVSONXHI-QWRGUYRKSA-N 1 0 254.337 2.644 10 30 CFEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111268084 634984335 /nfs/dbraw/zinc/98/43/35/634984335.db2.gz HMYSSXIIHLDYAY-ZYHUDNBSSA-N 1 0 298.839 2.772 10 30 CFEERO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000188419594 650328310 /nfs/dbraw/zinc/32/83/10/650328310.db2.gz PCVVTBXYVKVNRV-KRWDZBQOSA-N 1 0 295.386 2.560 10 30 CFEERO CCCCCCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000246828143 650884450 /nfs/dbraw/zinc/88/44/50/650884450.db2.gz LPYKFZQZFPBAHS-HOTGVXAUSA-N 1 0 298.471 2.651 10 30 CFEERO C#CCCOc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000093437517 650939498 /nfs/dbraw/zinc/93/94/98/650939498.db2.gz GMBAUDFFNSGDEZ-SJLPKXTDSA-N 1 0 298.430 2.757 10 30 CFEERO C#CCOc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000093585731 650943757 /nfs/dbraw/zinc/94/37/57/650943757.db2.gz YASQPCUVFCULFR-MJGOQNOKSA-N 1 0 299.414 2.826 10 30 CFEERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000250593851 650976070 /nfs/dbraw/zinc/97/60/70/650976070.db2.gz OJZGGIVDMSTAMZ-IHRRRGAJSA-N 1 0 293.411 2.668 10 30 CFEERO CC[C@@H]1CN(c2nc3ccccc3cc2C#N)CC[C@H]1[NH3+] ZINC000251707478 650992636 /nfs/dbraw/zinc/99/26/36/650992636.db2.gz JIHXXRPHCXTISK-IUODEOHRSA-N 1 0 280.375 2.670 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]1C[NH3+] ZINC000132001474 645862898 /nfs/dbraw/zinc/86/28/98/645862898.db2.gz MTBRNFXAACNWIR-LLVKDONJSA-N 1 0 269.270 2.505 10 30 CFEERO CCCCCCCCCCNC(=O)C1([NH3+])CCOCC1 ZINC000132281817 645903840 /nfs/dbraw/zinc/90/38/40/645903840.db2.gz AQSMDQOMFDSCRN-UHFFFAOYSA-N 1 0 284.444 2.751 10 30 CFEERO CCCCCNC(=O)[C@H](C)[N+](C)(C)C1CCCC1 ZINC000029415653 717119524 /nfs/dbraw/zinc/11/95/24/717119524.db2.gz JGTGCTQCYPPXQV-ZDUSSCGKSA-O 1 0 255.426 2.700 10 30 CFEERO C[C@H]1CCCC[C@H]1NC(=O)C[N+](C)(C)C1CCCC1 ZINC000029413759 717118312 /nfs/dbraw/zinc/11/83/12/717118312.db2.gz QYZYBZCZQLVNKN-DZGCQCFKSA-O 1 0 267.437 2.700 10 30 CFEERO N#Cc1cc(F)c(NCC2([NH3+])CCCC2)c(F)c1 ZINC000594691995 349474656 /nfs/dbraw/zinc/47/46/56/349474656.db2.gz HUVXQEXPDQGUMC-UHFFFAOYSA-N 1 0 251.280 2.520 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1NCC1([NH3+])CCCC1 ZINC000594691923 349475048 /nfs/dbraw/zinc/47/50/48/349475048.db2.gz AADPWBVAPDDLOL-UHFFFAOYSA-N 1 0 284.285 2.655 10 30 CFEERO N#Cc1ccc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000594696653 349475549 /nfs/dbraw/zinc/47/55/49/349475549.db2.gz JIJUGNACIIALGK-MRXNPFEDSA-N 1 0 269.392 2.774 10 30 CFEERO N#Cc1cc(NCC2CC[NH2+]CC2)nc2ccccc12 ZINC000068770866 346868255 /nfs/dbraw/zinc/86/82/55/346868255.db2.gz UXKMSACTSHUHQI-UHFFFAOYSA-N 1 0 266.348 2.518 10 30 CFEERO C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037321033 346329241 /nfs/dbraw/zinc/32/92/41/346329241.db2.gz YTUDDRAUYOYUEF-GJZGRUSLSA-N 1 0 261.365 2.645 10 30 CFEERO C[C@@H]1C/C(=N\OC[C@@H](O)C[NH2+]C(C)(C)C)CC(C)(C)C1 ZINC000038811119 346340032 /nfs/dbraw/zinc/34/00/32/346340032.db2.gz YQZGYLVYTGIJAX-NWKYHPAXSA-N 1 0 284.444 2.954 10 30 CFEERO N#Cc1ccc(NCC2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000094009828 347690028 /nfs/dbraw/zinc/69/00/28/347690028.db2.gz CWLZBZHDAMZFQA-UHFFFAOYSA-N 1 0 283.297 2.989 10 30 CFEERO CC(C)[N+](=O)C[C@H](O)COc1cccc2ccccc21 ZINC000111440096 347754320 /nfs/dbraw/zinc/75/43/20/347754320.db2.gz HZIWJRLPDPBUQJ-FBJMNJBLSA-N 1 0 273.332 2.569 10 30 CFEERO CC[C@H]1CN(c2c(C#N)cnc3ccccc32)CC[C@@H]1[NH3+] ZINC000123050534 347818009 /nfs/dbraw/zinc/81/80/09/347818009.db2.gz YAJATSADHCUPAG-WFASDCNBSA-N 1 0 280.375 2.670 10 30 CFEERO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000188543108 348132760 /nfs/dbraw/zinc/13/27/60/348132760.db2.gz GNOTWUMYXQGCPX-ZBFHGGJFSA-N 1 0 266.429 2.825 10 30 CFEERO C[C@]1(/[N+](O)=C/c2ccc(F)cc2)CCCCC1=O ZINC000225398608 348177370 /nfs/dbraw/zinc/17/73/70/348177370.db2.gz KLQVEFZESSHFFJ-FBKCMUNRSA-N 1 0 250.293 2.548 10 30 CFEERO C=C[C@@H]([NH3+])c1cccc(C)c1I ZINC000229299451 348200220 /nfs/dbraw/zinc/20/02/20/348200220.db2.gz IYJIKVYIGJACIS-SECBINFHSA-N 1 0 273.117 2.785 10 30 CFEERO C=C[C@H]([NH3+])c1sccc1I ZINC000238606205 348247897 /nfs/dbraw/zinc/24/78/97/348247897.db2.gz GEDNUCOXSDTZSH-LURJTMIESA-N 1 0 265.119 2.539 10 30 CFEERO CC[C@H]1CN(c2cc(Cl)ccc2C#N)CC[C@H]1[NH3+] ZINC000251832506 348293518 /nfs/dbraw/zinc/29/35/18/348293518.db2.gz QBKSSFRHTWYAPO-GXFFZTMASA-N 1 0 263.772 2.775 10 30 CFEERO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000251883622 348294761 /nfs/dbraw/zinc/29/47/61/348294761.db2.gz VOKDTMDKSZUDBW-ROUUACIJSA-N 1 0 284.403 2.994 10 30 CFEERO CC[NH2+][C@@H]1C[C@H](C)CN(c2ccc(C#N)c3ncccc23)C1 ZINC000584640654 348700196 /nfs/dbraw/zinc/70/01/96/348700196.db2.gz LIFMBQPGDWHVQT-DZGCQCFKSA-N 1 0 294.402 2.931 10 30 CFEERO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000592181990 349095875 /nfs/dbraw/zinc/09/58/75/349095875.db2.gz PZYOHFLPEQUPHM-NWANDNLSSA-N 1 0 256.349 2.845 10 30 CFEERO Cc1nc(NCCC2CC[NH2+]CC2)c(Cl)cc1C#N ZINC000593232919 349232773 /nfs/dbraw/zinc/23/27/73/349232773.db2.gz HHCBRVFNJCILQT-UHFFFAOYSA-N 1 0 278.787 2.717 10 30 CFEERO C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000600961337 350638115 /nfs/dbraw/zinc/63/81/15/350638115.db2.gz PYTZOTSTRQHTFG-MWLCHTKSSA-N 1 0 283.297 2.608 10 30 CFEERO N#Cc1ccc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000600952558 350635658 /nfs/dbraw/zinc/63/56/58/350635658.db2.gz ZPIARCQSANAYAA-DGCLKSJQSA-N 1 0 283.297 2.522 10 30 CFEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000600951467 350635993 /nfs/dbraw/zinc/63/59/93/350635993.db2.gz JJQWWZSMDSGJPH-VHSXEESVSA-N 1 0 284.285 2.524 10 30 CFEERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616598901 352379864 /nfs/dbraw/zinc/37/98/64/352379864.db2.gz UYHFJYUTJIZTOC-HNNXBMFYSA-N 1 0 258.365 2.773 10 30 CFEERO N#Cc1cc(F)c(N2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000127047587 283096044 /nfs/dbraw/zinc/09/60/44/283096044.db2.gz FLWZRJDIBSLZBX-OAHLLOKOSA-N 1 0 291.345 2.805 10 30 CFEERO N#Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1C(F)(F)F ZINC000261760385 283106340 /nfs/dbraw/zinc/10/63/40/283106340.db2.gz UWWBZLABNAGJNI-PWSUYJOCSA-N 1 0 295.308 2.623 10 30 CFEERO N#Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)ccc1C(F)(F)F ZINC000261696554 283107131 /nfs/dbraw/zinc/10/71/31/283107131.db2.gz NWEFCQHUSFLJMU-CQSZACIVSA-N 1 0 295.308 2.767 10 30 CFEERO N#Cc1cc2c(nc1NCC1([NH3+])CCCCC1)CCCC2 ZINC000261721386 283117801 /nfs/dbraw/zinc/11/78/01/283117801.db2.gz QDWZQXRFKVBZMH-UHFFFAOYSA-N 1 0 284.407 2.906 10 30 CFEERO N#Cc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000246211992 283163148 /nfs/dbraw/zinc/16/31/48/283163148.db2.gz WZIJNIJBBZBQEF-ZDUSSCGKSA-N 1 0 295.308 2.861 10 30 CFEERO N#Cc1cnc2ccccc2c1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262137554 283243316 /nfs/dbraw/zinc/24/33/16/283243316.db2.gz MCEIEZZMRGFKIS-VBNZEHGJSA-N 1 0 292.386 2.670 10 30 CFEERO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000180881762 189281469 /nfs/dbraw/zinc/28/14/69/189281469.db2.gz SIILKUZMFVBYMY-GXTWGEPZSA-N 1 0 279.380 2.682 10 30 CFEERO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000180881783 189281833 /nfs/dbraw/zinc/28/18/33/189281833.db2.gz SIILKUZMFVBYMY-TZMCWYRMSA-N 1 0 279.380 2.682 10 30 CFEERO CC[C@@H](CNc1cc(C)nc(C)c1C#N)[NH+]1CCCC1 ZINC000301799208 201204841 /nfs/dbraw/zinc/20/48/41/201204841.db2.gz VEDSEPQGLUKVBF-AWEZNQCLSA-N 1 0 272.396 2.856 10 30 CFEERO N#C[C@H](c1ccccc1)[C@H](O)C[n+]1ccc2ccccc2c1 ZINC000012941779 372001566 /nfs/dbraw/zinc/00/15/66/372001566.db2.gz VTTKPNADEGBKRR-RTBURBONSA-N 1 0 289.358 2.796 10 30 CFEERO C[NH+](C)CC/N=C1\c2ccccc2COc2ccccc21 ZINC000027096302 372335214 /nfs/dbraw/zinc/33/52/14/372335214.db2.gz RVACZPAXUFAZHY-VHEBQXMUSA-N 1 0 280.371 2.978 10 30 CFEERO C[NH2+]C[C@@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000040602329 372785415 /nfs/dbraw/zinc/78/54/15/372785415.db2.gz KGMJQHFNQFIUQQ-ZDUSSCGKSA-N 1 0 280.375 2.542 10 30 CFEERO C#CCOc1ccc(C[NH2+]CCCCC)cc1OC ZINC000045945728 373038735 /nfs/dbraw/zinc/03/87/35/373038735.db2.gz RDDLNUWSZXZYIX-UHFFFAOYSA-N 1 0 261.365 2.987 10 30 CFEERO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000061891868 373736953 /nfs/dbraw/zinc/73/69/53/373736953.db2.gz OQLSFHUPCAVHLH-BJJXKVORSA-N 1 0 258.365 2.908 10 30 CFEERO Cc1cc(C)c(C#N)c(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000063201188 373797339 /nfs/dbraw/zinc/79/73/39/373797339.db2.gz FYIIUWKTPAIBAR-INIZCTEOSA-N 1 0 284.407 2.539 10 30 CFEERO N#Cc1cccc(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000070070210 374118838 /nfs/dbraw/zinc/11/88/38/374118838.db2.gz VQCVRWJIRMIVCH-HNNXBMFYSA-N 1 0 250.301 2.782 10 30 CFEERO CCCC(=O)N[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000092708752 375142525 /nfs/dbraw/zinc/14/25/25/375142525.db2.gz QAYJRBDOCDVVQH-CQSZACIVSA-N 1 0 279.428 2.697 10 30 CFEERO C=CCN(Cc1nnnn1C(C)C)CC1CCCCC1 ZINC000112202348 375890337 /nfs/dbraw/zinc/89/03/37/375890337.db2.gz LCJHVZMCRCASLM-UHFFFAOYSA-N 1 0 277.416 2.822 10 30 CFEERO C=CCCCN(C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000124146070 377021502 /nfs/dbraw/zinc/02/15/02/377021502.db2.gz LOTHNTUIWURQQP-OAHLLOKOSA-N 1 0 281.444 2.714 10 30 CFEERO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000124965697 377107027 /nfs/dbraw/zinc/10/70/27/377107027.db2.gz KCCZALFRUNEIIE-CHWSQXEVSA-N 1 0 266.410 2.997 10 30 CFEERO N#Cc1cc(NC[C@H]([NH3+])C2CC2)ccc1C(F)(F)F ZINC000129329907 377413153 /nfs/dbraw/zinc/41/31/53/377413153.db2.gz WOWJUGOYUUIMAX-LBPRGKRZSA-N 1 0 269.270 2.726 10 30 CFEERO N#Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000132530034 377849928 /nfs/dbraw/zinc/84/99/28/377849928.db2.gz KRHQXMQYJZEARW-NEPJUHHUSA-N 1 0 261.756 2.542 10 30 CFEERO Cc1cc(C)c(C#N)c(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000133713692 377951192 /nfs/dbraw/zinc/95/11/92/377951192.db2.gz NNRBNBVLGZWQIA-UHFFFAOYSA-N 1 0 284.407 2.539 10 30 CFEERO C[NH+](C)C[C@H](NCc1ccc(C#N)o1)c1ccccc1 ZINC000135136123 378088320 /nfs/dbraw/zinc/08/83/20/378088320.db2.gz IDDMKXLWYQVGHH-INIZCTEOSA-N 1 0 269.348 2.544 10 30 CFEERO N#CCCCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171037692 379214795 /nfs/dbraw/zinc/21/47/95/379214795.db2.gz SYHCHSYEIFHGHG-CQSZACIVSA-N 1 0 258.369 2.509 10 30 CFEERO Cc1cccc(NC[C@H]2CC[N@H+](CCCCC#N)C2)n1 ZINC000171037746 379216223 /nfs/dbraw/zinc/21/62/23/379216223.db2.gz DQSNVUXVGQKRMW-OAHLLOKOSA-N 1 0 272.396 2.818 10 30 CFEERO N#Cc1c(Br)cccc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000335581967 379553556 /nfs/dbraw/zinc/55/35/56/379553556.db2.gz ORINBQNEFXNEMC-NXEZZACHSA-N 1 0 294.196 2.860 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C#N)c1 ZINC000175055953 379986967 /nfs/dbraw/zinc/98/69/67/379986967.db2.gz GQIBHCAXTLSINE-IAGOWNOFSA-N 1 0 269.392 2.617 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(C#N)cc1 ZINC000176255553 380203031 /nfs/dbraw/zinc/20/30/31/380203031.db2.gz NWOUYOYWPREYRR-HNNXBMFYSA-N 1 0 286.379 2.506 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000181108127 380741191 /nfs/dbraw/zinc/74/11/91/380741191.db2.gz VAISVUPMLRYONG-HRCADAONSA-N 1 0 293.455 2.999 10 30 CFEERO CC[C@@](C)([NH3+])C#Cc1cscc1Br ZINC000306947712 382462248 /nfs/dbraw/zinc/46/22/48/382462248.db2.gz QPNCLHRTNAXKEN-SNVBAGLBSA-N 1 0 258.184 2.990 10 30 CFEERO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCc2nccn2C1 ZINC000328621150 382556941 /nfs/dbraw/zinc/55/69/41/382556941.db2.gz AIHPRDFCRYBVTM-ZDUSSCGKSA-N 1 0 298.365 2.588 10 30 CFEERO FC(F)(F)C(F)([C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000575433848 382770828 /nfs/dbraw/zinc/77/08/28/382770828.db2.gz OZDXIUBGIHDEDM-YFKPBYRVSA-N 1 0 253.161 2.819 10 30 CFEERO CC[C@H](C)[N@H+](C)CCNc1cc(C)nc(C)c1C#N ZINC000227593506 382838099 /nfs/dbraw/zinc/83/80/99/382838099.db2.gz CQCVJEUBPIQBDZ-LBPRGKRZSA-N 1 0 260.385 2.712 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1C#N ZINC000246006907 383057440 /nfs/dbraw/zinc/05/74/40/383057440.db2.gz JWXQZDJMLYCACD-SJORKVTESA-N 1 0 287.382 2.756 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCC(C)(C)C#N ZINC000246556467 383081380 /nfs/dbraw/zinc/08/13/80/383081380.db2.gz LLVGIZUXBFZJTR-CABCVRRESA-N 1 0 263.429 2.875 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)s1 ZINC000248415789 383238948 /nfs/dbraw/zinc/23/89/48/383238948.db2.gz OPCJFBFSTKJJEX-STQMWFEESA-N 1 0 275.421 2.678 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1C ZINC000249153248 383331565 /nfs/dbraw/zinc/33/15/65/383331565.db2.gz YVHLJEIZMWBTBG-ROUUACIJSA-N 1 0 283.419 2.925 10 30 CFEERO C[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@H]1[NH+](C)C ZINC000251932052 383400949 /nfs/dbraw/zinc/40/09/49/383400949.db2.gz YVAABUHRFYTQEI-QMTHXVAHSA-N 1 0 263.772 2.598 10 30 CFEERO N#Cc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(Cl)c1 ZINC000252941432 383439726 /nfs/dbraw/zinc/43/97/26/383439726.db2.gz ZVUZVASGSYSMHT-HNNXBMFYSA-N 1 0 289.810 2.882 10 30 CFEERO C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)[C@H](C)[NH3+] ZINC000261593476 383524500 /nfs/dbraw/zinc/52/45/00/383524500.db2.gz ZEBNBSDZDBDGDF-JGVFFNPUSA-N 1 0 257.259 2.725 10 30 CFEERO Cc1nc(NC[C@H]2[NH2+]CCc3ccccc32)ccc1C#N ZINC000261651539 383536434 /nfs/dbraw/zinc/53/64/34/383536434.db2.gz JUKURWHVTLORIJ-MRXNPFEDSA-N 1 0 278.359 2.561 10 30 CFEERO N#Cc1cccc(NCC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000261667139 383539243 /nfs/dbraw/zinc/53/92/43/383539243.db2.gz FOQWGRAGEPNMLG-UHFFFAOYSA-N 1 0 274.324 2.540 10 30 CFEERO Cc1nc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c(Cl)cc1C#N ZINC000261670006 383540183 /nfs/dbraw/zinc/54/01/83/383540183.db2.gz ZZAPRTHWPNJAER-ONGXEEELSA-N 1 0 278.787 2.715 10 30 CFEERO N#Cc1cnc2ccccc2c1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262137552 383608679 /nfs/dbraw/zinc/60/86/79/383608679.db2.gz MCEIEZZMRGFKIS-MAZHCROVSA-N 1 0 292.386 2.670 10 30 CFEERO N#Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F ZINC000261812866 383565096 /nfs/dbraw/zinc/56/50/96/383565096.db2.gz ZUZMLKKSRVSHRN-BHYNMZESSA-N 1 0 295.308 2.751 10 30 CFEERO Cc1cc(C)c(C#N)c(NC[C@H]2[NH2+]CCc3ccccc32)n1 ZINC000262558225 383627413 /nfs/dbraw/zinc/62/74/13/383627413.db2.gz UQRZFBXLSKRSEL-QGZVFWFLSA-N 1 0 292.386 2.869 10 30 CFEERO C(#Cc1ccccc1)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000192034286 130355568 /nfs/dbraw/zinc/35/55/68/130355568.db2.gz VNGHTZLQOFMVRN-GOSISDBHSA-N 1 0 291.398 2.867 10 30 CFEERO C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000251689561 131130389 /nfs/dbraw/zinc/13/03/89/131130389.db2.gz IGISEUNWMJLLGN-IINYFYTJSA-N 1 0 297.324 2.963 10 30 CFEERO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000183130910 393517767 /nfs/dbraw/zinc/51/77/67/393517767.db2.gz OAUWRYGJCSVRMS-SWLSCSKDSA-N 1 0 263.768 2.849 10 30 CFEERO C=CC[N@H+](Cc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000046054155 393576946 /nfs/dbraw/zinc/57/69/46/393576946.db2.gz AWTWKMRSSGVBIO-INIZCTEOSA-N 1 0 277.408 2.851 10 30 CFEERO Cc1cnn([C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC000192009799 393611454 /nfs/dbraw/zinc/61/14/54/393611454.db2.gz KOWCZKCFJAHCML-GOSISDBHSA-N 1 0 279.387 2.880 10 30 CFEERO CC/C(=N/O)c1cn(CC[NH+](C)C)c2ccccc12 ZINC000005421394 170097773 /nfs/dbraw/zinc/09/77/73/170097773.db2.gz PNWRDBWQKOXCMK-PEZBUJJGSA-N 1 0 259.353 2.791 10 30 in-man CFEERO C[NH+](C)CCN[C@H](C#N)c1ccc(Cl)cc1Cl ZINC000020177047 171042871 /nfs/dbraw/zinc/04/28/71/171042871.db2.gz PALPRHPRUSPAOU-GFCCVEGCSA-N 1 0 272.179 2.709 10 30 CFEERO C=CCc1ccccc1OC[C@H](O)[C@H](C)[NH2+]C(C)C ZINC000028767994 171574373 /nfs/dbraw/zinc/57/43/73/171574373.db2.gz VRFUPKIPFIFAMP-ZFWWWQNUSA-N 1 0 263.381 2.541 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(CC)n1C ZINC000661118372 413769435 /nfs/dbraw/zinc/76/94/35/413769435.db2.gz ZQDCAXJSVHIZAC-OLZOCXBDSA-N 1 0 262.401 2.602 10 30 CFEERO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(CC)n1C ZINC000661118373 413770473 /nfs/dbraw/zinc/77/04/73/413770473.db2.gz ZQDCAXJSVHIZAC-QWHCGFSZSA-N 1 0 262.401 2.602 10 30 CFEERO [NH3+]CC#Cc1cccc(OCc2cccc(F)c2)c1 ZINC000037547986 173264620 /nfs/dbraw/zinc/26/46/20/173264620.db2.gz FEQSGHBXHKERQA-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000659330864 414500748 /nfs/dbraw/zinc/50/07/48/414500748.db2.gz BTUWGICFYCDGLI-KBXIAJHMSA-N 1 0 264.413 2.626 10 30 CFEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H]([NH3+])C(C)C ZINC000662600173 414570867 /nfs/dbraw/zinc/57/08/67/414570867.db2.gz BTPXQZNXIASEGX-HZSPNIEDSA-N 1 0 252.402 2.611 10 30 CFEERO CC[NH2+][C@H](C)c1cnn(-c2cccc(C#N)c2)c1C ZINC000040932932 174436323 /nfs/dbraw/zinc/43/63/23/174436323.db2.gz QZPVUHAOULZHEA-LLVKDONJSA-N 1 0 254.337 2.723 10 30 CFEERO Cc1cccc([C@H](C[NH3+])Oc2cccc(C#N)c2)c1 ZINC000042968658 174932363 /nfs/dbraw/zinc/93/23/63/174932363.db2.gz WIQQJHOAWLJFPV-INIZCTEOSA-N 1 0 252.317 2.946 10 30 CFEERO CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)C[C@@H](C)C#N ZINC000042972914 174936845 /nfs/dbraw/zinc/93/68/45/174936845.db2.gz MYILCOSGAKQYPO-GLQYFDAESA-N 1 0 263.360 2.696 10 30 CFEERO CC[C@H]([NH3+])[C@H](c1ccccc1F)N(CC)CCC#N ZINC000043045452 174956392 /nfs/dbraw/zinc/95/63/92/174956392.db2.gz SOJVNUKKPSVYJI-GJZGRUSLSA-N 1 0 263.360 2.840 10 30 CFEERO N#Cc1ccc(N[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000043326182 175007701 /nfs/dbraw/zinc/00/77/01/175007701.db2.gz XKPJIIOPAVPAEG-JTQLQIEISA-N 1 0 269.270 2.741 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1C#N)c1ccccn1 ZINC000043342574 175015863 /nfs/dbraw/zinc/01/58/63/175015863.db2.gz SVXOSHLSEVGORP-CZUORRHYSA-N 1 0 267.332 2.811 10 30 CFEERO C#CCOc1ccc2c(c1)OC(C)(C)C[C@H]2[NH2+]CC ZINC000043460416 175051231 /nfs/dbraw/zinc/05/12/31/175051231.db2.gz SSGMBOSDKGXWEH-CQSZACIVSA-N 1 0 259.349 2.910 10 30 CFEERO C[NH2+][C@H]1CC(C)(C)Oc2cc(O[C@@H](C)C#N)ccc21 ZINC000043513896 175061491 /nfs/dbraw/zinc/06/14/91/175061491.db2.gz OMXYZRHVYCNHGO-GWCFXTLKSA-N 1 0 260.337 2.799 10 30 CFEERO CC[NH2+]Cc1cc(Cl)c(O[C@H](C)C#N)c(OC)c1 ZINC000043513384 175061523 /nfs/dbraw/zinc/06/15/23/175061523.db2.gz JJKAKMVJKPMBPI-SECBINFHSA-N 1 0 268.744 2.749 10 30 CFEERO CC[C@H]([NH3+])Cc1ccc(O[C@H](C)C#N)c(Cl)c1 ZINC000043518926 175061969 /nfs/dbraw/zinc/06/19/69/175061969.db2.gz PZGKTNFDDBXKAK-KOLCDFICSA-N 1 0 252.745 2.911 10 30 CFEERO C[C@@H]([NH3+])Cc1cc(Br)ccc1O[C@H](C)C#N ZINC000043518631 175062164 /nfs/dbraw/zinc/06/21/64/175062164.db2.gz QKQHQAGGANYTND-RKDXNWHRSA-N 1 0 283.169 2.630 10 30 CFEERO CC[C@@H](C#N)Oc1ccc(Br)cc1C[NH3+] ZINC000043538654 175063951 /nfs/dbraw/zinc/06/39/51/175063951.db2.gz WOIWIXXOFNDPCH-JTQLQIEISA-N 1 0 269.142 2.589 10 30 CFEERO CC[C@@H](C#N)Oc1ccc(Cl)cc1C[C@H](C)[NH3+] ZINC000043543578 175064436 /nfs/dbraw/zinc/06/44/36/175064436.db2.gz QHXRWQNBBUDJAF-CABZTGNLSA-N 1 0 252.745 2.911 10 30 CFEERO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000043588618 175073167 /nfs/dbraw/zinc/07/31/67/175073167.db2.gz VWSNRKGSPCVLKZ-HIFRSBDPSA-N 1 0 285.391 2.515 10 30 CFEERO CC[N@H+](Cc1ccco1)Cc1sccc1C#CCO ZINC000043678494 175088723 /nfs/dbraw/zinc/08/87/23/175088723.db2.gz NEXSFXLQOLIDIY-UHFFFAOYSA-N 1 0 275.373 2.707 10 30 CFEERO C[N@H+](Cc1ccc(C#CCO)s1)Cc1ccc(F)cc1 ZINC000043678662 175089609 /nfs/dbraw/zinc/08/96/09/175089609.db2.gz GVQPLFJZURFJLR-UHFFFAOYSA-N 1 0 289.375 2.863 10 30 CFEERO OCC#Cc1ccsc1C[NH+]1CCCCCCC1 ZINC000043679312 175089855 /nfs/dbraw/zinc/08/98/55/175089855.db2.gz XIGVGMRHSARCHX-UHFFFAOYSA-N 1 0 263.406 2.858 10 30 CFEERO CC[C@@H](C)C[N@H+](C)Cc1ccc(C#CCO)s1 ZINC000043679544 175090100 /nfs/dbraw/zinc/09/01/00/175090100.db2.gz YLXKZJNTNKYWRM-GFCCVEGCSA-N 1 0 251.395 2.570 10 30 CFEERO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(C#CCCO)s1 ZINC000043679711 175090286 /nfs/dbraw/zinc/09/02/86/175090286.db2.gz AJIGQZKCTRNEGB-LBPRGKRZSA-N 1 0 263.406 2.712 10 30 CFEERO CC[C@H](C)C[N@H+](C)Cc1ccc(C#CCCO)s1 ZINC000043679556 175090460 /nfs/dbraw/zinc/09/04/60/175090460.db2.gz NZCANVWFSQNOIC-ZDUSSCGKSA-N 1 0 265.422 2.960 10 30 CFEERO N#Cc1c(F)cccc1OCc1sccc1C#CC[NH3+] ZINC000043685292 175093988 /nfs/dbraw/zinc/09/39/88/175093988.db2.gz KIBHMZOVYASGRB-UHFFFAOYSA-N 1 0 286.331 2.648 10 30 CFEERO COc1cccc(OCc2cc(C#CC[NH3+])cs2)c1 ZINC000043689245 175096156 /nfs/dbraw/zinc/09/61/56/175096156.db2.gz ZGTKIXPSRYBAQR-UHFFFAOYSA-N 1 0 273.357 2.646 10 30 CFEERO CCC[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000044288248 175159729 /nfs/dbraw/zinc/15/97/29/175159729.db2.gz BNODMXMEJWXKLD-UHFFFAOYSA-N 1 0 291.420 2.827 10 30 CFEERO C[C@@H]([NH2+]C[C@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000044561878 175206181 /nfs/dbraw/zinc/20/61/81/175206181.db2.gz FFQVUVQLCGKHMA-CZUORRHYSA-N 1 0 257.381 2.693 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCC[NH2+]C1 ZINC000071397684 176151163 /nfs/dbraw/zinc/15/11/63/176151163.db2.gz PRMQKTGGIFAKMV-LLVKDONJSA-N 1 0 269.270 2.741 10 30 CFEERO C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000085971185 260206204 /nfs/dbraw/zinc/20/62/04/260206204.db2.gz OWWRLWZBLUQXGZ-NVXWUHKLSA-N 1 0 275.392 2.892 10 30 CFEERO C[C@H]1C[C@@H]1NC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160676661 264254751 /nfs/dbraw/zinc/25/47/51/264254751.db2.gz JAZDDSCWYWINNU-CBAPKCEASA-N 1 0 273.258 2.720 10 30 CFEERO C[C@H]1C[C@H]1NC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160676888 264254861 /nfs/dbraw/zinc/25/48/61/264254861.db2.gz JAZDDSCWYWINNU-IONNQARKSA-N 1 0 273.258 2.720 10 30 CFEERO C=CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000189201697 264277539 /nfs/dbraw/zinc/27/75/39/264277539.db2.gz LJHJGJHJAWAATA-SJORKVTESA-N 1 0 286.419 2.947 10 30 CFEERO CCC[C@]1(C)CCCN(C(NC[C@H]2CCOC2)=[NH+]CC)C1 ZINC000128194275 264282093 /nfs/dbraw/zinc/28/20/93/264282093.db2.gz ZJLZQOULUASXNW-NVXWUHKLSA-N 1 0 295.471 2.891 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[C@@H]1[NH3+] ZINC000164115512 274362999 /nfs/dbraw/zinc/36/29/99/274362999.db2.gz DQHZZAGHPNLZBG-RNCFNFMXSA-N 1 0 283.297 2.751 10 30 CFEERO Cc1cc(N2CC[NH+](C3CCCC3)CC2)c(C#N)c(C)n1 ZINC000133753950 274706571 /nfs/dbraw/zinc/70/65/71/274706571.db2.gz PGAMOZCWZAODPO-UHFFFAOYSA-N 1 0 284.407 2.635 10 30 CFEERO C[NH2+]C[C@H]1CCCN1c1ccc(C#N)cc1Br ZINC000214272808 277285721 /nfs/dbraw/zinc/28/57/21/277285721.db2.gz PXLBKRRUHJAUHS-LLVKDONJSA-N 1 0 294.196 2.509 10 30 CFEERO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000132434834 278318447 /nfs/dbraw/zinc/31/84/47/278318447.db2.gz FTSLLTQZDIEKJN-ZJUUUORDSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C[NH3+] ZINC000163964566 278557640 /nfs/dbraw/zinc/55/76/40/278557640.db2.gz NRTFGAWEIPBEGY-PWSUYJOCSA-N 1 0 297.324 2.998 10 30 CFEERO C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000251689564 278800746 /nfs/dbraw/zinc/80/07/46/278800746.db2.gz IGISEUNWMJLLGN-QMTHXVAHSA-N 1 0 297.324 2.963 10 30 CFEERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(C)(C)C#N)C1)CCCC2 ZINC000335320306 279114666 /nfs/dbraw/zinc/11/46/66/279114666.db2.gz JMDTZNUQRCJNDK-CYBMUJFWSA-N 1 0 272.396 2.619 10 30 CFEERO C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1ccc(C#N)cc1 ZINC000251749441 279533533 /nfs/dbraw/zinc/53/35/33/279533533.db2.gz QUHOLUDEABMYEL-VBNZEHGJSA-N 1 0 258.365 2.902 10 30 CFEERO C[C@@H]([NH3+])C[C@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000320693049 322437487 /nfs/dbraw/zinc/43/74/87/322437487.db2.gz QQDQEXJSBVPVTC-MNOVXSKESA-N 1 0 254.337 2.644 10 30 CFEERO CC(C)NC(=[NH2+])NCc1cc(Cl)sc1Cl ZINC000261973891 326969814 /nfs/dbraw/zinc/96/98/14/326969814.db2.gz FEBZIRHBMFFEMD-UHFFFAOYSA-N 1 0 266.197 2.868 10 30 CFEERO C[C@@H]1CCCN(C(=[NH2+])N[C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000170911257 329072049 /nfs/dbraw/zinc/07/20/49/329072049.db2.gz PUJGBTXKRDFYTE-KCPJHIHWSA-N 1 0 275.371 2.728 10 30 CFEERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCSCC#N ZINC000173887901 329153230 /nfs/dbraw/zinc/15/32/30/329153230.db2.gz LAZNJBGDYXHOOL-AWEZNQCLSA-N 1 0 292.452 2.821 10 30 CFEERO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177280113 329185769 /nfs/dbraw/zinc/18/57/69/329185769.db2.gz JBUGOARWJZWLOE-HZPDHXFCSA-N 1 0 268.445 2.609 10 30 CFEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066391667 329847256 /nfs/dbraw/zinc/84/72/56/329847256.db2.gz QDYSRIPRMRVFSJ-UWVGGRQHSA-N 1 0 284.762 2.820 10 30 CFEERO C=CCOc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1Cl ZINC000262101915 329999806 /nfs/dbraw/zinc/99/98/06/329999806.db2.gz VQUGMAJOGLRWIB-SMDDNHRTSA-N 1 0 280.799 2.684 10 30 CFEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262422777 330009459 /nfs/dbraw/zinc/00/94/59/330009459.db2.gz LDJLJKRNXASFAC-DGCLKSJQSA-N 1 0 289.379 2.763 10 30 CFEERO C[NH+]=C(NC(C)C)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262371092 330011247 /nfs/dbraw/zinc/01/12/47/330011247.db2.gz IQFOAFDFDKYWBI-BXKDBHETSA-N 1 0 283.778 2.908 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)NC1CCCC1 ZINC000262452939 330014235 /nfs/dbraw/zinc/01/42/35/330014235.db2.gz WJELGAXLQUZRCQ-SMDDNHRTSA-N 1 0 293.361 2.928 10 30 CFEERO C[C@@H]1CCCN(C(=[NH2+])NCc2ncoc2-c2ccccc2)C1 ZINC000262462017 330014976 /nfs/dbraw/zinc/01/49/76/330014976.db2.gz FYRNJUDSCNBMIT-CYBMUJFWSA-N 1 0 298.390 2.888 10 30 CFEERO CN(C)C(NCc1ccccc1)=[NH+]CC1(C(F)F)CC1 ZINC000262465894 330015087 /nfs/dbraw/zinc/01/50/87/330015087.db2.gz NPGSUZBJZYNMEB-UHFFFAOYSA-N 1 0 281.350 2.739 10 30 CFEERO CN(C)C(=[NH+]CC1CCC(C(F)(F)F)CC1)N(C)C ZINC000262489121 330017126 /nfs/dbraw/zinc/01/71/26/330017126.db2.gz XDEOHVUKYRCIIG-UHFFFAOYSA-N 1 0 279.350 2.834 10 30 CFEERO CCN(CC)C(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262528941 330019659 /nfs/dbraw/zinc/01/96/59/330019659.db2.gz MNFAQABFBCYVRU-JOYOIKCWSA-N 1 0 283.778 2.992 10 30 CFEERO [NH2+]=C(Nc1cccc2c1CCCC2)N[C@H]1C[C@@H]1C(F)F ZINC000262685468 330026999 /nfs/dbraw/zinc/02/69/99/330026999.db2.gz AGQRSZPXYYCTNJ-AAEUAGOBSA-N 1 0 279.334 2.946 10 30 CFEERO CC[NH+]=C(NCc1ccsc1)N[C@H]1CC1(C)C ZINC000262691011 330027551 /nfs/dbraw/zinc/02/75/51/330027551.db2.gz DYWVIMZSLPIYMA-NSHDSACASA-N 1 0 251.399 2.602 10 30 CFEERO C[NH+]=C(NCc1nc(C(C)C)c(C)s1)N[C@@H]1C[C@@H]1C ZINC000262772129 330030549 /nfs/dbraw/zinc/03/05/49/330030549.db2.gz JARFSYIXMYWEBN-GXSJLCMTSA-N 1 0 280.441 2.648 10 30 CFEERO CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@H](C)C(C)C ZINC000262808658 330033063 /nfs/dbraw/zinc/03/30/63/330033063.db2.gz UJIRDBDZBMWSRX-YCPHGPKFSA-N 1 0 283.460 2.527 10 30 CFEERO [NH2+]=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)NC1CCC1 ZINC000263086796 330042888 /nfs/dbraw/zinc/04/28/88/330042888.db2.gz ILFIXKLKZNEAEK-QWHCGFSZSA-N 1 0 295.333 2.601 10 30 CFEERO CN(C)C(=[NH+]C[C@]1(C)C[C@H]1c1ccccc1)N(C)C ZINC000263193280 330048302 /nfs/dbraw/zinc/04/83/02/330048302.db2.gz WBKHDHDQBXXLEI-HOCLYGCPSA-N 1 0 259.397 2.659 10 30 CFEERO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263504315 330058145 /nfs/dbraw/zinc/05/81/45/330058145.db2.gz LOJYUMGRVQWKEA-KCNJBTMXSA-N 1 0 294.439 2.504 10 30 CFEERO CC(C)[NH+]1CCC(N=Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498050249 332663401 /nfs/dbraw/zinc/66/34/01/332663401.db2.gz ONNSUOCSKQRSCF-UHFFFAOYSA-N 1 0 276.340 2.867 10 30 CFEERO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000076007607 334066506 /nfs/dbraw/zinc/06/65/06/334066506.db2.gz VYOJXZBYWKMWKX-LBPRGKRZSA-N 1 0 254.374 2.552 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(CC#N)cc1 ZINC000343607243 335211681 /nfs/dbraw/zinc/21/16/81/335211681.db2.gz KAYXIHYTYGGNDY-QGZVFWFLSA-N 1 0 271.408 2.669 10 30 CFEERO CCC[NH2+]CCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000054267436 519918357 /nfs/dbraw/zinc/91/83/57/519918357.db2.gz FMWYDIMKWMFJLF-UHFFFAOYSA-N 1 0 271.286 2.989 10 30 CFEERO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H]1C ZINC000052273746 518321544 /nfs/dbraw/zinc/32/15/44/518321544.db2.gz GSNZZJKLBIKMGZ-GWCFXTLKSA-N 1 0 294.192 2.959 10 30 CFEERO C#CCSCC[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000182375798 518336878 /nfs/dbraw/zinc/33/68/78/518336878.db2.gz ZKPKUCGMKYVKMQ-CYBMUJFWSA-N 1 0 263.406 2.755 10 30 CFEERO C(#Cc1ccccc1)C[NH2+]CCOc1ccccc1 ZINC000051814363 518368432 /nfs/dbraw/zinc/36/84/32/518368432.db2.gz GHJFUEGBENBKCL-UHFFFAOYSA-N 1 0 251.329 2.707 10 30 CFEERO C=C[C@H](C)Oc1c(Br)cc(C[NH3+])cc1OC ZINC000052141702 519300913 /nfs/dbraw/zinc/30/09/13/519300913.db2.gz PAGVFGHUXVEPRW-QMMMGPOBSA-N 1 0 286.169 2.870 10 30 CFEERO CC(C)CCC[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000049148577 519645110 /nfs/dbraw/zinc/64/51/10/519645110.db2.gz CYWQARYZYUNUGQ-OAHLLOKOSA-N 1 0 286.419 2.941 10 30 CFEERO CC(C)CC[C@@H](C)NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000069235774 519681624 /nfs/dbraw/zinc/68/16/24/519681624.db2.gz NFMNYXWUZTXTBZ-CYBMUJFWSA-N 1 0 290.382 2.690 10 30 CFEERO CC(C)C[C@@H](C[NH3+])Nc1cc(C#N)c2ccccc2n1 ZINC000068771323 519776527 /nfs/dbraw/zinc/77/65/27/519776527.db2.gz GGTNIABZLCAEMJ-ZDUSSCGKSA-N 1 0 268.364 2.892 10 30 CFEERO CC(C)C[C@@H](C[NH3+])Nc1c(F)cc(C#N)cc1F ZINC000133684832 519776533 /nfs/dbraw/zinc/77/65/33/519776533.db2.gz ITADNYZCKJJKAI-JTQLQIEISA-N 1 0 253.296 2.622 10 30 CFEERO CC(C)[C@@H]([NH3+])CNc1cccc(Br)c1C#N ZINC000165081299 519796399 /nfs/dbraw/zinc/79/63/99/519796399.db2.gz YMYNLNIXYDLCNK-NSHDSACASA-N 1 0 282.185 2.716 10 30 CFEERO CC(C)[C@@H]([NH3+])CCN(C)c1c(C#N)cnc2ccccc21 ZINC000156784907 519796481 /nfs/dbraw/zinc/79/64/81/519796481.db2.gz RNBVIMBGRIJUIF-HNNXBMFYSA-N 1 0 282.391 2.916 10 30 CFEERO CCC1CC[NH+](Cc2ccc(OC)c(C#CCO)c2)CC1 ZINC000049614983 519859778 /nfs/dbraw/zinc/85/97/78/519859778.db2.gz JLCCBOVIOUEZOI-UHFFFAOYSA-N 1 0 287.403 2.661 10 30 CFEERO CCC[NH2+]CCCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000050617331 519914295 /nfs/dbraw/zinc/91/42/95/519914295.db2.gz GSFONSOCXKUTER-UHFFFAOYSA-N 1 0 270.336 2.540 10 30 CFEERO CCC[NH2+][C@H](C)c1nnc(-c2ccc(C#N)cc2)o1 ZINC000050619418 520067349 /nfs/dbraw/zinc/06/73/49/520067349.db2.gz QGJYBKWSAMHTGH-SNVBAGLBSA-N 1 0 256.309 2.669 10 30 CFEERO CCC[C@H](C)[N@H+](C)Cc1cc(C#CCO)ccc1OC ZINC000049613215 521035355 /nfs/dbraw/zinc/03/53/55/521035355.db2.gz KAXJFVIDEXCPEE-AWEZNQCLSA-N 1 0 275.392 2.659 10 30 CFEERO CC[N@H+](Cc1ccc(C#CCCO)cc1F)C1CC1 ZINC000049617356 521297049 /nfs/dbraw/zinc/29/70/49/521297049.db2.gz PYRBKICLKWDVRT-UHFFFAOYSA-N 1 0 261.340 2.544 10 30 CFEERO CC[N@H+](Cc1ccccc1C#CCO)C1CCCC1 ZINC000049618366 521376823 /nfs/dbraw/zinc/37/68/23/521376823.db2.gz FMOHOJDSZPWSCJ-UHFFFAOYSA-N 1 0 257.377 2.795 10 30 CFEERO CCC[N@H+](Cc1ccc(C#CCCO)cc1)C1CC1 ZINC000049617676 521681830 /nfs/dbraw/zinc/68/18/30/521681830.db2.gz RSZYPHQZNOPBMX-UHFFFAOYSA-N 1 0 257.377 2.795 10 30 CFEERO CC[C@@H](C)[N@H+](CC)CCOc1cccc(C#CCO)c1 ZINC000049617584 522083478 /nfs/dbraw/zinc/08/34/78/522083478.db2.gz RPDDRCMTIFZIMG-OAHLLOKOSA-N 1 0 275.392 2.530 10 30 CFEERO CC[C@@H](NC(=O)c1ccc(C#CC[NH3+])cc1)c1cccs1 ZINC000049533322 522780986 /nfs/dbraw/zinc/78/09/86/522780986.db2.gz OFAAYACNHIWEIX-OAHLLOKOSA-N 1 0 298.411 2.939 10 30 CFEERO C[N@H+](CCOc1cccc(C#CCO)c1)C1CCCCC1 ZINC000049616482 522910110 /nfs/dbraw/zinc/91/01/10/522910110.db2.gz UCFLJEVMNXFNEN-UHFFFAOYSA-N 1 0 287.403 2.674 10 30 CFEERO CC[C@H]1CCC[N@H+](Cc2ccc(F)c(C#CCO)c2)C1 ZINC000049613085 523091228 /nfs/dbraw/zinc/09/12/28/523091228.db2.gz UPBPCZUSAHFGBB-AWEZNQCLSA-N 1 0 275.367 2.792 10 30 CFEERO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#CCO)cc1 ZINC000049617484 523178937 /nfs/dbraw/zinc/17/89/37/523178937.db2.gz DFIYHFZSRIURJK-QGZVFWFLSA-N 1 0 257.377 2.795 10 30 CFEERO C[N@H+](Cc1ccc(F)c(C#CCO)c1)C1CCCC1 ZINC000049617550 523238551 /nfs/dbraw/zinc/23/85/51/523238551.db2.gz JIJSDQWSCLXHRL-UHFFFAOYSA-N 1 0 261.340 2.544 10 30 CFEERO CC[C@@H]1CCC[N@H+](Cc2cc(C#CCO)ccc2OC)C1 ZINC000049613053 523249670 /nfs/dbraw/zinc/24/96/70/523249670.db2.gz CBLSIFBXIMNWJX-OAHLLOKOSA-N 1 0 287.403 2.661 10 30 CFEERO CC[C@@H]1CCC[N@H+](Cc2ccc(C#CCO)cc2F)C1 ZINC000049613062 523253097 /nfs/dbraw/zinc/25/30/97/523253097.db2.gz BROGWAPFZRTRTR-CQSZACIVSA-N 1 0 275.367 2.792 10 30 CFEERO C[N@H+](Cc1ccccc1)Cc1ccc(C#CCO)cc1F ZINC000049616320 523346936 /nfs/dbraw/zinc/34/69/36/523346936.db2.gz DLDGRPJJGSLIPX-UHFFFAOYSA-N 1 0 283.346 2.802 10 30 CFEERO C[N@H+](Cc1ccoc1)Cc1cccc(C#CCCO)c1 ZINC000049614338 523476861 /nfs/dbraw/zinc/47/68/61/523476861.db2.gz WRZYJVMQUKRSHU-UHFFFAOYSA-N 1 0 269.344 2.646 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1COCCCC(C)C ZINC000049610941 523515234 /nfs/dbraw/zinc/51/52/34/523515234.db2.gz VNFIUPZHUWHCIH-UHFFFAOYSA-N 1 0 275.392 2.958 10 30 CFEERO COc1ccc(C#CCO)cc1C[NH+]1CCC(C)(C)CC1 ZINC000061821313 523516489 /nfs/dbraw/zinc/51/64/89/523516489.db2.gz PLGRNHYAHPQRRO-UHFFFAOYSA-N 1 0 287.403 2.661 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1COc1ccccc1 ZINC000049610525 523517381 /nfs/dbraw/zinc/51/73/81/523517381.db2.gz WSCXHFBPSIBQGU-UHFFFAOYSA-N 1 0 267.328 2.584 10 30 CFEERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000195520260 523607611 /nfs/dbraw/zinc/60/76/11/523607611.db2.gz KIZYASJPKWNVGL-INIZCTEOSA-N 1 0 295.390 2.549 10 30 CFEERO CCc1c(C)nn(Cc2ccc(F)cc2C#CC[NH3+])c1C ZINC000049610260 523716332 /nfs/dbraw/zinc/71/63/32/523716332.db2.gz IQTAAJSRFKIXAC-UHFFFAOYSA-N 1 0 285.366 2.560 10 30 CFEERO C[N@@H+]1CCCC[C@H]1CCNCc1cccc(C#N)c1 ZINC000052205641 523798097 /nfs/dbraw/zinc/79/80/97/523798097.db2.gz RZCUNCJYRSYOCS-INIZCTEOSA-N 1 0 257.381 2.522 10 30 CFEERO COc1ccc(CC[NH3+])cc1OCC#Cc1ccccc1 ZINC000051814777 523942485 /nfs/dbraw/zinc/94/24/85/523942485.db2.gz SNLVDRFIZTXROX-UHFFFAOYSA-N 1 0 281.355 2.627 10 30 CFEERO COc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#CCO ZINC000049616643 524042047 /nfs/dbraw/zinc/04/20/47/524042047.db2.gz VFAZPGJPJLKLKI-GASCZTMLSA-N 1 0 287.403 2.517 10 30 CFEERO COc1ccc(COc2ccccc2C)cc1C#CC[NH3+] ZINC000049610507 524121485 /nfs/dbraw/zinc/12/14/85/524121485.db2.gz RQEYYDQBULTMFX-UHFFFAOYSA-N 1 0 281.355 2.893 10 30 CFEERO Cc1cccc(C[N@@H+](C)Cc2ccccc2C#CCO)c1 ZINC000049615090 524374919 /nfs/dbraw/zinc/37/49/19/524374919.db2.gz LKFWQCKZIANFIR-UHFFFAOYSA-N 1 0 279.383 2.971 10 30 CFEERO C[C@H]([NH3+])[C@H]1CCCCN1c1cc(Cl)ccc1C#N ZINC000063196512 524857039 /nfs/dbraw/zinc/85/70/39/524857039.db2.gz CWZKWQOVMWUCAB-GXFFZTMASA-N 1 0 263.772 2.918 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(C#N)ccc1F ZINC000083704538 525082992 /nfs/dbraw/zinc/08/29/92/525082992.db2.gz DZSZYMCKLXWQCM-CZUORRHYSA-N 1 0 287.382 2.756 10 30 CFEERO C[C@@H](NC(=O)c1ccsc1)c1ccc(C#CC[NH3+])cc1 ZINC000049586756 525369690 /nfs/dbraw/zinc/36/96/90/525369690.db2.gz GNNFFZASRYNNSS-GFCCVEGCSA-N 1 0 284.384 2.549 10 30 CFEERO Cc1ccc(OCCC[NH+]2CCCC2)c(C#CCCO)c1 ZINC000049334018 525409940 /nfs/dbraw/zinc/40/99/40/525409940.db2.gz HPOHVYQHFWIAPU-UHFFFAOYSA-N 1 0 287.403 2.594 10 30 CFEERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000336236520 525668397 /nfs/dbraw/zinc/66/83/97/525668397.db2.gz WMFGXGNCOHOMCS-YGRLFVJLSA-N 1 0 264.756 2.557 10 30 CFEERO Cc1ccsc1C(=O)N(C)Cc1ccccc1C#CC[NH3+] ZINC000049586855 525817126 /nfs/dbraw/zinc/81/71/26/525817126.db2.gz CXHNDSZTADQEED-UHFFFAOYSA-N 1 0 298.411 2.639 10 30 CFEERO Cc1ccc(C(=O)N[C@H](C)c2ccc(C#CC[NH3+])cc2)s1 ZINC000049586776 526210762 /nfs/dbraw/zinc/21/07/62/526210762.db2.gz STPBRQIYSBSRTP-CYBMUJFWSA-N 1 0 298.411 2.858 10 30 CFEERO N#Cc1c(Br)cccc1NCC[C@H]1CC[NH2+]C1 ZINC000169069981 526517746 /nfs/dbraw/zinc/51/77/46/526517746.db2.gz HSUYKIHLOHOXRN-SNVBAGLBSA-N 1 0 294.196 2.732 10 30 CFEERO N#Cc1c(Cl)cccc1N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000052904459 526520025 /nfs/dbraw/zinc/52/00/25/526520025.db2.gz JJOZRYVLDRWEGT-ZIAGYGMSSA-N 1 0 261.756 2.860 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000063177247 526548210 /nfs/dbraw/zinc/54/82/10/526548210.db2.gz UBCLLRVPJLULBA-CMPLNLGQSA-N 1 0 269.270 2.869 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCC[C@H]1[NH3+] ZINC000063177253 526548754 /nfs/dbraw/zinc/54/87/54/526548754.db2.gz UBCLLRVPJLULBA-PWSUYJOCSA-N 1 0 269.270 2.869 10 30 CFEERO Cc1occc1C[N@@H+](C)Cc1ccccc1C#CCCO ZINC000049614944 526825706 /nfs/dbraw/zinc/82/57/06/526825706.db2.gz CADZDPJKYLCAKB-UHFFFAOYSA-N 1 0 283.371 2.954 10 30 CFEERO [NH3+]CC#Cc1ccc(CN2CCCc3ccccc32)cc1 ZINC000049608699 527148382 /nfs/dbraw/zinc/14/83/82/527148382.db2.gz DCPHSXUHMOHFDP-UHFFFAOYSA-N 1 0 276.383 2.950 10 30 CFEERO [NH3+]CC#Cc1ccc(COCCc2cccs2)c(F)c1 ZINC000049611180 527150095 /nfs/dbraw/zinc/15/00/95/527150095.db2.gz NXRLIOPDUOTHRJ-UHFFFAOYSA-N 1 0 289.375 2.957 10 30 CFEERO [NH3+]CC#Cc1ccccc1COc1ccccc1F ZINC000049610446 527154723 /nfs/dbraw/zinc/15/47/23/527154723.db2.gz QXQWOIGAPKTMCN-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192058496 527449196 /nfs/dbraw/zinc/44/91/96/527449196.db2.gz GCMYPYCCOXSBEM-MRXNPFEDSA-N 1 0 298.365 2.867 10 30 CFEERO OCC#Cc1ccc(C[NH+]2CCCCCCC2)c(F)c1 ZINC000049617068 527518994 /nfs/dbraw/zinc/51/89/94/527518994.db2.gz WPZIRLWKMWQGKT-UHFFFAOYSA-N 1 0 275.367 2.936 10 30 CFEERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(C#CCO)cs2)C1 ZINC000043698478 570261650 /nfs/dbraw/zinc/26/16/50/570261650.db2.gz CUMSSNUXGHVJEA-BETUJISGSA-N 1 0 263.406 2.570 10 30 CFEERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(C#CCO)cs1 ZINC000043698501 570261666 /nfs/dbraw/zinc/26/16/66/570261666.db2.gz XTKMFHVYOLBZLZ-BETUJISGSA-N 1 0 263.406 2.855 10 30 CFEERO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000246834156 617603317 /nfs/dbraw/zinc/60/33/17/617603317.db2.gz CBOGPKJNYWZAPG-FRFSOERESA-N 1 0 288.391 2.618 10 30 CFEERO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052759645 618195535 /nfs/dbraw/zinc/19/55/35/618195535.db2.gz MUYIOICPVRHGQP-MRXNPFEDSA-N 1 0 288.391 2.564 10 30 CFEERO N#Cc1sc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc1Cl ZINC000236056153 618604511 /nfs/dbraw/zinc/60/45/11/618604511.db2.gz NDRBZITUEAUHBT-JTQLQIEISA-N 1 0 296.827 2.637 10 30 CFEERO N#Cc1sc(N[C@@H]2CCCC[C@@H]2C[NH3+])nc1Cl ZINC000236242001 618613321 /nfs/dbraw/zinc/61/33/21/618613321.db2.gz AIWRLMDPKUOINL-HTQZYQBOSA-N 1 0 270.789 2.598 10 30 CFEERO C#CCCNC(N[C@H]1CC(C)(C)Oc2ccccc21)=[NH+]CC ZINC000261659899 619193185 /nfs/dbraw/zinc/19/31/85/619193185.db2.gz APXHNBDIHILSNN-HNNXBMFYSA-N 1 0 299.418 2.867 10 30 CFEERO CCc1nnc(NC[C@@H]([NH3+])c2ccccc2)c(C#N)c1CC ZINC000262324929 619836182 /nfs/dbraw/zinc/83/61/82/619836182.db2.gz RNHGPWYFQWMJKJ-OAHLLOKOSA-N 1 0 295.390 2.585 10 30 CFEERO N#Cc1ccc(N2CCC[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000041030161 620426836 /nfs/dbraw/zinc/42/68/36/620426836.db2.gz VCXNLFWBBPHEFD-JTQLQIEISA-N 1 0 269.270 2.505 10 30 CFEERO C[C@H]([NH3+])[C@H]1CCCN(c2nc3ccccc3cc2C#N)C1 ZINC000071386200 625511280 /nfs/dbraw/zinc/51/12/80/625511280.db2.gz DGQFIMCXHNTXKI-JSGCOSHPSA-N 1 0 280.375 2.670 10 30 CFEERO N#Cc1cc2ccccc2nc1N1CCC(CC[NH3+])CC1 ZINC000071386208 625510573 /nfs/dbraw/zinc/51/05/73/625510573.db2.gz MQCPKOAUQNIPIZ-UHFFFAOYSA-N 1 0 280.375 2.672 10 30 CFEERO N#Cc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C(F)(F)F ZINC000156376281 622936323 /nfs/dbraw/zinc/93/63/23/622936323.db2.gz JJLMDRYWXUOQEP-NEPJUHHUSA-N 1 0 295.308 2.908 10 30 CFEERO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000165693047 622995085 /nfs/dbraw/zinc/99/50/85/622995085.db2.gz MITVETZQAMWYQP-MRXNPFEDSA-N 1 0 256.349 2.668 10 30 CFEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000230686708 623293718 /nfs/dbraw/zinc/29/37/18/623293718.db2.gz ADTKSPXCKDRIRA-JOYOIKCWSA-N 1 0 295.180 2.937 10 30 CFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000231950226 623376985 /nfs/dbraw/zinc/37/69/85/623376985.db2.gz WMFZGMZAYFLURS-IUCAKERBSA-N 1 0 252.305 2.911 10 30 CFEERO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000101731440 625872017 /nfs/dbraw/zinc/87/20/17/625872017.db2.gz LGHHYCXNBKYXND-CYBMUJFWSA-N 1 0 268.401 2.942 10 30 CFEERO C[C@@H]([NH3+])C[C@@H](C)Nc1nc2ccccc2cc1C#N ZINC000320715917 626128866 /nfs/dbraw/zinc/12/88/66/626128866.db2.gz VCUZVEWVSONXHI-GHMZBOCLSA-N 1 0 254.337 2.644 10 30 CFEERO C=CCc1cc(OC)cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1O ZINC000111677882 635137129 /nfs/dbraw/zinc/13/71/29/635137129.db2.gz FKYMFDVDOPNCRN-STQMWFEESA-N 1 0 291.391 2.739 10 30 CFEERO C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)[C@@H](C)C[NH2+]1 ZINC000086471119 650796783 /nfs/dbraw/zinc/79/67/83/650796783.db2.gz LWJWNBKDQOYYET-UWVGGRQHSA-N 1 0 283.297 2.764 10 30 CFEERO CCCCCCC[N@@H+]1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000247036319 650895273 /nfs/dbraw/zinc/89/52/73/650895273.db2.gz PQHXVUKCIOIYPU-HOTGVXAUSA-N 1 0 270.461 2.734 10 30 CFEERO N#Cc1ccc(NC[C@H]([NH3+])C2CC2)cc1C(F)(F)F ZINC000129334316 645157918 /nfs/dbraw/zinc/15/79/18/645157918.db2.gz CBHBJYMHWWCGHB-LBPRGKRZSA-N 1 0 269.270 2.726 10 30 CFEERO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccc(Cl)s1 ZINC000304206221 651016416 /nfs/dbraw/zinc/01/64/16/651016416.db2.gz CXPQSCJNYKDSDT-DTWKUNHWSA-N 1 0 258.774 2.981 10 30 CFEERO C#CCOc1ccc(C[N@@H+]2CCS[C@H](C)C2)cc1 ZINC000131379865 645716344 /nfs/dbraw/zinc/71/63/44/645716344.db2.gz YUTUBLPQTIAWAQ-CYBMUJFWSA-N 1 0 261.390 2.636 10 30 CFEERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000300054938 647301532 /nfs/dbraw/zinc/30/15/32/647301532.db2.gz FYXICAQKHTWKLD-BFHYXJOUSA-N 1 0 293.411 2.668 10 30 CFEERO CCCCCNC(=O)[C@@H](C)[N+](C)(C)C1CCCC1 ZINC000029415650 717119402 /nfs/dbraw/zinc/11/94/02/717119402.db2.gz JGTGCTQCYPPXQV-CYBMUJFWSA-O 1 0 255.426 2.700 10 30 CFEERO CC[N+](CC)(CCOCCC#N)Cc1ccccc1 ZINC000005955400 717102839 /nfs/dbraw/zinc/10/28/39/717102839.db2.gz SHZPDWSGLPPVSH-UHFFFAOYSA-N 1 0 261.389 2.973 10 30 CFEERO CN(CC(C)(C)[NH3+])c1ccc(C#N)c(C(F)(F)F)c1 ZINC000594693037 349474965 /nfs/dbraw/zinc/47/49/65/349474965.db2.gz IZFHVDWLNLJGGH-UHFFFAOYSA-N 1 0 271.286 2.751 10 30 CFEERO C=CCCSCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000595061259 349571141 /nfs/dbraw/zinc/57/11/41/349571141.db2.gz ZMRAIRCWKOOUJY-JHJVBQTASA-N 1 0 255.427 2.699 10 30 CFEERO C[C@@H]([NH3+])C1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000110651396 136465255 /nfs/dbraw/zinc/46/52/55/136465255.db2.gz ZSMFPADJUIQHBS-SNVBAGLBSA-N 1 0 263.772 2.775 10 30 CFEERO CCc1ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000123182852 347818465 /nfs/dbraw/zinc/81/84/65/347818465.db2.gz MGJRUMXDNBWJKN-SCLBCKFNSA-N 1 0 299.418 2.708 10 30 CFEERO C[NH+](C)/C=C/c1cc(Br)ccc1C#N ZINC000116940074 347789512 /nfs/dbraw/zinc/78/95/12/347789512.db2.gz FXCNOOVTMVPOMA-AATRIKPKSA-N 1 0 251.127 2.853 10 30 CFEERO CC#CC[C@H]([NH2+]C)c1ccc(Br)cn1 ZINC000133151202 347889781 /nfs/dbraw/zinc/88/97/81/347889781.db2.gz RRAUSZRFTOYCMV-JTQLQIEISA-N 1 0 253.143 2.518 10 30 CFEERO C#CC[C@H]([NH2+]C)c1ccc(F)c(Br)c1 ZINC000169238532 348050208 /nfs/dbraw/zinc/05/02/08/348050208.db2.gz FNXJTMABQYXGEF-NSHDSACASA-N 1 0 256.118 2.872 10 30 CFEERO CCC[C@H]([NH3+])C#Cc1cscc1Br ZINC000229905170 348203815 /nfs/dbraw/zinc/20/38/15/348203815.db2.gz SJUMEYWILHZZRG-VIFPVBQESA-N 1 0 258.184 2.990 10 30 CFEERO C=CCCC[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000246012219 348260298 /nfs/dbraw/zinc/26/02/98/348260298.db2.gz YPOBUDUCWLUXMV-CABCVRRESA-N 1 0 281.444 2.857 10 30 CFEERO C#C[C@@H]([NH3+])c1cc(Cl)ccc1I ZINC000236301543 348233066 /nfs/dbraw/zinc/23/30/66/348233066.db2.gz ZVLIBODMSWSCDV-SECBINFHSA-N 1 0 291.519 2.578 10 30 CFEERO CC[C@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251555354 348292569 /nfs/dbraw/zinc/29/25/69/348292569.db2.gz BHGRSKWFDNNCFO-IINYFYTJSA-N 1 0 263.772 2.775 10 30 CFEERO N#CCC1(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000253089581 348299045 /nfs/dbraw/zinc/29/90/45/348299045.db2.gz GZPFDEDRKKSLNY-KFWWJZLASA-N 1 0 262.397 2.696 10 30 CFEERO N#CCC1(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000253089584 348299579 /nfs/dbraw/zinc/29/95/79/348299579.db2.gz GZPFDEDRKKSLNY-RBSFLKMASA-N 1 0 262.397 2.696 10 30 CFEERO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCC[C@H](O)C1 ZINC000311705595 348414627 /nfs/dbraw/zinc/41/46/27/348414627.db2.gz VBGYELSYXAXOCT-CVEARBPZSA-N 1 0 258.365 2.541 10 30 CFEERO C=C(C)[C@H]([NH3+])c1sccc1I ZINC000307417392 348399205 /nfs/dbraw/zinc/39/92/05/348399205.db2.gz OLPGCACRPBQYQI-ZETCQYMHSA-N 1 0 279.146 2.929 10 30 CFEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(C#N)cc1Br ZINC000320856591 348437630 /nfs/dbraw/zinc/43/76/30/348437630.db2.gz MPXZZOVLLAZBOC-RKDXNWHRSA-N 1 0 282.185 2.858 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1NCCC1(C[NH3+])CC1 ZINC000404617501 348593282 /nfs/dbraw/zinc/59/32/82/348593282.db2.gz UPOCCTCUZHXSLJ-UHFFFAOYSA-N 1 0 284.285 2.513 10 30 CFEERO Cc1ccc(S(=O)(=O)O[C@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC000584601543 348685771 /nfs/dbraw/zinc/68/57/71/348685771.db2.gz XGIDNKYKUHPTQG-CABCVRRESA-N 1 0 297.420 2.573 10 30 CFEERO C[NH+](C)CCC/N=C/c1cc(Br)ccc1O ZINC000584621928 348692768 /nfs/dbraw/zinc/69/27/68/348692768.db2.gz ZATPOXMBPROHKV-NTEUORMPSA-N 1 0 285.185 2.525 10 30 CFEERO COc1ccnc([C@H](CCO)[C@@H](C#N)c2ccccc2)c1 ZINC000584629554 348695345 /nfs/dbraw/zinc/69/53/45/348695345.db2.gz YNKSABTXYBJFGL-CVEARBPZSA-N 1 0 282.343 2.864 10 30 CFEERO C[C@H]1C[C@@H]([NH+](C)C)CN(c2ccc(C#N)c3ncccc23)C1 ZINC000584640596 348699450 /nfs/dbraw/zinc/69/94/50/348699450.db2.gz GARXROVFNAHNAJ-DZGCQCFKSA-N 1 0 294.402 2.883 10 30 CFEERO CC1([NH3+])CCN(c2ccc(C#N)cc2Br)CC1 ZINC000591435384 349021189 /nfs/dbraw/zinc/02/11/89/349021189.db2.gz QCLCZXLRPKKKLY-UHFFFAOYSA-N 1 0 294.196 2.638 10 30 CFEERO CCC(CC)[C@H](C)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000104434662 186001594 /nfs/dbraw/zinc/00/15/94/186001594.db2.gz RRNKJXHXQLMIOH-NSHDSACASA-N 1 0 278.421 2.613 10 30 CFEERO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1C#N ZINC000599295508 350408056 /nfs/dbraw/zinc/40/80/56/350408056.db2.gz NYTGMEQDHMZUOL-PBHICJAKSA-N 1 0 269.392 2.535 10 30 CFEERO N#Cc1cc(Cl)ccc1N1CCCCC[C@@H]([NH3+])C1 ZINC000600959214 350637381 /nfs/dbraw/zinc/63/73/81/350637381.db2.gz UCDNTNNTLOWMFH-CYBMUJFWSA-N 1 0 263.772 2.919 10 30 CFEERO C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000600961335 350637827 /nfs/dbraw/zinc/63/78/27/350637827.db2.gz PYTZOTSTRQHTFG-GXSJLCMTSA-N 1 0 283.297 2.608 10 30 CFEERO N#Cc1cc(F)ccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000111027546 186345551 /nfs/dbraw/zinc/34/55/51/186345551.db2.gz LJAMZZGHWZSVGU-OAHLLOKOSA-N 1 0 273.355 2.666 10 30 CFEERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC000123075945 187070135 /nfs/dbraw/zinc/07/01/35/187070135.db2.gz XEGOIOCFGZCCCS-CYBMUJFWSA-N 1 0 286.404 2.962 10 30 CFEERO Cc1cc(NCCC2CC[NH+](C)CC2)c(C#N)c(C)n1 ZINC000123694535 187105086 /nfs/dbraw/zinc/10/50/86/187105086.db2.gz DNKTZBJZNPFLKH-UHFFFAOYSA-N 1 0 272.396 2.714 10 30 CFEERO N#Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616632565 352392937 /nfs/dbraw/zinc/39/29/37/352392937.db2.gz QZEBPIWEVGKIPJ-SFHVURJKSA-N 1 0 277.371 2.705 10 30 CFEERO N#Cc1cccc([C@@H]2Cc3ccccc3N(CC[NH3+])C2)c1 ZINC000616674099 352407621 /nfs/dbraw/zinc/40/76/21/352407621.db2.gz XIGVPEJFKKUCIK-QGZVFWFLSA-N 1 0 277.371 2.663 10 30 CFEERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000154542425 188148564 /nfs/dbraw/zinc/14/85/64/188148564.db2.gz WMMGPNXQVNMUIM-GOSISDBHSA-N 1 0 297.377 2.847 10 30 CFEERO N#Cc1cc(Cl)ccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228551639 283095048 /nfs/dbraw/zinc/09/50/48/283095048.db2.gz VTHZUDRQFTXOGH-ZLKJLUDKSA-N 1 0 275.783 2.775 10 30 CFEERO N#Cc1ccc(Cl)cc1N1CCC[C@H](CC[NH3+])C1 ZINC000070171246 283149721 /nfs/dbraw/zinc/14/97/21/283149721.db2.gz UJSLNOAESVNAIJ-LLVKDONJSA-N 1 0 263.772 2.777 10 30 CFEERO N#Cc1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)cc1C(F)(F)F ZINC000261597623 283166314 /nfs/dbraw/zinc/16/63/14/283166314.db2.gz ARJOEAIGQKJHLK-CQSZACIVSA-N 1 0 295.308 2.767 10 30 CFEERO C=CCCC[C@H](C[NH2+]C1CC1)NC(=O)OC(C)(C)C ZINC000675051096 540631697 /nfs/dbraw/zinc/63/16/97/540631697.db2.gz LHTGKZHHVZZQFE-CYBMUJFWSA-N 1 0 268.401 2.988 10 30 CFEERO C[C@H]1[C@@H]([NH3+])CCN1c1ccc(C(F)(F)F)cc1C#N ZINC000261624353 291282231 /nfs/dbraw/zinc/28/22/31/291282231.db2.gz VDGYQCBYMDBHFM-KWQFWETISA-N 1 0 269.270 2.503 10 30 CFEERO C=CC[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000189094917 189522412 /nfs/dbraw/zinc/52/24/12/189522412.db2.gz SCGFJJCEDKCMID-HZPDHXFCSA-N 1 0 272.392 2.509 10 30 CFEERO Cc1cc(NCC(C)(C)C[NH+](C)C)c(C#N)c(C)n1 ZINC000211670839 189688008 /nfs/dbraw/zinc/68/80/08/189688008.db2.gz IAOPQWPGUNOIBL-UHFFFAOYSA-N 1 0 260.385 2.570 10 30 CFEERO O=C(C[n+]1ccncc1)c1ccc(-c2ccccc2)cc1 ZINC000001667620 371693127 /nfs/dbraw/zinc/69/31/27/371693127.db2.gz VRKNHLDMSARVGU-UHFFFAOYSA-N 1 0 275.331 2.919 10 30 CFEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000037978086 372746398 /nfs/dbraw/zinc/74/63/98/372746398.db2.gz GDXXGUUOHNSLPH-CHWSQXEVSA-N 1 0 260.381 2.590 10 30 CFEERO C#CCOc1ccc(C[NH2+]CCCOCCCC)cc1 ZINC000045945945 373037895 /nfs/dbraw/zinc/03/78/95/373037895.db2.gz GKNXZDVAHMNRBU-UHFFFAOYSA-N 1 0 275.392 2.995 10 30 CFEERO C#CCOc1ccc(Cl)cc1C[NH2+]CCCOCC ZINC000045945717 373039261 /nfs/dbraw/zinc/03/92/61/373039261.db2.gz XJVMRPBZXAPZLT-UHFFFAOYSA-N 1 0 281.783 2.868 10 30 CFEERO C[C@H]([NH3+])C1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000068771207 374038428 /nfs/dbraw/zinc/03/84/28/374038428.db2.gz FVVQMDNVTYIXGL-LBPRGKRZSA-N 1 0 280.375 2.670 10 30 CFEERO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732895 374942694 /nfs/dbraw/zinc/94/26/94/374942694.db2.gz RIXKPTPTTAJELU-HUUCEWRRSA-N 1 0 274.412 2.780 10 30 CFEERO N#Cc1ccccc1OCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114201806 376052047 /nfs/dbraw/zinc/05/20/47/376052047.db2.gz PJPSIRBMTOXRDU-INIZCTEOSA-N 1 0 296.374 2.887 10 30 CFEERO C=CCOc1cccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000121306964 376802099 /nfs/dbraw/zinc/80/20/99/376802099.db2.gz OEJJDXXPCSSUIB-QGZVFWFLSA-N 1 0 286.419 2.922 10 30 CFEERO C[C@@H](Nc1c(F)cc(C#N)cc1F)[C@H]1CCC[NH2+]C1 ZINC000133670540 377948772 /nfs/dbraw/zinc/94/87/72/377948772.db2.gz UHJLBDNDNPYHLR-KOLCDFICSA-N 1 0 265.307 2.636 10 30 CFEERO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(C)o2)CC1 ZINC000171701534 379377846 /nfs/dbraw/zinc/37/78/46/379377846.db2.gz IXTCJGMALPMXBY-CYBMUJFWSA-N 1 0 291.395 2.599 10 30 CFEERO C[C@@H](COCc1ccccc1)[NH2+]Cc1ccc(C#N)o1 ZINC000174619747 379919600 /nfs/dbraw/zinc/91/96/00/379919600.db2.gz PDTDXEHYELKGIH-ZDUSSCGKSA-N 1 0 270.332 2.846 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(F)cc1C#N ZINC000175360548 380050045 /nfs/dbraw/zinc/05/00/45/380050045.db2.gz IAMMNKOLYWHZKC-MRXNPFEDSA-N 1 0 275.371 2.613 10 30 CFEERO C#Cc1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000176285435 380208602 /nfs/dbraw/zinc/20/86/02/380208602.db2.gz BWGHEKCOQSQZQQ-MRXNPFEDSA-N 1 0 285.391 2.616 10 30 CFEERO C[C@H](CCC[NH3+])Nc1ccc(Br)cc1C#N ZINC000336671190 380587675 /nfs/dbraw/zinc/58/76/75/380587675.db2.gz SBXZBHHNPUWVJG-SECBINFHSA-N 1 0 282.185 2.860 10 30 CFEERO CC[N@H+](C)[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000302764481 382313629 /nfs/dbraw/zinc/31/36/29/382313629.db2.gz LDKFFILSNOCRBN-LLVKDONJSA-N 1 0 298.312 2.502 10 30 CFEERO OCC#Cc1csc(C[NH+]2CCCCCCC2)c1 ZINC000043698522 184560414 /nfs/dbraw/zinc/56/04/14/184560414.db2.gz OTTFSIBNRSGRMZ-UHFFFAOYSA-N 1 0 263.406 2.858 10 30 CFEERO C=CCCCCC[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000193338474 382718945 /nfs/dbraw/zinc/71/89/45/382718945.db2.gz NOUVOJNDUMRCKE-KRWDZBQOSA-N 1 0 291.439 2.947 10 30 CFEERO Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000193636907 382721783 /nfs/dbraw/zinc/72/17/83/382721783.db2.gz NRPIWVPIKMSISW-GFCCVEGCSA-N 1 0 283.331 2.749 10 30 CFEERO N#Cc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000227360956 382836783 /nfs/dbraw/zinc/83/67/83/382836783.db2.gz FCNANJVGYKBAPO-DLBZAZTESA-N 1 0 270.376 2.685 10 30 CFEERO C=CCOc1cccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000245784955 383036102 /nfs/dbraw/zinc/03/61/02/383036102.db2.gz VAIISAWEKRAYNF-WBVHZDCISA-N 1 0 286.419 2.920 10 30 CFEERO C=CCCC(C)(C)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000638874234 385006991 /nfs/dbraw/zinc/00/69/91/385006991.db2.gz GOIXHVBNJCQINA-CYBMUJFWSA-N 1 0 252.402 2.627 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1NCC[C@H]1CCC[NH2+]C1 ZINC000094337442 184783111 /nfs/dbraw/zinc/78/31/11/184783111.db2.gz CIOHGDVZCCKCJF-SNVBAGLBSA-N 1 0 298.312 2.774 10 30 CFEERO Cc1nc(C[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)no1 ZINC000191991328 130344790 /nfs/dbraw/zinc/34/47/90/130344790.db2.gz XTYKZFZUASOLQO-KRWDZBQOSA-N 1 0 295.386 2.684 10 30 CFEERO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000183018847 393515053 /nfs/dbraw/zinc/51/50/53/393515053.db2.gz NJZHHZVABFREMP-JTQLQIEISA-N 1 0 299.827 2.814 10 30 CFEERO C[C@H](c1cccc(C#N)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000187663500 393556220 /nfs/dbraw/zinc/55/62/20/393556220.db2.gz HLAGHGOMJMFCHQ-RHSMWYFYSA-N 1 0 269.392 2.789 10 30 CFEERO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000193182279 393644477 /nfs/dbraw/zinc/64/44/77/393644477.db2.gz LISIXISBNYARLY-GFCCVEGCSA-N 1 0 291.420 2.741 10 30 CFEERO C=CCN(Cc1cccs1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237903563 393795527 /nfs/dbraw/zinc/79/55/27/393795527.db2.gz QRJSVAHHAYUIKY-OLZOCXBDSA-N 1 0 278.421 2.780 10 30 CFEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246490503 393870941 /nfs/dbraw/zinc/87/09/41/393870941.db2.gz ZKOWDYMGMYKIIT-CZUORRHYSA-N 1 0 280.375 2.842 10 30 CFEERO N#CCCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121450079 393955869 /nfs/dbraw/zinc/95/58/69/393955869.db2.gz IWWFENUMBPIZSD-SWLSCSKDSA-N 1 0 280.318 2.766 10 30 CFEERO CCc1nccn1[C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000173888046 394376945 /nfs/dbraw/zinc/37/69/45/394376945.db2.gz MQIGAJUHKRPVPG-CQSZACIVSA-N 1 0 292.452 2.729 10 30 CFEERO N#Cc1ccnc(N2CCC([NH2+]CC3CC3)CC2)c1Cl ZINC000236028962 135073103 /nfs/dbraw/zinc/07/31/03/135073103.db2.gz XMOJUOHFMHJXJQ-UHFFFAOYSA-N 1 0 290.798 2.575 10 30 CFEERO C[NH+](C)C[C@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000007817355 170304264 /nfs/dbraw/zinc/30/42/64/170304264.db2.gz IDJMKXWHZWUEGA-KRWDZBQOSA-N 1 0 293.370 2.591 10 30 CFEERO N#Cc1cccc(C[NH2+]CCCOCc2ccco2)c1 ZINC000020147000 171033767 /nfs/dbraw/zinc/03/37/67/171033767.db2.gz XYDTYUROWVCBMY-UHFFFAOYSA-N 1 0 270.332 2.848 10 30 CFEERO C[C@H](C#N)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022803499 171399485 /nfs/dbraw/zinc/39/94/85/171399485.db2.gz WDQMLTKMQROZMH-OAHLLOKOSA-N 1 0 279.387 2.869 10 30 CFEERO C#CC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000037184852 173016472 /nfs/dbraw/zinc/01/64/72/173016472.db2.gz DEMRVYMWCIPVNG-SECBINFHSA-N 1 0 285.128 2.575 10 30 CFEERO C#CC[NH+]1CCC(Nc2ccc(F)c(Cl)c2)CC1 ZINC000037244411 173059706 /nfs/dbraw/zinc/05/97/06/173059706.db2.gz PDOJXPUHOQIFQD-UHFFFAOYSA-N 1 0 266.747 2.989 10 30 CFEERO C=C(Cl)C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000037488790 173230942 /nfs/dbraw/zinc/23/09/42/173230942.db2.gz VUYUSWFRBVRNKP-UHFFFAOYSA-N 1 0 255.745 2.588 10 30 CFEERO C[C@H](C[NH2+]Cc1ccc(OCC#N)cc1)N1CCCCC1 ZINC000038028961 174018800 /nfs/dbraw/zinc/01/88/00/174018800.db2.gz OCPLIIKWLACFGG-OAHLLOKOSA-N 1 0 287.407 2.553 10 30 CFEERO C[NH2+]Cc1cc(-c2cccc(C#N)c2)ccc1OC ZINC000038070607 174081347 /nfs/dbraw/zinc/08/13/47/174081347.db2.gz JWEZFNPDPQPJOT-UHFFFAOYSA-N 1 0 252.317 2.953 10 30 CFEERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000038097545 174111206 /nfs/dbraw/zinc/11/12/06/174111206.db2.gz SODNCYPZDUXABT-DOMZBBRYSA-N 1 0 270.332 2.844 10 30 CFEERO N#Cc1c(NC(=O)C[NH2+]C2CCCC2)sc2c1CCC2 ZINC000040415478 174255754 /nfs/dbraw/zinc/25/57/54/174255754.db2.gz IEBXNHRQUNTOCI-UHFFFAOYSA-N 1 0 289.404 2.579 10 30 CFEERO C=C(Br)C[NH2+]Cc1ccccc1-n1cccn1 ZINC000040495618 174294258 /nfs/dbraw/zinc/29/42/58/174294258.db2.gz WZQBEPHQTQBVED-UHFFFAOYSA-N 1 0 292.180 2.871 10 30 CFEERO C=CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000040740314 174390589 /nfs/dbraw/zinc/39/05/89/174390589.db2.gz MJEHIIYLUUHQSB-YHWZYXNKSA-N 1 0 266.385 2.693 10 30 CFEERO CCN(Cc1cc(C#N)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748105 174393316 /nfs/dbraw/zinc/39/33/16/174393316.db2.gz OKGDIUPHIREJGK-XYPWUTKMSA-N 1 0 287.382 2.802 10 30 CFEERO C[C@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)c1ccccn1 ZINC000043343825 175016292 /nfs/dbraw/zinc/01/62/92/175016292.db2.gz XHRGKTNULUHAAA-ZUZCIYMTSA-N 1 0 271.295 2.560 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)c1cccnc1 ZINC000043349726 175019164 /nfs/dbraw/zinc/01/91/64/175019164.db2.gz XOEUKZGUPPIMHX-HZPDHXFCSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1OC)C(F)(F)F ZINC000043383408 175031297 /nfs/dbraw/zinc/03/12/97/175031297.db2.gz KAYDNQNNYMGKIH-BXKDBHETSA-N 1 0 288.269 2.614 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1OCc1cc(F)ccc1F ZINC000043459912 175050718 /nfs/dbraw/zinc/05/07/18/175050718.db2.gz SDYNKRPGECYOMC-UHFFFAOYSA-N 1 0 291.272 2.993 10 30 CFEERO CCN(C(=O)c1ccc(C#CC[NH3+])c(F)c1)C1CCCC1 ZINC000043582854 175070018 /nfs/dbraw/zinc/07/00/18/175070018.db2.gz TWJQFAWITMGDRA-UHFFFAOYSA-N 1 0 288.366 2.541 10 30 CFEERO CCCCC[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043583081 175070570 /nfs/dbraw/zinc/07/05/70/175070570.db2.gz ZYORXURURJXAFD-CYBMUJFWSA-N 1 0 290.382 2.835 10 30 CFEERO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000043588619 175072908 /nfs/dbraw/zinc/07/29/08/175072908.db2.gz VWSNRKGSPCVLKZ-DZGCQCFKSA-N 1 0 285.391 2.515 10 30 CFEERO Cc1c(F)cc(C#N)cc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000043588798 175072984 /nfs/dbraw/zinc/07/29/84/175072984.db2.gz IEUVWBVHKDSHOU-LBPRGKRZSA-N 1 0 289.354 2.724 10 30 CFEERO C[N@H+](Cc1ccc(C#CCO)s1)Cc1cccc(F)c1 ZINC000043679317 175089471 /nfs/dbraw/zinc/08/94/71/175089471.db2.gz LYDUZDMVCSUBRA-UHFFFAOYSA-N 1 0 289.375 2.863 10 30 CFEERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2sccc2C#CCCO)C1 ZINC000043679195 175089490 /nfs/dbraw/zinc/08/94/90/175089490.db2.gz XWXRWJMNPVWPAS-OKILXGFUSA-N 1 0 277.433 2.960 10 30 CFEERO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C#CCO)s2)C1 ZINC000043679187 175089601 /nfs/dbraw/zinc/08/96/01/175089601.db2.gz FGXZXDIEUHIQDB-STQMWFEESA-N 1 0 263.406 2.570 10 30 CFEERO CC[N@@H+](Cc1ccc(C#CCO)s1)CC(C)C ZINC000043679362 175089746 /nfs/dbraw/zinc/08/97/46/175089746.db2.gz XIFAWFBAULCGOL-UHFFFAOYSA-N 1 0 251.395 2.570 10 30 CFEERO CC(C)C[C@H](C)[N@H+](C)Cc1sccc1C#CCO ZINC000043681976 175091089 /nfs/dbraw/zinc/09/10/89/175091089.db2.gz DJGJTVHTTJVDCR-ZDUSSCGKSA-N 1 0 265.422 2.958 10 30 CFEERO Cc1ccccc1OCc1cc(C#CC[NH3+])cs1 ZINC000043689257 175096173 /nfs/dbraw/zinc/09/61/73/175096173.db2.gz DGXUKJOHZUJMCM-UHFFFAOYSA-N 1 0 257.358 2.946 10 30 CFEERO CCCN(Cc1cc(C#CC[NH3+])cs1)CC(F)(F)F ZINC000043689135 175096230 /nfs/dbraw/zinc/09/62/30/175096230.db2.gz IQJXGLIZDHYCNJ-UHFFFAOYSA-N 1 0 290.354 2.833 10 30 CFEERO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000044676714 175227394 /nfs/dbraw/zinc/22/73/94/175227394.db2.gz VQUXTWBGNNBZMB-SQNIBIBYSA-N 1 0 278.355 2.737 10 30 CFEERO N#Cc1cc(NCC[C@@H]2CC[NH2+]C2)nc2ccccc12 ZINC000068771225 175814783 /nfs/dbraw/zinc/81/47/83/175814783.db2.gz IIMABCVKTFRDRM-LBPRGKRZSA-N 1 0 266.348 2.518 10 30 CFEERO CC[C@@H](CC[NH3+])CCC(=O)Nc1cccc(F)c1C#N ZINC000079208185 177446561 /nfs/dbraw/zinc/44/65/61/177446561.db2.gz AYRGESIDRVYEGF-LLVKDONJSA-N 1 0 277.343 2.791 10 30 CFEERO C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000188480353 262299124 /nfs/dbraw/zinc/29/91/24/262299124.db2.gz DKPMJTHYXMSMPP-HIFRSBDPSA-N 1 0 252.402 2.531 10 30 CFEERO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000061891427 262405714 /nfs/dbraw/zinc/40/57/14/262405714.db2.gz STLODHISJGSJCT-XNRPHZJLSA-N 1 0 258.365 2.995 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@]1(C)c1ccccc1OC)NC(C)(C)C ZINC000262781708 262787419 /nfs/dbraw/zinc/78/74/19/262787419.db2.gz LDPRPSKBJBZIAL-RHSMWYFYSA-N 1 0 289.423 2.689 10 30 CFEERO CC[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)NC1CCOCC1 ZINC000127902742 264275646 /nfs/dbraw/zinc/27/56/46/264275646.db2.gz ODDQXMRWEAZOQP-JKSUJKDBSA-N 1 0 293.455 2.689 10 30 CFEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1c(C#N)cnc2ccccc21 ZINC000229599361 274630866 /nfs/dbraw/zinc/63/08/66/274630866.db2.gz BXJJDTQSZDPCIN-RISCZKNCSA-N 1 0 266.348 2.659 10 30 CFEERO CC1(C)CN(c2cc(Cl)ccc2C#N)CC[C@@H]1[NH3+] ZINC000261553374 278342257 /nfs/dbraw/zinc/34/22/57/278342257.db2.gz AFOIWDCCDFOHES-ZDUSSCGKSA-N 1 0 263.772 2.775 10 30 CFEERO C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[C@H]1[NH3+] ZINC000251615099 279881056 /nfs/dbraw/zinc/88/10/56/279881056.db2.gz DQHZZAGHPNLZBG-TVQRCGJNSA-N 1 0 283.297 2.751 10 30 CFEERO C=CCNC(=O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000183129394 327758059 /nfs/dbraw/zinc/75/80/59/327758059.db2.gz AOLIXRJMAMYVLD-INIZCTEOSA-N 1 0 272.392 2.592 10 30 CFEERO CC[NH2+]CCCNc1ccc(C#N)cc1Br ZINC000169222298 322390580 /nfs/dbraw/zinc/39/05/80/322390580.db2.gz CHJSQTULBBFGCC-UHFFFAOYSA-N 1 0 282.185 2.732 10 30 CFEERO CC[NH2+][C@H](C)CNc1ccc(C#N)cc1Br ZINC000387447828 324491816 /nfs/dbraw/zinc/49/18/16/324491816.db2.gz MCRAKDMSMVVGOS-SECBINFHSA-N 1 0 282.185 2.731 10 30 CFEERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000389721299 324520345 /nfs/dbraw/zinc/52/03/45/324520345.db2.gz GDGCFFBIKBMGAF-ZANVPECISA-N 1 0 283.297 2.987 10 30 CFEERO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)CC2 ZINC000129548470 327156344 /nfs/dbraw/zinc/15/63/44/327156344.db2.gz AWZAZZVSLJYBJP-UNEWFSDZSA-N 1 0 270.376 2.834 10 30 CFEERO CCc1nccn1[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000105897830 327242924 /nfs/dbraw/zinc/24/29/24/327242924.db2.gz KNCXBAHCCFDFDD-AWEZNQCLSA-N 1 0 260.385 2.776 10 30 CFEERO C=CCN(Cc1cccs1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261935192 329989784 /nfs/dbraw/zinc/98/97/84/329989784.db2.gz CIDGITBVZRJFHS-TZMCWYRMSA-N 1 0 278.421 2.638 10 30 CFEERO CC(C)Oc1ccc(NC(=[NH2+])N[C@@H]2CC2(C)C)cc1 ZINC000262001087 329996493 /nfs/dbraw/zinc/99/64/93/329996493.db2.gz PTPMOGKTKBMJFT-CYBMUJFWSA-N 1 0 261.369 2.999 10 30 CFEERO C[C@@H]1C[C@@H]1NC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000262231532 330002155 /nfs/dbraw/zinc/00/21/55/330002155.db2.gz ABRHXEJDOIGWGO-XCBNKYQSSA-N 1 0 273.258 2.720 10 30 CFEERO CC(C)CNC(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262534221 330019911 /nfs/dbraw/zinc/01/99/11/330019911.db2.gz OWZPJDKCXBMPTC-JOYOIKCWSA-N 1 0 283.778 2.895 10 30 CFEERO C[NH+]=C(N[C@@H]1CC1(C)C)N(C)Cc1ccccc1OC ZINC000262606479 330022784 /nfs/dbraw/zinc/02/27/84/330022784.db2.gz ZUDIDBLFSQQDRM-CQSZACIVSA-N 1 0 275.396 2.501 10 30 CFEERO C[NH+]=C(NC1CC1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262785942 330031320 /nfs/dbraw/zinc/03/13/20/330031320.db2.gz JQPDQSBOLGTLNW-YPFXGUDJSA-N 1 0 279.334 2.538 10 30 CFEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1C[C@@]1(C)C(C)C ZINC000263188248 330048073 /nfs/dbraw/zinc/04/80/73/330048073.db2.gz VFQPOIQKIWIMPX-ZBFHGGJFSA-N 1 0 275.396 2.994 10 30 CFEERO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)cc1OC ZINC000250968324 334354120 /nfs/dbraw/zinc/35/41/20/334354120.db2.gz DAVOCTOUZXQCEK-QEJZJMRPSA-N 1 0 288.391 2.917 10 30 CFEERO C#C[C@H](CC)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400331736 332707186 /nfs/dbraw/zinc/70/71/86/332707186.db2.gz DAIBDHZYMFDQDS-MGPQQGTHSA-N 1 0 280.412 2.633 10 30 CFEERO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000185591456 333144364 /nfs/dbraw/zinc/14/43/64/333144364.db2.gz MXCJOGOLYRIUPQ-HOTGVXAUSA-N 1 0 296.455 2.548 10 30 CFEERO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000185591437 333144407 /nfs/dbraw/zinc/14/44/07/333144407.db2.gz MXCJOGOLYRIUPQ-JKSUJKDBSA-N 1 0 296.455 2.548 10 30 CFEERO C=CCCCCC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000193336211 333248360 /nfs/dbraw/zinc/24/83/60/333248360.db2.gz MGXBJYLUYRKRAT-CVEARBPZSA-N 1 0 268.445 2.510 10 30 CFEERO CC(C)[C@H](C)[N@H+](C)Cc1ccc(F)cc1C#CCO ZINC000049618599 519811915 /nfs/dbraw/zinc/81/19/15/519811915.db2.gz XGOREWBNTSGJEZ-ZDUSSCGKSA-N 1 0 263.356 2.646 10 30 CFEERO CC[NH2+]CCOc1ccc(C#N)c(C(F)(F)F)c1 ZINC000051868884 519925191 /nfs/dbraw/zinc/92/51/91/519925191.db2.gz JHBIOGJOBIEJGV-UHFFFAOYSA-N 1 0 258.243 2.565 10 30 CFEERO CC[N@@H+](Cc1ccc(F)cc1C#CCCO)CC1CC1 ZINC000069239033 521314396 /nfs/dbraw/zinc/31/43/96/521314396.db2.gz SYMJMJFTPITHHW-UHFFFAOYSA-N 1 0 275.367 2.792 10 30 CFEERO CCC[N@H+](CC)Cc1ccc(C#CCCO)cc1F ZINC000049617318 521613541 /nfs/dbraw/zinc/61/35/41/521613541.db2.gz WISANUDHHYKORJ-UHFFFAOYSA-N 1 0 263.356 2.792 10 30 CFEERO CC[C@@H](C)[N@H+](CC)Cc1cc(C#CCO)ccc1OC ZINC000049617598 522084454 /nfs/dbraw/zinc/08/44/54/522084454.db2.gz YFGMYJYYUIUDRP-CQSZACIVSA-N 1 0 275.392 2.659 10 30 CFEERO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1C[C@H]1C ZINC000052273744 518321090 /nfs/dbraw/zinc/32/10/90/518321090.db2.gz GSNZZJKLBIKMGZ-MFKMUULPSA-N 1 0 294.192 2.959 10 30 CFEERO C#CC[C@H](Cc1ccc(Br)cc1)[NH2+]CC ZINC000051074770 518338752 /nfs/dbraw/zinc/33/87/52/518338752.db2.gz SBSFUCFKCKTKKD-CYBMUJFWSA-N 1 0 266.182 2.993 10 30 CFEERO C#CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C ZINC000051074766 518338939 /nfs/dbraw/zinc/33/89/39/518338939.db2.gz FTVHHNWNQZCWDS-LBPRGKRZSA-N 1 0 252.155 2.603 10 30 CFEERO C#CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC ZINC000051075009 518339721 /nfs/dbraw/zinc/33/97/21/518339721.db2.gz DEQYGJZHNWIKFA-CQSZACIVSA-N 1 0 261.365 2.638 10 30 CFEERO C(\C[NH2+]Cc1ccccc1)=N/OCc1ccccc1 ZINC000021987595 518404962 /nfs/dbraw/zinc/40/49/62/518404962.db2.gz KJXIKQQBGKSUMV-LDADJPATSA-N 1 0 254.333 2.979 10 30 CFEERO CC(C)(C)[NH2+]Cc1nccn1Cc1cc(C#N)ccc1F ZINC000051015508 518768842 /nfs/dbraw/zinc/76/88/42/518768842.db2.gz XGIICIDHDIVILR-UHFFFAOYSA-N 1 0 286.354 2.830 10 30 CFEERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC000049555979 519342292 /nfs/dbraw/zinc/34/22/92/519342292.db2.gz XHZWIEXQMOFNHK-OAHLLOKOSA-N 1 0 277.387 2.763 10 30 CFEERO CCCCCC(=O)N[C@@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586711 519932038 /nfs/dbraw/zinc/93/20/38/519932038.db2.gz DSXIXYXPOPZHIP-AWEZNQCLSA-N 1 0 272.392 2.754 10 30 CFEERO CCCCC[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000049105973 520286987 /nfs/dbraw/zinc/28/69/87/520286987.db2.gz YQQKRSDJCMNUHG-GFCCVEGCSA-N 1 0 278.421 2.757 10 30 CFEERO CCC[C@@H](C)[N@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049613219 520646602 /nfs/dbraw/zinc/64/66/02/520646602.db2.gz BWNNZWZHYIMQPJ-CYBMUJFWSA-N 1 0 263.356 2.790 10 30 CFEERO CCC([NH3+])(CC)CNc1ncc(Br)cc1C#N ZINC000261545986 521650444 /nfs/dbraw/zinc/65/04/44/521650444.db2.gz GOQILDGZEPSFGQ-UHFFFAOYSA-N 1 0 297.200 2.645 10 30 CFEERO C[N@H+](CCCN[C@@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000054825721 522771825 /nfs/dbraw/zinc/77/18/25/522771825.db2.gz AXYWQUUMVNHORK-GDBMZVCRSA-N 1 0 263.429 2.923 10 30 CFEERO CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1C#CC[NH3+] ZINC000049124751 523197298 /nfs/dbraw/zinc/19/72/98/523197298.db2.gz CAVDVQKHPMCLOH-PBHICJAKSA-N 1 0 284.403 2.695 10 30 CFEERO CN(Cc1ccc(C#CC[NH3+])cc1)C(=O)C1CCCCC1 ZINC000049586595 523203469 /nfs/dbraw/zinc/20/34/69/523203469.db2.gz MMRLDXFUOGOFAV-UHFFFAOYSA-N 1 0 284.403 2.536 10 30 CFEERO CC[C@@H]1CCC[N@@H+]1Cc1ccc(C#CCCO)cc1 ZINC000049615110 523270300 /nfs/dbraw/zinc/27/03/00/523270300.db2.gz DWLZHPUCXWRDCK-QGZVFWFLSA-N 1 0 257.377 2.795 10 30 CFEERO C[N@H+](Cc1ccsc1)Cc1ccccc1C#CCO ZINC000049618154 523487791 /nfs/dbraw/zinc/48/77/91/523487791.db2.gz IBIJIYOTRUJGQQ-UHFFFAOYSA-N 1 0 271.385 2.724 10 30 CFEERO COc1ccc(C#CCO)cc1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000049616901 523519556 /nfs/dbraw/zinc/51/95/56/523519556.db2.gz UMFASMUXERUDQZ-GASCZTMLSA-N 1 0 287.403 2.802 10 30 CFEERO COc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1C#CCCO ZINC000049615706 524027040 /nfs/dbraw/zinc/02/70/40/524027040.db2.gz QCCHUTGLTSOITQ-HNNXBMFYSA-N 1 0 287.403 2.804 10 30 CFEERO COc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1C#CCCO ZINC000049616013 524028094 /nfs/dbraw/zinc/02/80/94/524028094.db2.gz WDODFZBBHZOEGP-OAHLLOKOSA-N 1 0 287.403 2.661 10 30 CFEERO C[C@H](CC[NH3+])Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000310991021 524172745 /nfs/dbraw/zinc/17/27/45/524172745.db2.gz LGEPAQIVTPSMGU-MRVPVSSYSA-N 1 0 257.259 2.726 10 30 CFEERO C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1C#CCCO ZINC000049618472 524321383 /nfs/dbraw/zinc/32/13/83/524321383.db2.gz XRMWRWXDUZFVPJ-AWEZNQCLSA-N 1 0 257.377 2.651 10 30 CFEERO C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(C#CC[NH3+])cc2)C1 ZINC000049017866 524388314 /nfs/dbraw/zinc/38/83/14/524388314.db2.gz ZNBMIXVSIIGEMH-PBHICJAKSA-N 1 0 284.403 2.648 10 30 CFEERO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@@H]1CCCO1 ZINC000162617782 525437546 /nfs/dbraw/zinc/43/75/46/525437546.db2.gz CBLXZJNDKUITAJ-HZMBPMFUSA-N 1 0 264.756 2.869 10 30 CFEERO Cc1nn(Cc2ccc(C#CC[NH3+])s2)c(C)c1Cl ZINC000050587875 526287760 /nfs/dbraw/zinc/28/77/60/526287760.db2.gz NMBVBQBNRUMKTG-UHFFFAOYSA-N 1 0 279.796 2.573 10 30 CFEERO Cc1nn(Cc2ccccc2C#CC[NH3+])c(C)c1Cl ZINC000050587879 526295993 /nfs/dbraw/zinc/29/59/93/526295993.db2.gz JMFGTFHTKKLKCS-UHFFFAOYSA-N 1 0 273.767 2.512 10 30 CFEERO N#CCCCCOc1ccc(Cl)cc1CC[NH3+] ZINC000049578985 526444798 /nfs/dbraw/zinc/44/47/98/526444798.db2.gz CPXFVUSTIUGWJU-UHFFFAOYSA-N 1 0 252.745 2.914 10 30 CFEERO N#Cc1c(Cl)cccc1OCC1CC[NH2+]CC1 ZINC000052908584 526520113 /nfs/dbraw/zinc/52/01/13/526520113.db2.gz FRCKZFDMEWGIJJ-UHFFFAOYSA-N 1 0 250.729 2.590 10 30 CFEERO N#Cc1c(F)cccc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050942838 526523399 /nfs/dbraw/zinc/52/33/99/526523399.db2.gz WUIRRSPNVFLSRW-LLVKDONJSA-N 1 0 275.327 2.558 10 30 CFEERO N#Cc1ccc(F)cc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000069402144 526640933 /nfs/dbraw/zinc/64/09/33/526640933.db2.gz RXALYEKIOMFJDE-QGZVFWFLSA-N 1 0 287.382 2.661 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2ccc(F)cc2F)c(F)c1 ZINC000049610387 527149787 /nfs/dbraw/zinc/14/97/87/527149787.db2.gz IPIKCQSFFLZTTB-UHFFFAOYSA-N 1 0 291.272 2.993 10 30 CFEERO [NH3+]CC#Cc1ccc(CSc2ccccn2)cc1 ZINC000049611379 527150016 /nfs/dbraw/zinc/15/00/16/527150016.db2.gz VMVPBDORXMEWLO-UHFFFAOYSA-N 1 0 254.358 2.684 10 30 CFEERO [NH3+]CC#Cc1cccc(COCc2ccccc2)c1 ZINC000049610348 527153365 /nfs/dbraw/zinc/15/33/65/527153365.db2.gz QGDCJNIGEZTSJJ-UHFFFAOYSA-N 1 0 251.329 2.714 10 30 CFEERO Cc1nc2ccccc2n1Cc1ccccc1C#CC[NH3+] ZINC000049610027 527171524 /nfs/dbraw/zinc/17/15/24/527171524.db2.gz GRPKWNXYIXRYMW-UHFFFAOYSA-N 1 0 275.355 2.703 10 30 CFEERO CC[N@@H+](Cc1cc(C#CCO)cs1)CC(C)C ZINC000043698540 570261730 /nfs/dbraw/zinc/26/17/30/570261730.db2.gz MWYJVLHKTWRIMZ-UHFFFAOYSA-N 1 0 251.395 2.570 10 30 CFEERO N#Cc1cc2c(nc1NC1CCC([NH3+])CC1)CCCC2 ZINC000051693820 618048859 /nfs/dbraw/zinc/04/88/59/618048859.db2.gz RMQRGNHEAVZYHU-UHFFFAOYSA-N 1 0 270.380 2.514 10 30 CFEERO C[NH2+]C[C@H]1CCCN(c2nc3ccccc3cc2C#N)C1 ZINC000071386034 618107814 /nfs/dbraw/zinc/10/78/14/618107814.db2.gz CRKDYQXKHHCVFP-CYBMUJFWSA-N 1 0 280.375 2.542 10 30 CFEERO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000161729903 618612752 /nfs/dbraw/zinc/61/27/52/618612752.db2.gz UXOSCRWTMVAZJE-ZDUSSCGKSA-N 1 0 268.401 2.799 10 30 CFEERO C#CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000070197480 625283834 /nfs/dbraw/zinc/28/38/34/625283834.db2.gz QRFDRAQRRSZNRZ-UHFFFAOYSA-N 1 0 265.740 2.614 10 30 CFEERO CC[N@@H+]1CCC[C@@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC000233502694 619182683 /nfs/dbraw/zinc/18/26/83/619182683.db2.gz MGFBDVOWUCGBHG-MRVPVSSYSA-N 1 0 270.789 2.564 10 30 CFEERO CC[NH+]=C(N[C@H](C)Cc1ccc(C)s1)N[C@@H]1C[C@@H]1C ZINC000261792694 619271109 /nfs/dbraw/zinc/27/11/09/619271109.db2.gz QOHNNWKJQUIVPV-MISXGVKJSA-N 1 0 279.453 2.951 10 30 CFEERO N#Cc1cc2ccccc2nc1NCC[C@@H]1CC[NH2+]C1 ZINC000071386151 625511022 /nfs/dbraw/zinc/51/10/22/625511022.db2.gz KHNOAPMPRMDATO-LBPRGKRZSA-N 1 0 266.348 2.518 10 30 CFEERO C#CCCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000174612437 623432162 /nfs/dbraw/zinc/43/21/62/623432162.db2.gz FRZOECDLVPXHPW-AWEZNQCLSA-N 1 0 280.412 2.637 10 30 CFEERO CCCCCCCCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000118124476 637138253 /nfs/dbraw/zinc/13/82/53/637138253.db2.gz HHGZUULISVEUEY-KBPBESRZSA-N 1 0 254.418 2.994 10 30 CFEERO C=C[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000123209621 639740310 /nfs/dbraw/zinc/74/03/10/639740310.db2.gz XWFUBJLCSKPGIH-QWHCGFSZSA-N 1 0 268.401 2.798 10 30 CFEERO CCCCCCCCCCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000125911535 642848025 /nfs/dbraw/zinc/84/80/25/642848025.db2.gz CEQQWWDIHHDVTE-CQSZACIVSA-N 1 0 254.418 2.995 10 30 CFEERO CC[NH2+]CC1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000127070993 643857392 /nfs/dbraw/zinc/85/73/92/643857392.db2.gz PRRTYYCIOBINSR-UHFFFAOYSA-N 1 0 279.334 2.662 10 30 CFEERO CCCCCCCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246856725 650886317 /nfs/dbraw/zinc/88/63/17/650886317.db2.gz VJFUIXJZYCPJLG-CVEARBPZSA-N 1 0 298.471 2.651 10 30 CFEERO CC(C)([NH3+])CCNc1ccc(C#N)cc1Br ZINC000304631801 651028364 /nfs/dbraw/zinc/02/83/64/651028364.db2.gz QSDUOKDFICXQNQ-UHFFFAOYSA-N 1 0 282.185 2.860 10 30 CFEERO C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2Br)C1 ZINC000214364690 645629148 /nfs/dbraw/zinc/62/91/48/645629148.db2.gz ZWSXEIKIXUDNDZ-NSHDSACASA-N 1 0 294.196 2.509 10 30 CFEERO C[C@H]1CCN(c2nc3ccccc3cc2C#N)C[C@H]1C[NH3+] ZINC000253177114 651039355 /nfs/dbraw/zinc/03/93/55/651039355.db2.gz ASJVCVLFAQXNCO-SWLSCSKDSA-N 1 0 280.375 2.528 10 30 CFEERO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000132454303 645918665 /nfs/dbraw/zinc/91/86/65/645918665.db2.gz RPKRJTRBWMDHOL-KOLCDFICSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@H]1CCCC[C@@H]1NC(=O)C[N+](C)(C)C1CCCC1 ZINC000029413753 717118311 /nfs/dbraw/zinc/11/83/11/717118311.db2.gz QYZYBZCZQLVNKN-ZFWWWQNUSA-O 1 0 267.437 2.700 10 30 CFEERO C[C@@H]1CCC[C@H](NC(=O)C[N+](C)(C)C2CCCC2)[C@@H]1C ZINC000029413641 717118425 /nfs/dbraw/zinc/11/84/25/717118425.db2.gz NQPZKUIVZLKPNB-FMKPAKJESA-O 1 0 281.464 2.946 10 30 CFEERO C=CCCSCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000595061260 349571329 /nfs/dbraw/zinc/57/13/29/349571329.db2.gz ZMRAIRCWKOOUJY-UPJWGTAASA-N 1 0 255.427 2.699 10 30 CFEERO CO[C@H](C[NH2+][C@H]1CCCC[C@H]1C#N)C1CCCC1 ZINC000595687407 349700509 /nfs/dbraw/zinc/70/05/09/349700509.db2.gz CKPSYTQSYVTLGM-SOUVJXGZSA-N 1 0 250.386 2.864 10 30 CFEERO N#Cc1cc(N2CCC(CC[NH3+])CC2)nc2ccccc12 ZINC000070188663 346907748 /nfs/dbraw/zinc/90/77/48/346907748.db2.gz PZSBMHYUXHDURK-UHFFFAOYSA-N 1 0 280.375 2.672 10 30 CFEERO C[NH2+]C[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N ZINC000596032150 349778718 /nfs/dbraw/zinc/77/87/18/349778718.db2.gz HNJFWLPJMOJNBX-QMMMGPOBSA-N 1 0 257.259 2.597 10 30 CFEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CCC)c1cccs1 ZINC000049545069 122271569 /nfs/dbraw/zinc/27/15/69/122271569.db2.gz YFAUBDJXKBVQQQ-NEPJUHHUSA-N 1 0 266.410 2.870 10 30 CFEERO C=CC[NH+](CC=C)C[C@H](O)COc1cccc2c1CCC2 ZINC000033856426 346312901 /nfs/dbraw/zinc/31/29/01/346312901.db2.gz DOROOFWHTQYTAZ-INIZCTEOSA-N 1 0 287.403 2.589 10 30 CFEERO CC[C@@H]1CN(c2ccc(Cl)cc2C#N)CC[C@@H]1[NH3+] ZINC000122937049 347817672 /nfs/dbraw/zinc/81/76/72/347817672.db2.gz BVKBBRLBSKDMRN-MFKMUULPSA-N 1 0 263.772 2.775 10 30 CFEERO CC[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000122963137 347817826 /nfs/dbraw/zinc/81/78/26/347817826.db2.gz BHGRSKWFDNNCFO-YGRLFVJLSA-N 1 0 263.772 2.775 10 30 CFEERO C#C[C@@H]([NH3+])c1cc(Br)ccc1Br ZINC000130329662 347869901 /nfs/dbraw/zinc/86/99/01/347869901.db2.gz XWQCUTLOLMEAKO-SECBINFHSA-N 1 0 288.970 2.845 10 30 CFEERO C#C[C@H]([NH3+])c1cc(Br)ccc1Br ZINC000130329440 347870041 /nfs/dbraw/zinc/87/00/41/347870041.db2.gz XWQCUTLOLMEAKO-VIFPVBQESA-N 1 0 288.970 2.845 10 30 CFEERO C=C(C)[C@@H]([NH3+])c1csc(I)c1 ZINC000131491689 347878742 /nfs/dbraw/zinc/87/87/42/347878742.db2.gz OSVQWDQFOTYICR-MRVPVSSYSA-N 1 0 279.146 2.929 10 30 CFEERO CCC[C@@H]([NH3+])C#Cc1cscc1Br ZINC000229905163 348204019 /nfs/dbraw/zinc/20/40/19/348204019.db2.gz SJUMEYWILHZZRG-SECBINFHSA-N 1 0 258.184 2.990 10 30 CFEERO CC(C)[C@H]([NH3+])C#Cc1sccc1Br ZINC000300830831 348370146 /nfs/dbraw/zinc/37/01/46/348370146.db2.gz CABOZIUFEMXXRN-SECBINFHSA-N 1 0 258.184 2.845 10 30 CFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000309847919 348408024 /nfs/dbraw/zinc/40/80/24/348408024.db2.gz YVDLBFSGDJCBBP-BZSNNMDCSA-N 1 0 283.419 2.933 10 30 CFEERO CC1(C)CN(C2=CC(=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000306787978 348392599 /nfs/dbraw/zinc/39/25/99/348392599.db2.gz RFHLTYIUTUIVSD-UHFFFAOYSA-N 1 0 284.403 2.830 10 30 CFEERO CC#CC[C@@H]([NH3+])c1sccc1I ZINC000307591227 348400889 /nfs/dbraw/zinc/40/08/89/348400889.db2.gz CELZAJLCDRHAHP-MRVPVSSYSA-N 1 0 291.157 2.766 10 30 CFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000390082632 348541873 /nfs/dbraw/zinc/54/18/73/348541873.db2.gz CZXSEOCSDJGLLP-HZPDHXFCSA-N 1 0 258.365 2.875 10 30 CFEERO N#Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]([NH3+])C3)cc1 ZINC000584625998 348694259 /nfs/dbraw/zinc/69/42/59/348694259.db2.gz AHANBGIKULJGRA-MRXNPFEDSA-N 1 0 291.354 2.627 10 30 CFEERO CCCCCCC[N@@H+]1CCN2C(=O)N(CC)CC[C@H]2C1 ZINC000584640062 348699407 /nfs/dbraw/zinc/69/94/07/348699407.db2.gz IXXXCNRSGWGIGM-HNNXBMFYSA-N 1 0 281.444 2.789 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000584645045 348700919 /nfs/dbraw/zinc/70/09/19/348700919.db2.gz KDPMCJNEIJLNBA-TVQRCGJNSA-N 1 0 279.771 2.914 10 30 CFEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccc(Cl)c1 ZINC000594425389 349416650 /nfs/dbraw/zinc/41/66/50/349416650.db2.gz IAGJHIGEUWKYEM-FZMZJTMJSA-N 1 0 293.798 2.928 10 30 CFEERO C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1Cl ZINC000594427649 349419064 /nfs/dbraw/zinc/41/90/64/349419064.db2.gz VUORIHOBIQQCCP-BXUZGUMPSA-N 1 0 293.798 2.928 10 30 CFEERO CCCCCCC[N@H+](CCOC)CCC(N)=S ZINC000109373377 186250121 /nfs/dbraw/zinc/25/01/21/186250121.db2.gz ZLTKZIWMDHTYNK-UHFFFAOYSA-N 1 0 260.447 2.581 10 30 CFEERO N#Cc1cc(F)c(N2CCCCC[C@H]([NH3+])C2)c(F)c1 ZINC000600958743 350637295 /nfs/dbraw/zinc/63/72/95/350637295.db2.gz IWRUKWOWQISLPN-NSHDSACASA-N 1 0 265.307 2.544 10 30 CFEERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000600962531 350637950 /nfs/dbraw/zinc/63/79/50/350637950.db2.gz FUXJJNJFAZWOFK-WPRPVWTQSA-N 1 0 269.270 2.503 10 30 CFEERO C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C[NH3+] ZINC000600961032 350638112 /nfs/dbraw/zinc/63/81/12/350638112.db2.gz KJZARBAYIAWVFT-ONGXEEELSA-N 1 0 283.297 2.608 10 30 CFEERO C#CCOc1ccccc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000131918905 187595691 /nfs/dbraw/zinc/59/56/91/187595691.db2.gz RENKMWRLZZMSRQ-KRWDZBQOSA-N 1 0 295.386 2.769 10 30 CFEERO N#Cc1ccccc1[C@@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616673790 352407701 /nfs/dbraw/zinc/40/77/01/352407701.db2.gz DUZQHWFLDSMIMM-INIZCTEOSA-N 1 0 277.371 2.859 10 30 CFEERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000292106072 198165238 /nfs/dbraw/zinc/16/52/38/198165238.db2.gz GPRDGYQLALANFU-NOZJJQNGSA-N 1 0 295.180 2.588 10 30 CFEERO N#CC1(c2ccccc2Br)CC[NH2+]CC1 ZINC000091473530 283049614 /nfs/dbraw/zinc/04/96/14/283049614.db2.gz ZRSTUVMHCAXWPM-UHFFFAOYSA-N 1 0 265.154 2.594 10 30 CFEERO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2cccs2)CC1 ZINC000171699617 188754198 /nfs/dbraw/zinc/75/41/98/188754198.db2.gz XMEZNTGMRSYHAD-GFCCVEGCSA-N 1 0 293.436 2.759 10 30 CFEERO N#Cc1cc(F)c(N[C@H]2CCC[C@@H]([NH3+])C2)c(F)c1 ZINC000335581942 283097312 /nfs/dbraw/zinc/09/73/12/283097312.db2.gz NXZZFHDIUGEZCG-ZJUUUORDSA-N 1 0 251.280 2.518 10 30 CFEERO N#Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1C(F)(F)F ZINC000261760384 283107571 /nfs/dbraw/zinc/10/75/71/283107571.db2.gz UWWBZLABNAGJNI-JQWIXIFHSA-N 1 0 295.308 2.623 10 30 CFEERO N#Cc1ccc(N[C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000155826292 283179804 /nfs/dbraw/zinc/17/98/04/283179804.db2.gz NYOHVCRMCKERSA-AWEZNQCLSA-N 1 0 288.351 2.786 10 30 CFEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000178319779 189106948 /nfs/dbraw/zinc/10/69/48/189106948.db2.gz USPAQYGLUAKIOW-KRWDZBQOSA-N 1 0 280.375 2.728 10 30 CFEERO C=CCOc1cccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000179546976 189201122 /nfs/dbraw/zinc/20/11/22/189201122.db2.gz BFYAZAKNNWFDAA-MRXNPFEDSA-N 1 0 272.392 2.531 10 30 CFEERO Cc1cc(NCC[N@H+]2CCCC[C@@H]2C)c(C#N)c(C)n1 ZINC000301797340 201204584 /nfs/dbraw/zinc/20/45/84/201204584.db2.gz UIXSJMGRGZOUTE-ZDUSSCGKSA-N 1 0 272.396 2.856 10 30 CFEERO C[C@@H](NC(=S)Nc1ccc(NCC[NH3+])nc1)C(C)(C)C ZINC000013600666 372035936 /nfs/dbraw/zinc/03/59/36/372035936.db2.gz GERIOJPFHYMIJJ-SNVBAGLBSA-N 1 0 295.456 2.585 10 30 CFEERO COCCCC/C(=N\OCC[NH3+])c1ccc(Cl)cc1 ZINC000014953683 372075512 /nfs/dbraw/zinc/07/55/12/372075512.db2.gz XXPVSQRPGBUFKM-SAPNQHFASA-N 1 0 284.787 2.836 10 30 in-vitro CFEERO SCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000034399454 372508190 /nfs/dbraw/zinc/50/81/90/372508190.db2.gz WRWUYTAXODZABY-UHFFFAOYSA-N 1 0 270.829 2.782 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]([NH3+])C1 ZINC000041030258 372804780 /nfs/dbraw/zinc/80/47/80/372804780.db2.gz OIYXUVRLAHJVNH-LLVKDONJSA-N 1 0 269.270 2.505 10 30 CFEERO C#CCOc1cccc(CNCCC[NH+](CC)CC)c1 ZINC000045946491 373038063 /nfs/dbraw/zinc/03/80/63/373038063.db2.gz FOXSVZQSQOLVOR-UHFFFAOYSA-N 1 0 274.408 2.520 10 30 CFEERO C=CC[N@@H+](CCc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000062364265 373758880 /nfs/dbraw/zinc/75/88/80/373758880.db2.gz MHXUCKZPKJBTNT-KRWDZBQOSA-N 1 0 291.435 2.893 10 30 CFEERO Cc1nc(C2CC[NH+](Cc3cccc(C#N)c3)CC2)no1 ZINC000064543323 373826642 /nfs/dbraw/zinc/82/66/42/373826642.db2.gz PHHKYCHPMOUCEQ-UHFFFAOYSA-N 1 0 282.347 2.629 10 30 CFEERO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc1Cl ZINC000083420594 374744263 /nfs/dbraw/zinc/74/42/63/374744263.db2.gz GWIVFVQDVOFQDC-CQSZACIVSA-N 1 0 275.783 2.886 10 30 CFEERO C=CCOc1ccccc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000089161262 374879442 /nfs/dbraw/zinc/87/94/42/374879442.db2.gz OLAHDVLOENDQRG-UKRRQHHQSA-N 1 0 261.365 2.502 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(C#N)ccc1F ZINC000092628656 375130858 /nfs/dbraw/zinc/13/08/58/375130858.db2.gz XNKGFUASLBPSRX-OAHLLOKOSA-N 1 0 275.371 2.613 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(F)cc1C#N ZINC000092631313 375132582 /nfs/dbraw/zinc/13/25/82/375132582.db2.gz JJZCZGZOWNUAAM-AWEZNQCLSA-N 1 0 261.344 2.618 10 30 CFEERO N#Cc1csc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000092812892 375160033 /nfs/dbraw/zinc/16/00/33/375160033.db2.gz TYIWHKUJBBOKDE-CYBMUJFWSA-N 1 0 298.415 2.949 10 30 CFEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121677712 376881884 /nfs/dbraw/zinc/88/18/84/376881884.db2.gz WMXXITXEZUUEBQ-INIZCTEOSA-N 1 0 298.365 2.867 10 30 CFEERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccc(C#N)c1 ZINC000135632274 378152063 /nfs/dbraw/zinc/15/20/63/378152063.db2.gz TWSAYJNZBUSJNV-MAZHCROVSA-N 1 0 258.365 2.902 10 30 CFEERO CC#CCC[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000155447248 378627528 /nfs/dbraw/zinc/62/75/28/378627528.db2.gz JWOIMYHEPVCKIR-UHFFFAOYSA-N 1 0 283.375 2.672 10 30 CFEERO C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H]1[NH+](C)C ZINC000162925937 378942507 /nfs/dbraw/zinc/94/25/07/378942507.db2.gz LTVNMFXZRARIHQ-NHYWBVRUSA-N 1 0 277.799 2.594 10 30 CFEERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)[C@H]1CCCO1 ZINC000187495738 382198214 /nfs/dbraw/zinc/19/82/14/382198214.db2.gz SFFQPVMBHYMARH-QMTHXVAHSA-N 1 0 264.756 2.869 10 30 CFEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000187696406 382249838 /nfs/dbraw/zinc/24/98/38/382249838.db2.gz OHZIZLXOUIEXKR-CJNGLKHVSA-N 1 0 280.375 2.842 10 30 CFEERO CC[N@H+](C)[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000302764482 382313570 /nfs/dbraw/zinc/31/35/70/382313570.db2.gz LDKFFILSNOCRBN-NSHDSACASA-N 1 0 298.312 2.502 10 30 CFEERO N#Cc1c(F)cccc1NC(=[NH2+])NCc1ccccc1 ZINC000306441470 382456241 /nfs/dbraw/zinc/45/62/41/382456241.db2.gz STVZBBZIQPULPN-UHFFFAOYSA-N 1 0 268.295 2.834 10 30 CFEERO CC(C)CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193045331 382714915 /nfs/dbraw/zinc/71/49/15/382714915.db2.gz XPUHTDJEGAMNSF-HRCADAONSA-N 1 0 263.429 2.779 10 30 CFEERO N#Cc1cccc(CN2CCO[C@H]3CCCC[C@@H]32)c1F ZINC000219516890 382794106 /nfs/dbraw/zinc/79/41/06/382794106.db2.gz YRWUNVABOZGCLZ-GJZGRUSLSA-N 1 0 274.339 2.841 10 30 CFEERO [NH3+]CCCCC#Cc1cscc1Br ZINC000229618332 382852527 /nfs/dbraw/zinc/85/25/27/382852527.db2.gz VNPRNCITDUNRQK-UHFFFAOYSA-N 1 0 258.184 2.991 10 30 CFEERO N#Cc1cc(Cl)ccc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252667797 383426179 /nfs/dbraw/zinc/42/61/79/383426179.db2.gz OABXLAZPXJPWDD-AWEZNQCLSA-N 1 0 275.783 2.886 10 30 CFEERO Cc1nc(NCC2([NH3+])CCCCC2)c(Cl)cc1C#N ZINC000261576169 383518448 /nfs/dbraw/zinc/51/84/48/383518448.db2.gz BYVPHYFTBHYYAN-UHFFFAOYSA-N 1 0 278.787 2.989 10 30 CFEERO Cc1nc(N[C@H](C)[C@H]2CCC[NH2+]C2)c(Cl)cc1C#N ZINC000261670003 383540708 /nfs/dbraw/zinc/54/07/08/383540708.db2.gz ZZAPRTHWPNJAER-KOLCDFICSA-N 1 0 278.787 2.715 10 30 CFEERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000282044678 195486506 /nfs/dbraw/zinc/48/65/06/195486506.db2.gz AKIDSVCLVPPUDO-ZSBIGDGJSA-N 1 0 264.394 2.913 10 30 CFEERO Cc1nc(C[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)no1 ZINC000191991335 130345083 /nfs/dbraw/zinc/34/50/83/130345083.db2.gz XTYKZFZUASOLQO-QGZVFWFLSA-N 1 0 295.386 2.684 10 30 CFEERO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000183130927 393517449 /nfs/dbraw/zinc/51/74/49/393517449.db2.gz OAUWRYGJCSVRMS-IUODEOHRSA-N 1 0 263.768 2.849 10 30 CFEERO COc1ccc([C@](C#N)(CCC[NH3+])C(C)C)cc1OC ZINC000005761472 170137817 /nfs/dbraw/zinc/13/78/17/170137817.db2.gz UCWOSFAANAZHKR-INIZCTEOSA-N 1 0 276.380 2.860 10 30 CFEERO COc1ccc([C@@](C#N)(CCC[NH3+])C(C)C)cc1OC ZINC000005761247 170137880 /nfs/dbraw/zinc/13/78/80/170137880.db2.gz UCWOSFAANAZHKR-MRXNPFEDSA-N 1 0 276.380 2.860 10 30 CFEERO CN/C(=[NH+]\C)SCc1ccccc1Br ZINC000007751379 170300587 /nfs/dbraw/zinc/30/05/87/170300587.db2.gz TXRFECPYKIHVFK-UHFFFAOYSA-N 1 0 273.199 2.888 10 30 CFEERO N#Cc1ccccc1NC(=O)CCC[NH+]1CCCCC1 ZINC000019846902 170895625 /nfs/dbraw/zinc/89/56/25/170895625.db2.gz BGBPFRVLUKIACJ-UHFFFAOYSA-N 1 0 271.364 2.763 10 30 CFEERO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1N ZINC000035360809 172152129 /nfs/dbraw/zinc/15/21/29/172152129.db2.gz XSNMRBNCLNFUNP-UHFFFAOYSA-N 1 0 251.333 2.772 10 30 CFEERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000037386327 173169065 /nfs/dbraw/zinc/16/90/65/173169065.db2.gz ZXBIBLBFUTVDMB-SECBINFHSA-N 1 0 265.744 2.538 10 30 CFEERO CC(C)[NH2+]CCC(=O)Nc1cc(Cl)ccc1C#N ZINC000037395498 173176217 /nfs/dbraw/zinc/17/62/17/173176217.db2.gz QTTLMUNKCCEJCW-UHFFFAOYSA-N 1 0 265.744 2.538 10 30 CFEERO [NH3+]CC#Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000037547948 173264653 /nfs/dbraw/zinc/26/46/53/173264653.db2.gz APTWXEPDUKXZBH-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO Cc1ccc(OCc2ccccc2)c(C#CC[NH3+])c1 ZINC000037548026 173264967 /nfs/dbraw/zinc/26/49/67/173264967.db2.gz SNQQTAMGZXKGGG-UHFFFAOYSA-N 1 0 251.329 2.884 10 30 CFEERO CCC[C@@](C)([NH3+])C(=O)Nc1cc(Cl)ccc1C#N ZINC000037621923 173572767 /nfs/dbraw/zinc/57/27/67/173572767.db2.gz ZEVGRWIAZMWQIQ-CYBMUJFWSA-N 1 0 265.744 2.668 10 30 CFEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000659331834 414501393 /nfs/dbraw/zinc/50/13/93/414501393.db2.gz QZJWGJPGOLXQGE-RRFJBIMHSA-N 1 0 264.413 2.627 10 30 CFEERO CC(C)(C)[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1C#N ZINC000040462637 174271485 /nfs/dbraw/zinc/27/14/85/174271485.db2.gz KRIOTOZTYUAELR-LLVKDONJSA-N 1 0 265.744 2.524 10 30 CFEERO CC(C)(C)[NH2+]CCCOc1cccc(F)c1C#N ZINC000042407306 174713174 /nfs/dbraw/zinc/71/31/74/174713174.db2.gz YJDRSVACMKKVED-UHFFFAOYSA-N 1 0 250.317 2.854 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)c1ccccn1 ZINC000043342299 175015938 /nfs/dbraw/zinc/01/59/38/175015938.db2.gz MFEJKZOLQSHORX-GDBMZVCRSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)c1cccnc1 ZINC000043351255 175019751 /nfs/dbraw/zinc/01/97/51/175019751.db2.gz SLFMPLYMICAHDS-HOCLYGCPSA-N 1 0 285.322 2.950 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)c1ccncc1 ZINC000043356215 175023585 /nfs/dbraw/zinc/02/35/85/175023585.db2.gz NXGBGMANQUFGMX-ZBFHGGJFSA-N 1 0 285.322 2.950 10 30 CFEERO COc1cc(C#N)ccc1O[C@@H](c1ccc(C)o1)[C@H](C)[NH3+] ZINC000043365724 175027327 /nfs/dbraw/zinc/02/73/27/175027327.db2.gz LLMWKDUTAIEHJS-MEDUHNTESA-N 1 0 286.331 2.936 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1ccccc1C#N)C(F)(F)F ZINC000043384074 175031145 /nfs/dbraw/zinc/03/11/45/175031145.db2.gz UVVOLFJYOBPWEQ-ONGXEEELSA-N 1 0 258.243 2.605 10 30 CFEERO CC(C)(C)CC(C)(C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000043438586 175045971 /nfs/dbraw/zinc/04/59/71/175045971.db2.gz PFWJXXJMJFIBDD-UHFFFAOYSA-N 1 0 286.419 2.941 10 30 CFEERO C[C@@H](C#N)Oc1ccc(Br)cc1C[NH2+]C1CC1 ZINC000043513437 175061635 /nfs/dbraw/zinc/06/16/35/175061635.db2.gz WOEONHFTSKHLKR-VIFPVBQESA-N 1 0 295.180 2.992 10 30 CFEERO CCOc1cccc(C[C@H](C)[NH3+])c1O[C@@H](C#N)CC ZINC000043543635 175064134 /nfs/dbraw/zinc/06/41/34/175064134.db2.gz ITEDUFKENIHLPI-WCQYABFASA-N 1 0 262.353 2.656 10 30 CFEERO CCOc1cc(C[C@H](C)[NH3+])ccc1O[C@@H](C#N)CC ZINC000043543587 175064321 /nfs/dbraw/zinc/06/43/21/175064321.db2.gz WBUUGAIDVWLWOZ-WCQYABFASA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@@H]1CCC[N@H+](Cc2ccc(C#CCO)s2)C1 ZINC000043677845 175089263 /nfs/dbraw/zinc/08/92/63/175089263.db2.gz ARSQBCKTPNFNLN-CYBMUJFWSA-N 1 0 263.406 2.714 10 30 CFEERO C[C@H]1CCC[N@H+](Cc2ccc(C#CCCO)s2)C1 ZINC000043678889 175089716 /nfs/dbraw/zinc/08/97/16/175089716.db2.gz WGMMWNCKBHAPHM-ZDUSSCGKSA-N 1 0 263.406 2.714 10 30 CFEERO CC1CC[NH+](Cc2sccc2C#CCCO)CC1 ZINC000043678791 175089911 /nfs/dbraw/zinc/08/99/11/175089911.db2.gz JRYLNYSCDGWFHV-UHFFFAOYSA-N 1 0 263.406 2.714 10 30 CFEERO CC(C)[C@H](C)[N@H+](C)Cc1ccc(C#CCO)s1 ZINC000043679719 175090165 /nfs/dbraw/zinc/09/01/65/175090165.db2.gz VKCQETZGJJKAMS-LBPRGKRZSA-N 1 0 251.395 2.568 10 30 CFEERO CC(C)[N@@H+](Cc1ccc(C#CCO)s1)CC1CC1 ZINC000043681994 175090827 /nfs/dbraw/zinc/09/08/27/175090827.db2.gz TWIAXSKNERTSRX-UHFFFAOYSA-N 1 0 263.406 2.712 10 30 CFEERO C[C@@H]([N@H+](C)Cc1sccc1C#CCO)C(C)(C)C ZINC000043682092 175090968 /nfs/dbraw/zinc/09/09/68/175090968.db2.gz VMVILLAANTZHKA-GFCCVEGCSA-N 1 0 265.422 2.958 10 30 CFEERO Cc1nc2ccccc2n1Cc1sccc1C#CC[NH3+] ZINC000043684330 175092820 /nfs/dbraw/zinc/09/28/20/175092820.db2.gz RMRUBNIMCZDTFZ-UHFFFAOYSA-N 1 0 281.384 2.765 10 30 CFEERO CCCN(Cc1ccc(C#CC[NH3+])s1)CC(F)(F)F ZINC000043684267 175093220 /nfs/dbraw/zinc/09/32/20/175093220.db2.gz VMOTYLRCHQBWDQ-UHFFFAOYSA-N 1 0 290.354 2.833 10 30 CFEERO Cc1nnc(SCc2ccc(C#CC[NH3+])s2)s1 ZINC000043685837 175093777 /nfs/dbraw/zinc/09/37/77/175093777.db2.gz VCILYHFKYSDHAQ-UHFFFAOYSA-N 1 0 281.431 2.511 10 30 CFEERO C[C@H](C[NH+]1CCCC1)Nc1nc2c(cc1C#N)CCCC2 ZINC000044420063 175173586 /nfs/dbraw/zinc/17/35/86/175173586.db2.gz AUWOSYQITIXHAB-CYBMUJFWSA-N 1 0 284.407 2.728 10 30 CFEERO N#Cc1cccc(CNC2=[NH+]C[C@@H](C3CC3)S2)c1 ZINC000071307958 176116014 /nfs/dbraw/zinc/11/60/14/176116014.db2.gz PVPMFYFZUIJMFD-ZDUSSCGKSA-N 1 0 257.362 2.529 10 30 CFEERO CC(C)[C@H](CC[NH3+])CCC(=O)N(CCC#N)C(C)C ZINC000079255419 177459813 /nfs/dbraw/zinc/45/98/13/177459813.db2.gz ZJYMVZNUOYAAJM-AWEZNQCLSA-N 1 0 267.417 2.538 10 30 CFEERO C[NH+]=C(NCCOC1CCCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000156052297 260778747 /nfs/dbraw/zinc/77/87/47/260778747.db2.gz AMCFTAHULYLSSE-GJZGRUSLSA-N 1 0 293.455 2.643 10 30 CFEERO Cn1cc([C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)cn1 ZINC000120682718 263287775 /nfs/dbraw/zinc/28/77/75/263287775.db2.gz NRJDUWCUZOXWIE-HNNXBMFYSA-N 1 0 299.805 2.915 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[C@H]1[NH3+] ZINC000251615091 274362968 /nfs/dbraw/zinc/36/29/68/274362968.db2.gz DQHZZAGHPNLZBG-NOZJJQNGSA-N 1 0 283.297 2.751 10 30 CFEERO N#Cc1ccc(Cl)cc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228553105 274923080 /nfs/dbraw/zinc/92/30/80/274923080.db2.gz RTLLXNKVPNUCJR-IACUBPJLSA-N 1 0 275.783 2.775 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)[C@@H](C)C[NH2+]1 ZINC000086471117 277915906 /nfs/dbraw/zinc/91/59/06/277915906.db2.gz LWJWNBKDQOYYET-ZJUUUORDSA-N 1 0 283.297 2.764 10 30 CFEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000070174900 278313524 /nfs/dbraw/zinc/31/35/24/278313524.db2.gz CDIRPLOLIDLPOC-CHWSQXEVSA-N 1 0 280.375 2.670 10 30 CFEERO CC1(C)CN(c2c(Cl)cccc2C#N)CC[C@H]1[NH3+] ZINC000334994686 278341440 /nfs/dbraw/zinc/34/14/40/278341440.db2.gz GMGQODVLFFGNHQ-GFCCVEGCSA-N 1 0 263.772 2.775 10 30 CFEERO C[C@H]1[C@H]([NH3+])CCN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000261619168 280114509 /nfs/dbraw/zinc/11/45/09/280114509.db2.gz ULNJLIOVRKVSPG-QPUJVOFHSA-N 1 0 269.270 2.503 10 30 CFEERO CC[NH2+]CCCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000038043388 289823431 /nfs/dbraw/zinc/82/34/31/289823431.db2.gz PHLQGXWYUBLESO-UHFFFAOYSA-N 1 0 271.286 2.989 10 30 CFEERO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000185730564 329330827 /nfs/dbraw/zinc/33/08/27/329330827.db2.gz PCVXHUTXAVPHSM-RRFJBIMHSA-N 1 0 264.413 2.674 10 30 CFEERO C=CCC1(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CCC1 ZINC000189261254 329379072 /nfs/dbraw/zinc/37/90/72/329379072.db2.gz ZIOFHNZLPWPPRL-KGLIPLIRSA-N 1 0 264.413 2.578 10 30 CFEERO C[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000261658085 329975266 /nfs/dbraw/zinc/97/52/66/329975266.db2.gz FRWYBOSDNPVQDT-LXTVHRRPSA-N 1 0 293.455 2.544 10 30 CFEERO COCc1ccccc1NC(=[NH2+])NC[C@H]1CCCCS1 ZINC000262167431 330001316 /nfs/dbraw/zinc/00/13/16/330001316.db2.gz BZQPHMWDFBSTND-CYBMUJFWSA-N 1 0 293.436 2.845 10 30 CFEERO [NH2+]=C(NCC1CCC1)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000262542802 330020436 /nfs/dbraw/zinc/02/04/36/330020436.db2.gz SPRQCUFTBJMEFI-GXFFZTMASA-N 1 0 279.334 2.525 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC=C(c2ccccc2)CC1 ZINC000262593494 330022523 /nfs/dbraw/zinc/02/25/23/330022523.db2.gz VVJQOAGPKAUQTG-XJKSGUPXSA-N 1 0 269.392 2.760 10 30 CFEERO Cc1sc(CNC(=[NH2+])NCC2CCC2)nc1C(C)C ZINC000262522162 330022858 /nfs/dbraw/zinc/02/28/58/330022858.db2.gz JAPRNLSGTZSRLS-UHFFFAOYSA-N 1 0 280.441 2.779 10 30 CFEERO Cc1cc(CCNC(=[NH2+])Nc2cccc3c2CCCC3)on1 ZINC000262665737 330025271 /nfs/dbraw/zinc/02/52/71/330025271.db2.gz OOWJSXVWLUUHOH-UHFFFAOYSA-N 1 0 298.390 2.831 10 30 CFEERO Cc1c(C)c(C)c(CNC2=[NH+]C[C@@H](C)N2)c(C)c1C ZINC000262684934 330027018 /nfs/dbraw/zinc/02/70/18/330027018.db2.gz XZQUECAPRMAIST-SECBINFHSA-N 1 0 259.397 2.666 10 30 CFEERO [NH2+]=C(NCc1cnc(C2CC2)o1)Nc1ccc2c(c1)CCC2 ZINC000263113421 330044275 /nfs/dbraw/zinc/04/42/75/330044275.db2.gz LFOMGHGFWQAHCR-UHFFFAOYSA-N 1 0 296.374 2.968 10 30 CFEERO [NH2+]=C(NCc1cnc(C2CC2)o1)NC1CCCCCC1 ZINC000263120523 330044527 /nfs/dbraw/zinc/04/45/27/330044527.db2.gz LZBLZBZBUGIMPM-UHFFFAOYSA-N 1 0 276.384 2.679 10 30 CFEERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCCCC#N)C1 ZINC000172473192 335106293 /nfs/dbraw/zinc/10/62/93/335106293.db2.gz ABFMRCLROVSJRP-CQSZACIVSA-N 1 0 295.427 2.917 10 30 CFEERO CCC[NH2+]CCNc1ccc(C#N)cc1Br ZINC000169223625 519918545 /nfs/dbraw/zinc/91/85/45/519918545.db2.gz HOCOMQGUUWJPQZ-UHFFFAOYSA-N 1 0 282.185 2.732 10 30 CFEERO CC[C@@H](C)C[N@H+](C)Cc1cc(C#CCO)ccc1OC ZINC000049617895 521971703 /nfs/dbraw/zinc/97/17/03/521971703.db2.gz OZCDAKXNYGXULM-CQSZACIVSA-N 1 0 275.392 2.517 10 30 CFEERO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]1C ZINC000052273749 518321524 /nfs/dbraw/zinc/32/15/24/518321524.db2.gz GSNZZJKLBIKMGZ-ZWNOBZJWSA-N 1 0 294.192 2.959 10 30 CFEERO C=C(Br)C[NH2+]CCCOc1ccccc1 ZINC000052092320 518583692 /nfs/dbraw/zinc/58/36/92/518583692.db2.gz GZFBHKMGUABBAI-UHFFFAOYSA-N 1 0 270.170 2.954 10 30 CFEERO CC(C)(C)C(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061691971 518588288 /nfs/dbraw/zinc/58/82/88/518588288.db2.gz MOJUJEWZIUNNDB-UHFFFAOYSA-N 1 0 264.756 2.635 10 30 CFEERO CC(C)CCC[C@@H](C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049148579 519645148 /nfs/dbraw/zinc/64/51/48/519645148.db2.gz SHCZJRUEZMHZGU-OAHLLOKOSA-N 1 0 286.419 2.941 10 30 CFEERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000246296514 519695959 /nfs/dbraw/zinc/69/59/59/519695959.db2.gz VAEJHUZYEVNADB-GRDNDAEWSA-N 1 0 271.408 2.938 10 30 CFEERO CCCN[C@@H](C#N)CC[NH+](CC(C)C)CC(C)C ZINC000062435670 519982278 /nfs/dbraw/zinc/98/22/78/519982278.db2.gz LOBRXBHASZOGHI-OAHLLOKOSA-N 1 0 253.434 2.882 10 30 CFEERO CC[NH+](CC)C[C@@H](C)N[C@@H](CC#N)c1ccccc1 ZINC000055018952 520719798 /nfs/dbraw/zinc/71/97/98/520719798.db2.gz OAIZCGKYPWMMMJ-ZBFHGGJFSA-N 1 0 259.397 2.961 10 30 CFEERO CCC[C@H](C)[N@H+](C)CCOc1cccc(C#CCO)c1 ZINC000049613202 521033374 /nfs/dbraw/zinc/03/33/74/521033374.db2.gz MKXNNILLUYDPFU-HNNXBMFYSA-N 1 0 275.392 2.530 10 30 CFEERO CCC[N@H+](Cc1ccc(F)c(C#CCCO)c1)C1CC1 ZINC000049617705 521683362 /nfs/dbraw/zinc/68/33/62/521683362.db2.gz JAFXBIIUZBNRHQ-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO CC[C@@H](C)[N@H+](C)Cc1ccc(F)c(C#CCCO)c1 ZINC000049617232 522063586 /nfs/dbraw/zinc/06/35/86/522063586.db2.gz WVCNSNQYLHOUDG-CYBMUJFWSA-N 1 0 263.356 2.790 10 30 CFEERO CC[C@@H](C)[N@H+](CC)Cc1ccc(F)c(C#CCO)c1 ZINC000049617617 522085153 /nfs/dbraw/zinc/08/51/53/522085153.db2.gz DSIDKGGEETXFNH-CYBMUJFWSA-N 1 0 263.356 2.790 10 30 CFEERO C[NH2+]C[C@H]1CCCN(c2ccc(C#N)cc2Cl)C1 ZINC000062791326 522085083 /nfs/dbraw/zinc/08/50/83/522085083.db2.gz SMARTFLYZFJTHB-GFCCVEGCSA-N 1 0 263.772 2.647 10 30 CFEERO CC[C@@H](C)SCCOc1ccc(C#CC[NH3+])cc1 ZINC000049611204 522274285 /nfs/dbraw/zinc/27/42/85/522274285.db2.gz IYJHQLPVIBAJMG-CYBMUJFWSA-N 1 0 263.406 2.907 10 30 CFEERO CCc1nc(NC(=O)c2cccc(C#CC[NH3+])c2)sc1C ZINC000049189204 522404512 /nfs/dbraw/zinc/40/45/12/522404512.db2.gz VGXMOIQGVCHZSD-UHFFFAOYSA-N 1 0 299.399 2.576 10 30 CFEERO CC[C@@H]([NH3+])CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000164089137 522640570 /nfs/dbraw/zinc/64/05/70/522640570.db2.gz REWXZEKEZVLFJO-SECBINFHSA-N 1 0 257.259 2.726 10 30 CFEERO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#CCO)cc1F ZINC000049617498 523028004 /nfs/dbraw/zinc/02/80/04/523028004.db2.gz DQDIONMRCOYYOQ-INIZCTEOSA-N 1 0 275.367 2.934 10 30 CFEERO CC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#CCO ZINC000049617481 523029808 /nfs/dbraw/zinc/02/98/08/523029808.db2.gz CDXNKBFPNLYJKT-KRWDZBQOSA-N 1 0 257.377 2.795 10 30 CFEERO CC[C@H]1CCC[N@@H+]1CCOc1cccc(C#CCCO)c1 ZINC000049615097 523110379 /nfs/dbraw/zinc/11/03/79/523110379.db2.gz DNIMCSHILFHZRB-KRWDZBQOSA-N 1 0 287.403 2.674 10 30 CFEERO C[N@H+](Cc1ccc(C#CCO)cc1F)C1CCCC1 ZINC000049617545 523208371 /nfs/dbraw/zinc/20/83/71/523208371.db2.gz ZEVHTSADMDZTLB-UHFFFAOYSA-N 1 0 261.340 2.544 10 30 CFEERO CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049124775 523222531 /nfs/dbraw/zinc/22/25/31/523222531.db2.gz BRIPCCWLLVWQJC-NVXWUHKLSA-N 1 0 284.403 2.695 10 30 CFEERO C[N@H+](Cc1ccc(F)c(C#CCCO)c1)C1CCCC1 ZINC000049617556 523238367 /nfs/dbraw/zinc/23/83/67/523238367.db2.gz IYKNUMSRFFGPPS-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO C[N@H+](Cc1ccccc1)Cc1ccc(F)c(C#CCO)c1 ZINC000049616325 523347796 /nfs/dbraw/zinc/34/77/96/523347796.db2.gz XPPWDSCBNANXJS-UHFFFAOYSA-N 1 0 283.346 2.802 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)c(F)c1 ZINC000192119110 523480594 /nfs/dbraw/zinc/48/05/94/523480594.db2.gz ABKVLCMARHIOPR-HZPDHXFCSA-N 1 0 287.382 2.756 10 30 CFEERO COc1ccc(C#CCO)cc1C[N@H+](C)[C@H](C)C(C)C ZINC000049618581 523515567 /nfs/dbraw/zinc/51/55/67/523515567.db2.gz LDTVBLCLWTXXGG-CQSZACIVSA-N 1 0 275.392 2.515 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1CSCC(C)C ZINC000049611457 523515864 /nfs/dbraw/zinc/51/58/64/523515864.db2.gz YYHMOGNKOIUTOR-UHFFFAOYSA-N 1 0 263.406 2.895 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1CSc1ccccn1 ZINC000049611380 523516116 /nfs/dbraw/zinc/51/61/16/523516116.db2.gz PYYTVBCLENHIKS-UHFFFAOYSA-N 1 0 284.384 2.693 10 30 CFEERO CC[C@]1(C(=O)Nc2ccc(C#N)c(Cl)c2)CC[NH2+]C1 ZINC000062890206 523543677 /nfs/dbraw/zinc/54/36/77/523543677.db2.gz FJSINVFISYRBFP-AWEZNQCLSA-N 1 0 277.755 2.540 10 30 CFEERO CC[C@H](C)C[N@H+](C)Cc1cc(C#CCO)ccc1OC ZINC000049617897 523868667 /nfs/dbraw/zinc/86/86/67/523868667.db2.gz OZCDAKXNYGXULM-AWEZNQCLSA-N 1 0 275.392 2.517 10 30 CFEERO CC[C@H](C)[N@H+](CC)CCOc1cccc(C#CCO)c1 ZINC000049617586 523933906 /nfs/dbraw/zinc/93/39/06/523933906.db2.gz RPDDRCMTIFZIMG-HNNXBMFYSA-N 1 0 275.392 2.530 10 30 CFEERO CC[C@H](C)[N@H+](CC)CCOc1ccc(C#CCO)cc1 ZINC000049617589 523934078 /nfs/dbraw/zinc/93/40/78/523934078.db2.gz XSJIFVITMZIEBS-HNNXBMFYSA-N 1 0 275.392 2.530 10 30 CFEERO C[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#CCCO)C1 ZINC000049616100 524094636 /nfs/dbraw/zinc/09/46/36/524094636.db2.gz NAXBGRLQEWHLKO-AWEZNQCLSA-N 1 0 275.367 2.792 10 30 CFEERO C[C@H]1CCC[N@H+](Cc2ccc(F)c(C#CCCO)c2)C1 ZINC000049616106 524094673 /nfs/dbraw/zinc/09/46/73/524094673.db2.gz WGKYNMNAKNUEFS-AWEZNQCLSA-N 1 0 275.367 2.792 10 30 CFEERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#CCCO)c1 ZINC000049615763 524114165 /nfs/dbraw/zinc/11/41/65/524114165.db2.gz XJBFLVDPUSOQRF-CQSZACIVSA-N 1 0 275.367 2.934 10 30 CFEERO COc1ccc(COc2ccccc2)cc1C#CC[NH3+] ZINC000049610526 524121383 /nfs/dbraw/zinc/12/13/83/524121383.db2.gz OMNHVFUHLMZUPW-UHFFFAOYSA-N 1 0 267.328 2.584 10 30 CFEERO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccccc1C#CCO ZINC000049616892 524190875 /nfs/dbraw/zinc/19/08/75/524190875.db2.gz VWUFYQAETLAVQC-GJZGRUSLSA-N 1 0 257.377 2.793 10 30 CFEERO C[C@@H]1CCC[C@@H](C)[NH+]1CCOc1cccc(C#CCO)c1 ZINC000049616882 524278716 /nfs/dbraw/zinc/27/87/16/524278716.db2.gz QPQKMTNMILOBDS-HZPDHXFCSA-N 1 0 287.403 2.672 10 30 CFEERO C[C@@H](CCCC[NH3+])Nc1ncc(Br)cc1C#N ZINC000310163205 524457731 /nfs/dbraw/zinc/45/77/31/524457731.db2.gz RPJBPMHCHNMYMJ-VIFPVBQESA-N 1 0 297.200 2.645 10 30 CFEERO C[C@@H](CC[NH3+])Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000311065126 524481702 /nfs/dbraw/zinc/48/17/02/524481702.db2.gz ZTWJJQFAGQBZQK-QMMMGPOBSA-N 1 0 257.259 2.726 10 30 CFEERO Cc1cccc(OCc2cccc(C#CC[NH3+])c2)c1 ZINC000049610500 524765498 /nfs/dbraw/zinc/76/54/98/524765498.db2.gz IJVQZIVZEOEGSJ-UHFFFAOYSA-N 1 0 251.329 2.884 10 30 CFEERO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(F)cc2C#CCO)C1 ZINC000049616659 524884632 /nfs/dbraw/zinc/88/46/32/524884632.db2.gz GGMOBCRITVAJIP-KBPBESRZSA-N 1 0 275.367 2.647 10 30 CFEERO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C#CCCO)C1 ZINC000049616604 524885725 /nfs/dbraw/zinc/88/57/25/524885725.db2.gz LCCGYLRXBBKJTL-HOTGVXAUSA-N 1 0 271.404 2.898 10 30 CFEERO C[C@@H]([NH3+])c1ccc(N(C)C[C@H](C)C#N)c(Cl)c1 ZINC000061697439 525027365 /nfs/dbraw/zinc/02/73/65/525027365.db2.gz BNPYWJCVQZQHBY-NXEZZACHSA-N 1 0 251.761 2.956 10 30 CFEERO C[C@@H](NC(=O)C1CCCCC1)c1cccc(C#CC[NH3+])c1 ZINC000049587151 525069069 /nfs/dbraw/zinc/06/90/69/525069069.db2.gz AQRGYYKSXGKNSY-CQSZACIVSA-N 1 0 284.403 2.754 10 30 CFEERO Cc1cc(NC[C@H](C)C[NH+]2CCCC2)c(C#N)c(C)n1 ZINC000156578938 525274834 /nfs/dbraw/zinc/27/48/34/525274834.db2.gz DBSHSBLOSASGMK-LBPRGKRZSA-N 1 0 272.396 2.714 10 30 CFEERO C[C@H]1CCCC[N@@H+]1Cc1ccc(C#CCCO)cc1 ZINC000049615700 526251317 /nfs/dbraw/zinc/25/13/17/526251317.db2.gz SGXGGVAQBXWZRI-HNNXBMFYSA-N 1 0 257.377 2.795 10 30 CFEERO C[C@H]1CCCC[C@@H]1OCCOc1ccc(C#CC[NH3+])cc1 ZINC000049610671 526259150 /nfs/dbraw/zinc/25/91/50/526259150.db2.gz GXFSSWNBYCIKBH-YJBOKZPZSA-N 1 0 287.403 2.971 10 30 CFEERO N#Cc1c(Cl)cccc1N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000052904461 526520232 /nfs/dbraw/zinc/52/02/32/526520232.db2.gz JJOZRYVLDRWEGT-UONOGXRCSA-N 1 0 261.756 2.860 10 30 CFEERO N#Cc1c(F)cccc1OCc1cccc(C#CC[NH3+])c1 ZINC000049611084 526526396 /nfs/dbraw/zinc/52/63/96/526526396.db2.gz LBUQMCPUMGKYIA-UHFFFAOYSA-N 1 0 280.302 2.587 10 30 CFEERO N#Cc1ccc(F)cc1CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000069402205 526641695 /nfs/dbraw/zinc/64/16/95/526641695.db2.gz YKKJKIWZNMNQGX-MRXNPFEDSA-N 1 0 281.334 2.587 10 30 CFEERO [NH3+]CC#Cc1cc(COc2ccc(F)cc2F)ccc1F ZINC000049610390 527147421 /nfs/dbraw/zinc/14/74/21/527147421.db2.gz VLDTYCFFEYNLOE-UHFFFAOYSA-N 1 0 291.272 2.993 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1OCc1ccc(F)cc1F ZINC000050886310 527148247 /nfs/dbraw/zinc/14/82/47/527148247.db2.gz CRBKAIFCTQRIHM-UHFFFAOYSA-N 1 0 291.272 2.993 10 30 CFEERO [NH3+]CC#Cc1ccc(CN2Cc3ccccc3C2)c(F)c1 ZINC000050911915 527148856 /nfs/dbraw/zinc/14/88/56/527148856.db2.gz BRVYGIVJFWUMJE-UHFFFAOYSA-N 1 0 280.346 2.652 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2ccc(F)c(F)c2)c(F)c1 ZINC000049611078 527149968 /nfs/dbraw/zinc/14/99/68/527149968.db2.gz QGBQBTVOKXVOHJ-UHFFFAOYSA-N 1 0 291.272 2.993 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2cccc(F)c2)c(F)c1 ZINC000049610565 527150751 /nfs/dbraw/zinc/15/07/51/527150751.db2.gz ZIVWFPNZZBFVGP-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO [NH3+]CC#Cc1ccc(OCCOc2cccc(F)c2)cc1 ZINC000049610559 527151723 /nfs/dbraw/zinc/15/17/23/527151723.db2.gz JKJFIIKLOIMWHO-UHFFFAOYSA-N 1 0 285.318 2.594 10 30 CFEERO [NH3+]CC#Cc1cccc(CN2CCCc3ccccc32)c1 ZINC000049608700 527152073 /nfs/dbraw/zinc/15/20/73/527152073.db2.gz CBYTZQJGDMADSH-UHFFFAOYSA-N 1 0 276.383 2.950 10 30 CFEERO [NH3+]CC#Cc1cccc(CSc2ccccn2)c1 ZINC000049611384 527152906 /nfs/dbraw/zinc/15/29/06/527152906.db2.gz CDUYNAMITGRUIG-UHFFFAOYSA-N 1 0 254.358 2.684 10 30 CFEERO C#C/C=C/C[C@@H]1CCC[C@]2(CCC[C@H](O)[C@H]2/C=C/C#C)[NH2+]1 ZINC000004654879 560199339 /nfs/dbraw/zinc/19/93/39/560199339.db2.gz JBRYWENFVHQBGY-GFSCOHCQSA-N 1 0 283.415 2.797 10 30 in-vitro CFEERO N#Cc1ccc(C(F)(F)F)nc1N[C@@H](C[NH3+])C1CCCC1 ZINC000236236319 618613240 /nfs/dbraw/zinc/61/32/40/618613240.db2.gz PXSCMGUKULIPBC-NSHDSACASA-N 1 0 298.312 2.901 10 30 CFEERO C#CCCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000174612422 618630370 /nfs/dbraw/zinc/63/03/70/618630370.db2.gz FRZOECDLVPXHPW-CQSZACIVSA-N 1 0 280.412 2.637 10 30 CFEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)Cc1cccc(F)c1 ZINC000178458375 619038904 /nfs/dbraw/zinc/03/89/04/619038904.db2.gz ZLISKSOYNHYPRC-AWEZNQCLSA-N 1 0 291.366 2.645 10 30 CFEERO CCN(c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000071314329 625496406 /nfs/dbraw/zinc/49/64/06/625496406.db2.gz GKSDCVKMDQGESI-LBPRGKRZSA-N 1 0 283.297 2.765 10 30 CFEERO CCCCCCC[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000157974486 623086752 /nfs/dbraw/zinc/08/67/52/623086752.db2.gz JBFPYIAJZAWWLE-UHFFFAOYSA-N 1 0 292.471 2.898 10 30 CFEERO Cc1cc(C)c(C#N)c(NC[C@@H]([NH3+])c2ccccc2)n1 ZINC000062838496 623299498 /nfs/dbraw/zinc/29/94/98/623299498.db2.gz VETPVRZVMRTLCP-OAHLLOKOSA-N 1 0 266.348 2.682 10 30 CFEERO CCCN(c1cc(C#N)c2ccccc2n1)[C@H]1CC[NH2+]C1 ZINC000068771189 625027560 /nfs/dbraw/zinc/02/75/60/625027560.db2.gz WYZHKPYOHPVFTQ-AWEZNQCLSA-N 1 0 280.375 2.685 10 30 CFEERO CCCCCCCCCC(=O)NC[C@H]1CN(C)CCO1 ZINC000194619373 636795081 /nfs/dbraw/zinc/79/50/81/636795081.db2.gz VZOLXXUCSXCIJX-HNNXBMFYSA-N 1 0 284.444 2.574 10 30 CFEERO CCCCCCC[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000118199209 637164122 /nfs/dbraw/zinc/16/41/22/637164122.db2.gz SRTPZWVMGJIMPP-GJZGRUSLSA-N 1 0 256.434 2.656 10 30 CFEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)/C=C/c1ccccc1C#N ZINC000078614694 650518850 /nfs/dbraw/zinc/51/88/50/650518850.db2.gz QMIHFLPOPAUFAY-OAGJVSPASA-N 1 0 299.418 2.664 10 30 CFEERO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000124311652 641958820 /nfs/dbraw/zinc/95/88/20/641958820.db2.gz CBOGPKJNYWZAPG-KMFMINBZSA-N 1 0 288.391 2.618 10 30 CFEERO N#Cc1cc(F)c(N2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000127047310 643852368 /nfs/dbraw/zinc/85/23/68/643852368.db2.gz FLWZRJDIBSLZBX-HNNXBMFYSA-N 1 0 291.345 2.805 10 30 CFEERO CCCCCCC[N@@H+]1CCN(CCOCC)[C@@H](C)C1 ZINC000246876279 650886286 /nfs/dbraw/zinc/88/62/86/650886286.db2.gz FPTFWWGWCTUOAJ-INIZCTEOSA-N 1 0 270.461 2.999 10 30 CFEERO CCCCCCC[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000246973336 650891646 /nfs/dbraw/zinc/89/16/46/650891646.db2.gz LILVXCZWOIEKMP-HNNXBMFYSA-N 1 0 256.434 2.609 10 30 CFEERO N#Cc1ccc(NC[C@@H]([NH3+])C2CC2)cc1C(F)(F)F ZINC000129334507 645158158 /nfs/dbraw/zinc/15/81/58/645158158.db2.gz CBHBJYMHWWCGHB-GFCCVEGCSA-N 1 0 269.270 2.726 10 30 CFEERO CC[NH2+]CC1CCN(c2ccc(C#N)cc2F)CC1 ZINC000131591168 645756124 /nfs/dbraw/zinc/75/61/24/645756124.db2.gz QICSLPSDYVVBME-UHFFFAOYSA-N 1 0 261.344 2.523 10 30 CFEERO C[N+](C)(CCc1ccccc1)CC(=O)Nc1ccccc1 ZINC000031622972 717120549 /nfs/dbraw/zinc/12/05/49/717120549.db2.gz ADODVMNIABCLBU-UHFFFAOYSA-O 1 0 283.395 2.944 10 30 CFEERO COc1ccccc1OCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595692378 349704104 /nfs/dbraw/zinc/70/41/04/349704104.db2.gz NULMDOIHFUOARK-ZIAGYGMSSA-N 1 0 274.364 2.746 10 30 CFEERO C[NH2+]C[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000596033328 349779169 /nfs/dbraw/zinc/77/91/69/349779169.db2.gz UDTCNEDUFAQNCG-QMMMGPOBSA-N 1 0 257.259 2.597 10 30 CFEERO C[C@H]1C/C(=N\OC[C@H](O)C[NH2+]C(C)(C)C)CC(C)(C)C1 ZINC000038811117 346339539 /nfs/dbraw/zinc/33/95/39/346339539.db2.gz YQZGYLVYTGIJAX-DJTLZPBTSA-N 1 0 284.444 2.954 10 30 CFEERO C=C[C@@H]([NH3+])c1csc(I)c1 ZINC000130720693 347873909 /nfs/dbraw/zinc/87/39/09/347873909.db2.gz ZXHZXDLSTNDMBT-ZCFIWIBFSA-N 1 0 265.119 2.539 10 30 CFEERO C=C(C)[C@H]([NH3+])c1cccc(I)c1 ZINC000131273741 347877207 /nfs/dbraw/zinc/87/72/07/347877207.db2.gz JEAGKLICSULVHY-JTQLQIEISA-N 1 0 273.117 2.867 10 30 CFEERO CC#CC[C@@H]([NH2+]C)c1ccc(Br)cn1 ZINC000133151377 347889940 /nfs/dbraw/zinc/88/99/40/347889940.db2.gz RRAUSZRFTOYCMV-SNVBAGLBSA-N 1 0 253.143 2.518 10 30 CFEERO C#CC[C@@H]([NH3+])c1c(F)cc(Br)cc1F ZINC000168683496 348048985 /nfs/dbraw/zinc/04/89/85/348048985.db2.gz UEUSGJUHXZRGRN-SECBINFHSA-N 1 0 260.081 2.750 10 30 CFEERO CCC[N@@H+]1CCC[C@](C#N)(NCc2cccs2)CC1 ZINC000086849231 179357922 /nfs/dbraw/zinc/35/79/22/179357922.db2.gz SAEHPZQZOUSPNY-HNNXBMFYSA-N 1 0 277.437 2.996 10 30 CFEERO CC[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC[C@H]1[NH3+] ZINC000251740004 348293912 /nfs/dbraw/zinc/29/39/12/348293912.db2.gz KVBVKGRDGWNFAC-GXSJLCMTSA-N 1 0 298.312 2.536 10 30 CFEERO N#Cc1cc(NC(=[NH2+])NCc2ccccc2)ccc1F ZINC000306535733 348388896 /nfs/dbraw/zinc/38/88/96/348388896.db2.gz MFTYYXWTWACCFX-UHFFFAOYSA-N 1 0 268.295 2.834 10 30 CFEERO C=CC[N@H+]1CC[C@]23C[C@@H](O)CC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000584607004 348688130 /nfs/dbraw/zinc/68/81/30/348688130.db2.gz GVQTXBMIFBFNJV-DKKFBQAASA-N 1 0 299.414 2.607 10 30 CFEERO Cc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1C#N ZINC000599295509 350408311 /nfs/dbraw/zinc/40/83/11/350408311.db2.gz NYTGMEQDHMZUOL-RHSMWYFYSA-N 1 0 269.392 2.535 10 30 CFEERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(C(F)(F)F)cc1C#N ZINC000600963034 350638709 /nfs/dbraw/zinc/63/87/09/350638709.db2.gz QERCAANNZHAVPB-GZMMTYOYSA-N 1 0 269.270 2.503 10 30 CFEERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(C(F)(F)F)cc1C#N ZINC000600963037 350638713 /nfs/dbraw/zinc/63/87/13/350638713.db2.gz QERCAANNZHAVPB-LDYMZIIASA-N 1 0 269.270 2.503 10 30 CFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000602706690 350990571 /nfs/dbraw/zinc/99/05/71/350990571.db2.gz HKNYQRVIJFFZSF-LXFSFDBISA-N 1 0 260.381 2.616 10 30 CFEERO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000616631905 352392562 /nfs/dbraw/zinc/39/25/62/352392562.db2.gz IJAJDSROBGPBBZ-SFHVURJKSA-N 1 0 277.371 2.705 10 30 CFEERO N#Cc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616637548 352395438 /nfs/dbraw/zinc/39/54/38/352395438.db2.gz WQEBIIZKWVRHOE-GOSISDBHSA-N 1 0 277.371 2.705 10 30 CFEERO C=CCC(CC=C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000153161795 188069074 /nfs/dbraw/zinc/06/90/74/188069074.db2.gz DORNJJWDSQKSMT-HIFRSBDPSA-N 1 0 264.413 2.600 10 30 CFEERO C=CCOc1ccccc1CNC(=O)[C@@H](CCC)[NH+](C)C ZINC000155017812 188176294 /nfs/dbraw/zinc/17/62/94/188176294.db2.gz KJPBKMAVOWJKNR-OAHLLOKOSA-N 1 0 290.407 2.598 10 30 CFEERO N#Cc1ccc(N2CCC[C@@H](C[NH3+])C2)cc1C(F)(F)F ZINC000044531607 283157153 /nfs/dbraw/zinc/15/71/53/283157153.db2.gz XOVRYYTYQAJLKV-JTQLQIEISA-N 1 0 283.297 2.752 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1ccccc1C#N ZINC000176986731 189018975 /nfs/dbraw/zinc/01/89/75/189018975.db2.gz VCUUZDCYVDIZLQ-DVQDXYAYSA-N 1 0 297.402 2.514 10 30 CFEERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000178287750 189102557 /nfs/dbraw/zinc/10/25/57/189102557.db2.gz AJVAYWJDFFLUGP-MRXNPFEDSA-N 1 0 298.365 2.867 10 30 CFEERO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000180881817 189281965 /nfs/dbraw/zinc/28/19/65/189281965.db2.gz SIILKUZMFVBYMY-OCCSQVGLSA-N 1 0 279.380 2.682 10 30 CFEERO C=CC[NH2+]CC[C@@H]1CCC(=O)N1[C@H](C)c1cccs1 ZINC000014974362 372076428 /nfs/dbraw/zinc/07/64/28/372076428.db2.gz WVCFSNJWSIGKSH-OLZOCXBDSA-N 1 0 278.421 2.966 10 30 CFEERO C=CCC[C@H](O)C[N@@H+](CCCOC)Cc1ccc(F)cc1 ZINC000036031248 372554206 /nfs/dbraw/zinc/55/42/06/372554206.db2.gz FDOMAJRKRGNZCJ-KRWDZBQOSA-N 1 0 295.398 2.991 10 30 CFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000061892253 373738833 /nfs/dbraw/zinc/73/88/33/373738833.db2.gz AGHDRKWYESYZEP-HOCLYGCPSA-N 1 0 266.348 2.654 10 30 CFEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066391669 373927351 /nfs/dbraw/zinc/92/73/51/373927351.db2.gz QDYSRIPRMRVFSJ-VHSXEESVSA-N 1 0 284.762 2.820 10 30 CFEERO N#Cc1cccc(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070070209 374119666 /nfs/dbraw/zinc/11/96/66/374119666.db2.gz VQCVRWJIRMIVCH-OAHLLOKOSA-N 1 0 250.301 2.782 10 30 CFEERO C=CCC[C@H](C[NH+]1CCSCC1)Oc1ccc(C)nn1 ZINC000072421393 374251022 /nfs/dbraw/zinc/25/10/22/374251022.db2.gz VAGWQYLUKOGJKX-CQSZACIVSA-N 1 0 293.436 2.547 10 30 CFEERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCCC#N ZINC000105896137 375792975 /nfs/dbraw/zinc/79/29/75/375792975.db2.gz GSMFUGAGOFXLBA-CQSZACIVSA-N 1 0 260.385 2.868 10 30 CFEERO N#Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114202163 376052245 /nfs/dbraw/zinc/05/22/45/376052245.db2.gz KTIGYFKGOLRLPR-QGZVFWFLSA-N 1 0 296.374 2.887 10 30 CFEERO C[C@@H]1CN(c2ccc(C#N)cc2Br)[C@H](C)C[NH2+]1 ZINC000127281073 377273280 /nfs/dbraw/zinc/27/32/80/377273280.db2.gz VHVYPXLTDMVOAJ-NXEZZACHSA-N 1 0 294.196 2.507 10 30 CFEERO CCOc1cccc(/C=N/[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1O ZINC000129364189 377417917 /nfs/dbraw/zinc/41/79/17/377417917.db2.gz PTFNANNUOYIKHM-QXWLQJASSA-N 1 0 290.407 2.939 10 30 CFEERO N#Cc1cc(F)c(N[C@@H]2CCCC[C@@H]2C[NH3+])c(F)c1 ZINC000133698956 377950319 /nfs/dbraw/zinc/95/03/19/377950319.db2.gz LVINBNIPILOJIU-ZWNOBZJWSA-N 1 0 265.307 2.766 10 30 CFEERO N#Cc1c(Br)cccc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000335581969 379553756 /nfs/dbraw/zinc/55/37/56/379553756.db2.gz ORINBQNEFXNEMC-VHSXEESVSA-N 1 0 294.196 2.860 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C#N)c1 ZINC000173332851 379728072 /nfs/dbraw/zinc/72/80/72/379728072.db2.gz NXCLAUVHBINLSX-JKSUJKDBSA-N 1 0 298.390 2.649 10 30 CFEERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1C#N ZINC000350458577 382012724 /nfs/dbraw/zinc/01/27/24/382012724.db2.gz JZNDBQIAOGUQDD-SPUZQDLCSA-N 1 0 283.419 2.789 10 30 CFEERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000350458555 382012967 /nfs/dbraw/zinc/01/29/67/382012967.db2.gz JZNDBQIAOGUQDD-DDBAPUKQSA-N 1 0 283.419 2.789 10 30 CFEERO C#C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000301017164 382066421 /nfs/dbraw/zinc/06/64/21/382066421.db2.gz ZVXOLCVWEVASLL-CABCVRRESA-N 1 0 294.439 2.881 10 30 CFEERO CC[NH2+]CCCNc1ccc(Br)cc1C#N ZINC000165298984 322384532 /nfs/dbraw/zinc/38/45/32/322384532.db2.gz KXSNFNKPIAJMPT-UHFFFAOYSA-N 1 0 282.185 2.732 10 30 CFEERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(Br)cc1C#N ZINC000320828334 382538356 /nfs/dbraw/zinc/53/83/56/382538356.db2.gz JWDKTBLEQJGOGS-DTWKUNHWSA-N 1 0 282.185 2.858 10 30 CFEERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(C#N)cc1Br ZINC000389721336 382616144 /nfs/dbraw/zinc/61/61/44/382616144.db2.gz GEUOCHUHJLBBAK-TVQRCGJNSA-N 1 0 294.196 2.731 10 30 CFEERO C=CCC[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189914675 382645180 /nfs/dbraw/zinc/64/51/80/382645180.db2.gz VVDWXBRXRKDZFX-RHSMWYFYSA-N 1 0 285.391 2.850 10 30 CFEERO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H]1N(C)C ZINC000235586814 382883621 /nfs/dbraw/zinc/88/36/21/382883621.db2.gz GIQZUEMRMJINNN-KBPBESRZSA-N 1 0 251.418 2.588 10 30 CFEERO C[C@H](C#N)Oc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000245737134 383029596 /nfs/dbraw/zinc/02/95/96/383029596.db2.gz LCFJGJFQJGKRPK-INMHGKMJSA-N 1 0 299.418 2.646 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245937832 383051195 /nfs/dbraw/zinc/05/11/95/383051195.db2.gz UHYSQVCILGTVDX-ZNMIVQPWSA-N 1 0 279.428 2.609 10 30 CFEERO CC#CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000248387270 383232353 /nfs/dbraw/zinc/23/23/53/383232353.db2.gz ASYBRKVGKQNXPP-DLBZAZTESA-N 1 0 257.377 2.988 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@H]1[NH+](C)C ZINC000251649680 383391863 /nfs/dbraw/zinc/39/18/63/383391863.db2.gz GHYDZDUGFMKMMJ-QMTHXVAHSA-N 1 0 297.324 2.963 10 30 CFEERO CC(C)(C#N)CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000252475893 383410457 /nfs/dbraw/zinc/41/04/57/383410457.db2.gz JXRPJRUYVXXMES-DZGCQCFKSA-N 1 0 250.386 2.553 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccccc1C#N ZINC000252661882 383424817 /nfs/dbraw/zinc/42/48/17/383424817.db2.gz QQUQCMHZHCIEOK-YOEHRIQHSA-N 1 0 269.392 2.617 10 30 CFEERO N#Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nc2ccccc12 ZINC000262381181 383618292 /nfs/dbraw/zinc/61/82/92/383618292.db2.gz YTLVIVCQPWMUGE-APHBMKBZSA-N 1 0 292.386 2.670 10 30 CFEERO C[C@H]1CC(C[NH2+]Cc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000282342333 195581056 /nfs/dbraw/zinc/58/10/56/195581056.db2.gz VECPDPHVNCIICA-RYUDHWBXSA-N 1 0 276.355 2.991 10 30 CFEERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186198645 393541673 /nfs/dbraw/zinc/54/16/73/393541673.db2.gz PBWJWRYKNAHWEH-KRWDZBQOSA-N 1 0 299.418 2.747 10 30 CFEERO C#CCOC[C@H](O)C[N@H+](Cc1ccc(C)s1)CC(C)C ZINC000036100996 393522138 /nfs/dbraw/zinc/52/21/38/393522138.db2.gz QFEGIMSSDMLBIC-OAHLLOKOSA-N 1 0 295.448 2.525 10 30 CFEERO C[C@H]1C[NH+](CCC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000313775551 393524062 /nfs/dbraw/zinc/52/40/62/393524062.db2.gz FCCGISCHQZAATC-KBPBESRZSA-N 1 0 250.386 2.960 10 30 CFEERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000421374752 394208093 /nfs/dbraw/zinc/20/80/93/394208093.db2.gz DCPYJMIGWXOPPR-DABQJJPHSA-N 1 0 276.355 2.991 10 30 CFEERO N#Cc1cc(N2CCCC[C@H]2C[NH3+])ccc1C(F)(F)F ZINC000164073270 394369111 /nfs/dbraw/zinc/36/91/11/394369111.db2.gz ZMWQLQFSGLSHIV-LBPRGKRZSA-N 1 0 283.297 2.895 10 30 CFEERO COc1cc(NC(=[NH2+])c2ccccc2)cc(OC)c1OC ZINC000005607285 170119543 /nfs/dbraw/zinc/11/95/43/170119543.db2.gz OXKDCFVNMZBKRU-UHFFFAOYSA-N 1 0 286.331 2.749 10 30 CFEERO C=CCOc1ccc(Br)cc1C[NH2+]C ZINC000006579012 170215135 /nfs/dbraw/zinc/21/51/35/170215135.db2.gz XPXWMTJINRWYGW-UHFFFAOYSA-N 1 0 256.143 2.733 10 30 CFEERO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)N(C)C ZINC000020145607 171030894 /nfs/dbraw/zinc/03/08/94/171030894.db2.gz GTCMSAJKDJVXFZ-CZUORRHYSA-N 1 0 259.397 2.795 10 30 CFEERO N#Cc1ccc(Cl)cc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000036954584 172826313 /nfs/dbraw/zinc/82/63/13/172826313.db2.gz CAMZNRNKXOIBNC-CQSZACIVSA-N 1 0 261.756 2.718 10 30 CFEERO C=COCCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037239109 173056087 /nfs/dbraw/zinc/05/60/87/173056087.db2.gz MHNCFDGTEGKKMT-ZDUSSCGKSA-N 1 0 260.337 2.790 10 30 CFEERO C#CCN1CCC([NH2+]C(C)(C)CC(C)(C)C)CC1 ZINC000037312571 173114854 /nfs/dbraw/zinc/11/48/54/173114854.db2.gz UBJZQAPDDGFZMJ-UHFFFAOYSA-N 1 0 250.430 2.888 10 30 CFEERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037386233 173168806 /nfs/dbraw/zinc/16/88/06/173168806.db2.gz FGEWEDZFNUKHGS-SECBINFHSA-N 1 0 265.744 2.538 10 30 CFEERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037393477 173173948 /nfs/dbraw/zinc/17/39/48/173173948.db2.gz YICIAHNTPIZWQM-UFBFGSQYSA-N 1 0 265.744 2.524 10 30 CFEERO C[NH+]1CCC(C#N)(Nc2cccc(Br)c2)CC1 ZINC000037937562 173877593 /nfs/dbraw/zinc/87/75/93/173877593.db2.gz XIBZHVYPGAHZJJ-UHFFFAOYSA-N 1 0 294.196 2.849 10 30 CFEERO N#Cc1ccc(Cl)cc1NC(=O)CC1CC[NH2+]CC1 ZINC000038075268 174085397 /nfs/dbraw/zinc/08/53/97/174085397.db2.gz SCTKLWDTCNUNGZ-UHFFFAOYSA-N 1 0 277.755 2.540 10 30 CFEERO C[C@@H]1CC[N@H+](CCCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000040718192 174384958 /nfs/dbraw/zinc/38/49/58/174384958.db2.gz ILNPWYOEHPYNHN-CYBMUJFWSA-N 1 0 271.364 2.619 10 30 CFEERO N#Cc1cnc2ccccc2c1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746464 174391356 /nfs/dbraw/zinc/39/13/56/174391356.db2.gz UOYAUXGYIIAONJ-PBWFPOADSA-N 1 0 278.359 2.801 10 30 CFEERO C[C@H]([NH3+])CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000040853354 174421637 /nfs/dbraw/zinc/42/16/37/174421637.db2.gz GRPUSPOLPWFSHN-VIFPVBQESA-N 1 0 277.393 2.564 10 30 CFEERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CCC#N ZINC000042952558 174924403 /nfs/dbraw/zinc/92/44/03/174924403.db2.gz UYWYRJMOPMSIAO-MFKMUULPSA-N 1 0 296.212 2.683 10 30 CFEERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CCC#N ZINC000043090993 174964188 /nfs/dbraw/zinc/96/41/88/174964188.db2.gz VPZSDYYIQVLTPY-MFKMUULPSA-N 1 0 296.212 2.683 10 30 CFEERO C[C@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)c1ccco1 ZINC000043337813 175012832 /nfs/dbraw/zinc/01/28/32/175012832.db2.gz UTFZPYKIGDPUCY-XPTSAGLGSA-N 1 0 260.268 2.758 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)c1ccccn1 ZINC000043343832 175016466 /nfs/dbraw/zinc/01/64/66/175016466.db2.gz JOFWIOQHYLMWJD-XJKSGUPXSA-N 1 0 285.322 2.950 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)c1ccncc1 ZINC000043355397 175023088 /nfs/dbraw/zinc/02/30/88/175023088.db2.gz HOVBAHPGIAJTFA-JKSUJKDBSA-N 1 0 267.332 2.811 10 30 CFEERO COc1cc(C#N)ccc1O[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043365722 175027387 /nfs/dbraw/zinc/02/73/87/175027387.db2.gz LLMWKDUTAIEHJS-BDJLRTHQSA-N 1 0 286.331 2.936 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)C(F)(F)F ZINC000043385171 175031501 /nfs/dbraw/zinc/03/15/01/175031501.db2.gz LCMIRBPCDYXBJS-KOLCDFICSA-N 1 0 276.233 2.744 10 30 CFEERO C[C@@H]([NH3+])Cc1cccc(Br)c1O[C@H](C)C#N ZINC000043518871 175061981 /nfs/dbraw/zinc/06/19/81/175061981.db2.gz OCZVVVSGBTUTJJ-RKDXNWHRSA-N 1 0 283.169 2.630 10 30 CFEERO CC[C@H](C#N)Oc1ccc(C[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000043538731 175063831 /nfs/dbraw/zinc/06/38/31/175063831.db2.gz KWYYFLLFSGBMCH-GFCCVEGCSA-N 1 0 277.324 2.774 10 30 CFEERO CC[C@H](C#N)Oc1ccc2c(c1)OC(C)(C)C[C@H]2[NH3+] ZINC000043539031 175064040 /nfs/dbraw/zinc/06/40/40/175064040.db2.gz VQUURAAPLMRDDR-ZWNOBZJWSA-N 1 0 260.337 2.928 10 30 CFEERO CC[C@H]([NH3+])Cc1ccc(O[C@H](C#N)CC)c(OC)c1 ZINC000043543604 175064144 /nfs/dbraw/zinc/06/41/44/175064144.db2.gz NAYOBIOVEHOIBM-STQMWFEESA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@H]([NH3+])Cc1ccc(OC)c(O[C@H](C#N)CC)c1 ZINC000043543628 175064221 /nfs/dbraw/zinc/06/42/21/175064221.db2.gz CRBHHFPNPSIBIK-STQMWFEESA-N 1 0 262.353 2.656 10 30 CFEERO CC(C)CC[N@H+](C)Cc1sccc1C#CCCO ZINC000043678572 175089316 /nfs/dbraw/zinc/08/93/16/175089316.db2.gz AGAGEFBLNRQCJS-UHFFFAOYSA-N 1 0 265.422 2.960 10 30 CFEERO C[C@@H]1C[C@@H](C)C[NH+](Cc2sccc2C#CCO)C1 ZINC000043679194 175089856 /nfs/dbraw/zinc/08/98/56/175089856.db2.gz NOHZDVCPYZNJQH-CHWSQXEVSA-N 1 0 263.406 2.570 10 30 CFEERO CC[C@H](C)C[N@H+](C)Cc1ccc(C#CCO)s1 ZINC000043679546 175090177 /nfs/dbraw/zinc/09/01/77/175090177.db2.gz YLXKZJNTNKYWRM-LBPRGKRZSA-N 1 0 251.395 2.570 10 30 CFEERO CC[N@@H+](Cc1sccc1C#CCO)CC(C)C ZINC000043679367 175090582 /nfs/dbraw/zinc/09/05/82/175090582.db2.gz NLCYKHTURXRYQR-UHFFFAOYSA-N 1 0 251.395 2.570 10 30 CFEERO CCCCC[N@H+](C)Cc1ccc(C#CCO)s1 ZINC000043679580 175090585 /nfs/dbraw/zinc/09/05/85/175090585.db2.gz QEDROMDLVQDKAL-UHFFFAOYSA-N 1 0 251.395 2.714 10 30 CFEERO C[N@H+](Cc1cccs1)Cc1sccc1C#CCO ZINC000043679617 175090601 /nfs/dbraw/zinc/09/06/01/175090601.db2.gz AHKYOFAYWNUAIC-UHFFFAOYSA-N 1 0 277.414 2.785 10 30 CFEERO COc1cccc(OCc2sccc2C#CC[NH3+])c1 ZINC000043684726 175093290 /nfs/dbraw/zinc/09/32/90/175093290.db2.gz JLQUKDDNVYDKPP-UHFFFAOYSA-N 1 0 273.357 2.646 10 30 CFEERO COc1ccccc1OCc1cc(C#CC[NH3+])cs1 ZINC000043689263 175096140 /nfs/dbraw/zinc/09/61/40/175096140.db2.gz XNUQHPHGRKRUPC-UHFFFAOYSA-N 1 0 273.357 2.646 10 30 CFEERO C[C@H]([NH2+]C[C@@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000044561875 175206170 /nfs/dbraw/zinc/20/61/70/175206170.db2.gz FFQVUVQLCGKHMA-BBRMVZONSA-N 1 0 257.381 2.693 10 30 CFEERO C#CCOc1ccc(C[C@H](C)[NH3+])cc1C(F)(F)F ZINC000071399682 176152190 /nfs/dbraw/zinc/15/21/90/176152190.db2.gz VOZRQDIGVRQYJM-VIFPVBQESA-N 1 0 257.255 2.607 10 30 CFEERO C=CCN(CC=C)C(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000079254547 177459426 /nfs/dbraw/zinc/45/94/26/177459426.db2.gz CIXCRQLWXLVUJO-AWEZNQCLSA-N 1 0 252.402 2.588 10 30 CFEERO Cc1ncoc1C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000330109603 228042177 /nfs/dbraw/zinc/04/21/77/228042177.db2.gz PKDKWDNATPKVOQ-NSHDSACASA-N 1 0 265.357 2.552 10 30 CFEERO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000126587594 264213948 /nfs/dbraw/zinc/21/39/48/264213948.db2.gz FAINCRIUJFUSNE-LBPRGKRZSA-N 1 0 294.345 2.816 10 30 CFEERO N#Cc1cc(N2CCC(C[NH3+])CC2)ccc1C(F)(F)F ZINC000164072421 274919812 /nfs/dbraw/zinc/91/98/12/274919812.db2.gz GLRUVVXHRWLRJU-UHFFFAOYSA-N 1 0 283.297 2.752 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H]([NH3+])C1 ZINC000041030257 274919088 /nfs/dbraw/zinc/91/90/88/274919088.db2.gz OIYXUVRLAHJVNH-NSHDSACASA-N 1 0 269.270 2.505 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000094337552 274922456 /nfs/dbraw/zinc/92/24/56/274922456.db2.gz SDKIRCNAOPGLQD-MWLCHTKSSA-N 1 0 298.312 2.901 10 30 CFEERO C[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H]1C[NH3+] ZINC000094337493 278485650 /nfs/dbraw/zinc/48/56/50/278485650.db2.gz UMTBGLWSHFPVHO-MWLCHTKSSA-N 1 0 298.312 2.536 10 30 CFEERO C[C@@H]1CCN(c2ccc(Cl)cc2C#N)C[C@@H]1C[NH3+] ZINC000163961320 278557588 /nfs/dbraw/zinc/55/75/88/278557588.db2.gz LOCZRZCNGUUNLI-PWSUYJOCSA-N 1 0 263.772 2.633 10 30 CFEERO C[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000126912475 278799779 /nfs/dbraw/zinc/79/97/79/278799779.db2.gz FWFPCTLYHUPNCG-YGRLFVJLSA-N 1 0 297.324 2.963 10 30 CFEERO C[C@H]1C[C@H](C[NH3+])CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000216227083 279992605 /nfs/dbraw/zinc/99/26/05/279992605.db2.gz FMSXZXNBSLMPFJ-VHSXEESVSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc(C#N)ccc1F ZINC000252660829 288298940 /nfs/dbraw/zinc/29/89/40/288298940.db2.gz DZSZYMCKLXWQCM-CJNGLKHVSA-N 1 0 287.382 2.756 10 30 CFEERO Cc1nc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)cc1C#N ZINC000261876319 281112288 /nfs/dbraw/zinc/11/22/88/281112288.db2.gz ZSCLDEIZAHMAPW-FUNVUKJBSA-N 1 0 290.798 2.634 10 30 CFEERO C#CCOc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000113336658 329542886 /nfs/dbraw/zinc/54/28/86/329542886.db2.gz ALHIOZNHFYRZQQ-QGZVFWFLSA-N 1 0 279.339 2.922 10 30 CFEERO CC[C@@H](C)NC(=[NH2+])N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262771010 330030293 /nfs/dbraw/zinc/03/02/93/330030293.db2.gz HHSKOQDHZHOWHN-GLXFQSAKSA-N 1 0 281.350 2.914 10 30 CFEERO C[NH+]=C(NCc1nccc2ccccc21)N[C@H](C)C(C)C ZINC000263109799 330044185 /nfs/dbraw/zinc/04/41/85/330044185.db2.gz DLVWROQZAHKHJZ-CYBMUJFWSA-N 1 0 284.407 2.944 10 30 CFEERO C#C[C@H]([NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000400434212 332709806 /nfs/dbraw/zinc/70/98/06/332709806.db2.gz KWSNPWDHAPSAKF-KKUMJFAQSA-N 1 0 294.439 2.879 10 30 CFEERO CC(C)CC[C@H](C)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000069235787 519690758 /nfs/dbraw/zinc/69/07/58/519690758.db2.gz YDGOKAPHMTZAHE-LBPRGKRZSA-N 1 0 278.421 2.613 10 30 CFEERO CC[NH+](CC)CCN[C@]1(C#N)CCC[C@H](C(F)(F)F)C1 ZINC000069384712 520689960 /nfs/dbraw/zinc/68/99/60/520689960.db2.gz SGNFNROKUQUHLF-QWHCGFSZSA-N 1 0 291.361 2.933 10 30 CFEERO CCC(CC)[N@H+](C)Cc1ccc(F)cc1C#CCO ZINC000049618662 521543024 /nfs/dbraw/zinc/54/30/24/521543024.db2.gz JOCOPUNGTTYYQB-UHFFFAOYSA-N 1 0 263.356 2.790 10 30 CFEERO C#CC[C@H](Cc1ccc(Br)cc1)[NH2+]C ZINC000051074767 518339463 /nfs/dbraw/zinc/33/94/63/518339463.db2.gz FTVHHNWNQZCWDS-GFCCVEGCSA-N 1 0 252.155 2.603 10 30 CFEERO CC(C)(C)[NH2+]CCc1nnc(-c2cccc(C#N)c2)o1 ZINC000050620564 518758935 /nfs/dbraw/zinc/75/89/35/518758935.db2.gz UQUARFDLRNQTTE-UHFFFAOYSA-N 1 0 270.336 2.539 10 30 CFEERO C=CCNC(=O)[C@H](C)[NH2+]C1CCC(CCC)CC1 ZINC000049545533 518923508 /nfs/dbraw/zinc/92/35/08/518923508.db2.gz HHQKYJFHTOKWFM-HSBZDZAISA-N 1 0 252.402 2.626 10 30 CFEERO C=C[C@H](C)Oc1c(OC)cc(C[C@@H](C)[NH3+])cc1OC ZINC000052144346 519300337 /nfs/dbraw/zinc/30/03/37/519300337.db2.gz AOJFMFDCRPQJQJ-MNOVXSKESA-N 1 0 265.353 2.547 10 30 CFEERO CC(C)C[C@H](C[NH+](C)C)Nc1ccc(N)cc1C#N ZINC000049555074 519344592 /nfs/dbraw/zinc/34/45/92/519344592.db2.gz OYJMBFLVBQVDJZ-CQSZACIVSA-N 1 0 260.385 2.529 10 30 CFEERO CC(C)CC[C@@H](C)NC(=O)c1sccc1C#CC[NH3+] ZINC000069235778 519682487 /nfs/dbraw/zinc/68/24/87/519682487.db2.gz SZHMIJOCRJYMRE-GFCCVEGCSA-N 1 0 278.421 2.613 10 30 CFEERO CC(C)[NH2+]CCCOc1c(C#N)cnc2ccccc21 ZINC000051872280 519720419 /nfs/dbraw/zinc/72/04/19/519720419.db2.gz PWJXNESOVAJGAU-UHFFFAOYSA-N 1 0 269.348 2.873 10 30 CFEERO CC(C)[NH2+]CCCc1nnc(-c2cccc(C#N)c2)o1 ZINC000050617411 519721544 /nfs/dbraw/zinc/72/15/44/519721544.db2.gz ZIHYYNWPJAJPID-UHFFFAOYSA-N 1 0 270.336 2.539 10 30 CFEERO CCC[NH2+][C@H](C)c1nnn(-c2cc(C#N)ccc2C)c1C ZINC000050436691 520067377 /nfs/dbraw/zinc/06/73/77/520067377.db2.gz VNOLMNSRRSUYNL-GFCCVEGCSA-N 1 0 283.379 2.816 10 30 CFEERO CC[N@H+](CC(C)C)[C@@H](C/C(N)=N/O)c1ccccc1 ZINC000055020945 520414338 /nfs/dbraw/zinc/41/43/38/520414338.db2.gz PLSMZYVCOVKTOS-AWEZNQCLSA-N 1 0 263.385 2.842 10 30 CFEERO CCCC[N@H+](Cc1ccc(F)c(C#CCO)c1)C1CC1 ZINC000049613888 520544182 /nfs/dbraw/zinc/54/41/82/520544182.db2.gz PEJAGWIHAKQOFK-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO CC[NH+](CC)CCCN[C@@H](CC#N)c1ccccc1 ZINC000055015576 520624321 /nfs/dbraw/zinc/62/43/21/520624321.db2.gz ZNUYADMBXRSCMU-INIZCTEOSA-N 1 0 259.397 2.963 10 30 CFEERO CC[NH+](CC)CCN[C@@]1(C#N)CCC[C@H](C(F)(F)F)C1 ZINC000069384718 520689763 /nfs/dbraw/zinc/68/97/63/520689763.db2.gz SGNFNROKUQUHLF-STQMWFEESA-N 1 0 291.361 2.933 10 30 CFEERO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000069238190 520968413 /nfs/dbraw/zinc/96/84/13/520968413.db2.gz SZQNGVAENGNLIR-GFCCVEGCSA-N 1 0 271.364 2.617 10 30 CFEERO CC[N@H+](CCOc1ccc(C#CCCO)cc1)C(C)C ZINC000049617423 521149627 /nfs/dbraw/zinc/14/96/27/521149627.db2.gz AMUQBWCIRCQDBI-UHFFFAOYSA-N 1 0 275.392 2.530 10 30 CFEERO CCC(C)(C)OCc1cc(C#CC[NH3+])ccc1OC ZINC000049610951 521359863 /nfs/dbraw/zinc/35/98/63/521359863.db2.gz XWIXYPASEZLYML-UHFFFAOYSA-N 1 0 261.365 2.711 10 30 CFEERO CC[N@@H+](Cc1ccccc1C#CCCO)CC1CC1 ZINC000069239034 521375965 /nfs/dbraw/zinc/37/59/65/521375965.db2.gz JPHGEMIBVSZLLO-UHFFFAOYSA-N 1 0 257.377 2.652 10 30 CFEERO CCC[N@H+](Cc1cc(C#CCO)ccc1OC)C(C)C ZINC000049617653 521681055 /nfs/dbraw/zinc/68/10/55/521681055.db2.gz BRGZOVYISAWXGG-UHFFFAOYSA-N 1 0 275.392 2.659 10 30 CFEERO COc1cc(C)ccc1OCc1cccc(C#CC[NH3+])c1 ZINC000049610831 522280723 /nfs/dbraw/zinc/28/07/23/522280723.db2.gz WNWUXSIPCCRVRI-UHFFFAOYSA-N 1 0 281.355 2.893 10 30 CFEERO CC[C@H]1CCCC[N@@H+]1CCOc1cccc(C#CCO)c1 ZINC000049617474 523028719 /nfs/dbraw/zinc/02/87/19/523028719.db2.gz MJJZNHVWBGAEKN-KRWDZBQOSA-N 1 0 287.403 2.674 10 30 CFEERO CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(C#CCO)c1 ZINC000049617494 523029478 /nfs/dbraw/zinc/02/94/78/523029478.db2.gz KYCCKUAIIYKESM-KRWDZBQOSA-N 1 0 287.403 2.804 10 30 CFEERO C[N@H+](Cc1ccc(C#CCCO)cc1F)C1CCCC1 ZINC000049617532 523205288 /nfs/dbraw/zinc/20/52/88/523205288.db2.gz DIAGCVILIPSTQB-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCCCC1=O ZINC000062749623 523298314 /nfs/dbraw/zinc/29/83/14/523298314.db2.gz NNOZZFJUCVCFFV-HNNXBMFYSA-N 1 0 256.349 2.892 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1COc1cccc(F)c1 ZINC000049610562 523516132 /nfs/dbraw/zinc/51/61/32/523516132.db2.gz QWTNGDUEMWHCRH-UHFFFAOYSA-N 1 0 285.318 2.724 10 30 CFEERO C[NH+]1CCC(Oc2cc(Cl)ccc2C#N)CC1 ZINC000062790243 523781722 /nfs/dbraw/zinc/78/17/22/523781722.db2.gz MULUCEKHZCVBIQ-UHFFFAOYSA-N 1 0 250.729 2.685 10 30 CFEERO C[N@@H+]1CCCC[C@@H]1CCNc1ccc(F)c(C#N)c1 ZINC000052206367 523793520 /nfs/dbraw/zinc/79/35/20/523793520.db2.gz NDCJSQFDWAZAHD-CQSZACIVSA-N 1 0 261.344 2.984 10 30 CFEERO CC[C@H](C)[N@H+](C)CCOc1cccc(C#CCCO)c1 ZINC000049617165 523922415 /nfs/dbraw/zinc/92/24/15/523922415.db2.gz MDIOWZFCUDFOBF-HNNXBMFYSA-N 1 0 275.392 2.530 10 30 CFEERO CC[C@H](C)[N@H+](CC)Cc1ccc(F)c(C#CCO)c1 ZINC000049617619 523934126 /nfs/dbraw/zinc/93/41/26/523934126.db2.gz DSIDKGGEETXFNH-ZDUSSCGKSA-N 1 0 263.356 2.790 10 30 CFEERO C[NH+](C)C1CCN([C@@H](CC#N)c2ccccc2)CC1 ZINC000055020201 524040972 /nfs/dbraw/zinc/04/09/72/524040972.db2.gz OKHWGSXCGGHDHB-INIZCTEOSA-N 1 0 257.381 2.667 10 30 CFEERO COc1ccc(C[NH+]2[C@H](C)CCC[C@H]2C)cc1C#CCO ZINC000049616910 524043838 /nfs/dbraw/zinc/04/38/38/524043838.db2.gz JWESJIDAMKYUFE-HUUCEWRRSA-N 1 0 287.403 2.802 10 30 CFEERO COc1ccc(COCCC(C)C)cc1C#CC[NH3+] ZINC000049610612 524112785 /nfs/dbraw/zinc/11/27/85/524112785.db2.gz CGIIOTVRUPPBKY-UHFFFAOYSA-N 1 0 261.365 2.568 10 30 CFEERO COc1ccc(COCc2cccc(C#CC[NH3+])c2)cc1 ZINC000049610859 524117507 /nfs/dbraw/zinc/11/75/07/524117507.db2.gz UUFKTSBWNLAZPM-UHFFFAOYSA-N 1 0 281.355 2.722 10 30 CFEERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C#CCO)cc1F ZINC000049616911 524362500 /nfs/dbraw/zinc/36/25/00/524362500.db2.gz VEVVNQOVFQUPBF-OKILXGFUSA-N 1 0 275.367 2.932 10 30 CFEERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc(C#CCO)c1 ZINC000049616916 524364309 /nfs/dbraw/zinc/36/43/09/524364309.db2.gz LRPVRKATXVMCTM-GASCZTMLSA-N 1 0 257.377 2.793 10 30 CFEERO Cc1ccc(C[N@@H+](C)Cc2ccc(C#CCO)cc2)o1 ZINC000049618179 524396173 /nfs/dbraw/zinc/39/61/73/524396173.db2.gz XXSPXRSYANXDRH-UHFFFAOYSA-N 1 0 269.344 2.564 10 30 CFEERO Cc1ccc(CN(C)Cc2ccc(F)c(C#CC[NH3+])c2)o1 ZINC000049609114 524396218 /nfs/dbraw/zinc/39/62/18/524396218.db2.gz MBLZXDOGKPZKGS-UHFFFAOYSA-N 1 0 286.350 2.669 10 30 CFEERO C[C@@H]1CCC[C@](CO)([NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054829960 524431208 /nfs/dbraw/zinc/43/12/08/524431208.db2.gz OKQAHGGCWBJHEZ-TUVASFSCSA-N 1 0 250.386 2.600 10 30 CFEERO C[C@@H](CCC[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000336809545 524456236 /nfs/dbraw/zinc/45/62/36/524456236.db2.gz FTFDILCUAJBAER-QMMMGPOBSA-N 1 0 272.274 2.511 10 30 CFEERO C[C@@H](NC(=O)c1ccsc1)c1cccc(C#CC[NH3+])c1 ZINC000049587193 525369515 /nfs/dbraw/zinc/36/95/15/525369515.db2.gz VEFVJAYJWQNDEE-GFCCVEGCSA-N 1 0 284.384 2.549 10 30 CFEERO Cc1c(F)cc(C#N)cc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050945030 525795059 /nfs/dbraw/zinc/79/50/59/525795059.db2.gz UIYZVYZEXGSUKN-CYBMUJFWSA-N 1 0 289.354 2.867 10 30 CFEERO Cc1ccc(C#N)cc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050952174 525997243 /nfs/dbraw/zinc/99/72/43/525997243.db2.gz OEOYJNAXJUIZLV-CQSZACIVSA-N 1 0 271.364 2.728 10 30 CFEERO Cc1cnc(SCc2ccc(F)cc2C#CC[NH3+])nc1 ZINC000049612969 526101395 /nfs/dbraw/zinc/10/13/95/526101395.db2.gz RLRUAEHUFGILPV-UHFFFAOYSA-N 1 0 287.363 2.527 10 30 CFEERO COc1cccc(OCc2ccc(F)cc2C#CC[NH3+])c1 ZINC000049610437 526236880 /nfs/dbraw/zinc/23/68/80/526236880.db2.gz BAMCDUSXXOJOJN-UHFFFAOYSA-N 1 0 285.318 2.724 10 30 CFEERO C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#CCCO ZINC000049615760 526251716 /nfs/dbraw/zinc/25/17/16/526251716.db2.gz ALLUNHUYFQYIKF-AWEZNQCLSA-N 1 0 275.367 2.934 10 30 CFEERO C[C@H]1CCCC[C@@H]1OCCOc1cccc(C#CC[NH3+])c1 ZINC000049610691 526259384 /nfs/dbraw/zinc/25/93/84/526259384.db2.gz LACGVDPGWDCLSX-YJBOKZPZSA-N 1 0 287.403 2.971 10 30 CFEERO Cc1nn(Cc2cc(C#CC[NH3+])cs2)c(C)c1Cl ZINC000050587873 526287157 /nfs/dbraw/zinc/28/71/57/526287157.db2.gz HJYVPJZUNFMGPU-UHFFFAOYSA-N 1 0 279.796 2.573 10 30 CFEERO N#Cc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1F ZINC000191978750 526612078 /nfs/dbraw/zinc/61/20/78/526612078.db2.gz VSGDOTZADJHKNR-UHFFFAOYSA-N 1 0 284.338 2.800 10 30 CFEERO N#Cc1ccc(OCc2ccc(F)c(C#CC[NH3+])c2)cc1 ZINC000049610536 526677239 /nfs/dbraw/zinc/67/72/39/526677239.db2.gz QHSZMHLCDQBYTB-UHFFFAOYSA-N 1 0 280.302 2.587 10 30 CFEERO N#Cc1ccc(OCc2ccc(F)cc2C#CC[NH3+])cc1 ZINC000049610535 526677820 /nfs/dbraw/zinc/67/78/20/526677820.db2.gz KUBVJESQFXZLJX-UHFFFAOYSA-N 1 0 280.302 2.587 10 30 CFEERO N#Cc1cccnc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702223 526755010 /nfs/dbraw/zinc/75/50/10/526755010.db2.gz QEEHOMDDDDKMNG-MRXNPFEDSA-N 1 0 279.343 2.607 10 30 CFEERO [NH3+]CC#Cc1ccc(CN2CCc3ccccc32)c(F)c1 ZINC000049608618 527148364 /nfs/dbraw/zinc/14/83/64/527148364.db2.gz SJJBXHHBXTVSBC-UHFFFAOYSA-N 1 0 280.346 2.699 10 30 CFEERO [NH3+]CC#Cc1cccc(COCc2ccccc2F)c1 ZINC000069285287 527153116 /nfs/dbraw/zinc/15/31/16/527153116.db2.gz FQBVZOKMGIHUSH-UHFFFAOYSA-N 1 0 269.319 2.853 10 30 CFEERO [NH3+]CC#Cc1cccc(CSc2nccs2)c1 ZINC000049612868 527153511 /nfs/dbraw/zinc/15/35/11/527153511.db2.gz YLYOTTPUAAOQGU-UHFFFAOYSA-N 1 0 260.387 2.746 10 30 CFEERO [NH3+]CC#Cc1ccccc1CSc1ccccn1 ZINC000049611378 527154358 /nfs/dbraw/zinc/15/43/58/527154358.db2.gz CICCYOXHMYPGEG-UHFFFAOYSA-N 1 0 254.358 2.684 10 30 CFEERO Cc1nc2ccccc2n1Cc1cccc(C#CC[NH3+])c1 ZINC000049610029 527171873 /nfs/dbraw/zinc/17/18/73/527171873.db2.gz FLYLJTYCQCFYQP-UHFFFAOYSA-N 1 0 275.355 2.703 10 30 CFEERO OCCC#Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000049616151 527531224 /nfs/dbraw/zinc/53/12/24/527531224.db2.gz RXQUQCFFLRPCFY-UHFFFAOYSA-N 1 0 257.377 2.797 10 30 CFEERO C[C@H]1C[C@H](C)C[NH+](Cc2cc(C#CCO)cs2)C1 ZINC000043698479 570261754 /nfs/dbraw/zinc/26/17/54/570261754.db2.gz CUMSSNUXGHVJEA-STQMWFEESA-N 1 0 263.406 2.570 10 30 CFEERO C[NH+]=C(N[C@@H](C)c1ccc(OCC(C)C)cc1)N(C)C ZINC000261756313 618135967 /nfs/dbraw/zinc/13/59/67/618135967.db2.gz MLZXYBQUKORUFZ-ZDUSSCGKSA-N 1 0 277.412 2.919 10 30 CFEERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000309862774 618249645 /nfs/dbraw/zinc/24/96/45/618249645.db2.gz OBDQMBHJZPTKBQ-VXGBXAGGSA-N 1 0 281.400 2.572 10 30 CFEERO C#CCC[NH2+]Cc1ccc(OC(F)F)c(OCC)c1 ZINC000070245768 625290216 /nfs/dbraw/zinc/29/02/16/625290216.db2.gz FZACQNOWBDKLFQ-UHFFFAOYSA-N 1 0 269.291 2.800 10 30 CFEERO CCCCCCCCCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232931991 619180161 /nfs/dbraw/zinc/18/01/61/619180161.db2.gz UDPYHJFSPRCYSW-KGLIPLIRSA-N 1 0 254.418 2.933 10 30 CFEERO CC(C)[C@H]([NH3+])CCN(C)c1nc2ccccc2cc1C#N ZINC000156782350 622965245 /nfs/dbraw/zinc/96/52/45/622965245.db2.gz JCOWPYGYUCYDKF-OAHLLOKOSA-N 1 0 282.391 2.916 10 30 CFEERO CCCCCCCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170867772 624981477 /nfs/dbraw/zinc/98/14/77/624981477.db2.gz MENHOSZPBBBUFG-CQSZACIVSA-N 1 0 254.418 2.900 10 30 CFEERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)C1 ZINC000249615546 625113103 /nfs/dbraw/zinc/11/31/03/625113103.db2.gz ZQMLGFZMBNCQAK-GDBMZVCRSA-N 1 0 287.407 2.724 10 30 CFEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000119191397 637523352 /nfs/dbraw/zinc/52/33/52/637523352.db2.gz KNEOOLABZPIVQQ-LSDHHAIUSA-N 1 0 286.419 2.674 10 30 CFEERO CC[NH+]=C(NCC(C)(C)c1cccs1)N[C@@H]1C[C@H]1C ZINC000080835580 650710594 /nfs/dbraw/zinc/71/05/94/650710594.db2.gz ZIFCQCPARYOLGL-VXGBXAGGSA-N 1 0 279.453 2.989 10 30 CFEERO CCN1CCC[C@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245834613 650837787 /nfs/dbraw/zinc/83/77/87/650837787.db2.gz BPFVIYINGLAZJF-ZBFHGGJFSA-N 1 0 287.407 2.551 10 30 CFEERO CCCCCCCC[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246584108 650874884 /nfs/dbraw/zinc/87/48/84/650874884.db2.gz WGVIMIUSFYOTFG-SJORKVTESA-N 1 0 282.472 2.999 10 30 CFEERO CCCCCCC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000247036303 650895500 /nfs/dbraw/zinc/89/55/00/650895500.db2.gz PQHXVUKCIOIYPU-CVEARBPZSA-N 1 0 270.461 2.734 10 30 CFEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000131348512 645705363 /nfs/dbraw/zinc/70/53/63/645705363.db2.gz MQTIXYXAYMFXHR-STQMWFEESA-N 1 0 276.405 2.915 10 30 CFEERO N#Cc1ccc(OCCC[N@@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000117690393 651287178 /nfs/dbraw/zinc/28/71/78/651287178.db2.gz BLVRCJXNOCVKLA-GOEBONIOSA-N 1 0 256.349 2.811 10 30 CFEERO C[C@@H]1CCC[C@@H](NC(=O)C[N+](C)(C)C2CCCC2)[C@@H]1C ZINC000029413635 717118560 /nfs/dbraw/zinc/11/85/60/717118560.db2.gz NQPZKUIVZLKPNB-IIAWOOMASA-O 1 0 281.464 2.946 10 30 CFEERO C=CC[C@H]1CCC[N@@H+](Cc2ncccc2C(=O)OC)C1 ZINC000595657605 349692077 /nfs/dbraw/zinc/69/20/77/349692077.db2.gz CRJMKGYQDRIGEX-ZDUSSCGKSA-N 1 0 274.364 2.656 10 30 CFEERO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C#N)C1CCCC1 ZINC000595687405 349700273 /nfs/dbraw/zinc/70/02/73/349700273.db2.gz CKPSYTQSYVTLGM-RBSFLKMASA-N 1 0 250.386 2.864 10 30 CFEERO COc1c(C(C)(C)C)cc(C(N)=[NH+]N)cc1C(C)(C)C ZINC000034057440 346314002 /nfs/dbraw/zinc/31/40/02/346314002.db2.gz XCMHOXBPWJVUKL-UHFFFAOYSA-N 1 0 277.412 2.869 10 30 CFEERO CC[C@](C)([NH3+])C#Cc1c[nH]c2cncc(Br)c12 ZINC000725246260 539560981 /nfs/dbraw/zinc/56/09/81/539560981.db2.gz SSPLTOWVBZKSJT-ZDUSSCGKSA-N 1 0 292.180 2.804 10 30 CFEERO Cc1cccc[n+]1[C@H](C#N)C(=S)Nc1ccccc1 ZINC000096474716 347702355 /nfs/dbraw/zinc/70/23/55/347702355.db2.gz XBZRPWNFSCZKCG-CQSZACIVSA-O 1 0 268.365 2.787 10 30 CFEERO CC(C)(CCC#N)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000122129336 347814916 /nfs/dbraw/zinc/81/49/16/347814916.db2.gz URWJUMLPCHUNHG-UHFFFAOYSA-N 1 0 274.412 2.925 10 30 CFEERO CC[C@@H]1CN(c2cc(Cl)ccc2C#N)CC[C@@H]1[NH3+] ZINC000123028170 347817947 /nfs/dbraw/zinc/81/79/47/347817947.db2.gz QBKSSFRHTWYAPO-MFKMUULPSA-N 1 0 263.772 2.775 10 30 CFEERO C#C[C@@H]([NH2+]C)c1ccc(Br)c(Cl)c1 ZINC000130291979 347869509 /nfs/dbraw/zinc/86/95/09/347869509.db2.gz YQSBLTSNHLKTHZ-SNVBAGLBSA-N 1 0 258.546 2.996 10 30 CFEERO CCCCC[C@@H](C#CC[NH+](CC)CC)OC(C)=O ZINC000144338528 347940833 /nfs/dbraw/zinc/94/08/33/347940833.db2.gz WOWBCSYGICCHLZ-HNNXBMFYSA-N 1 0 253.386 2.844 10 30 CFEERO N#Cc1cc2ccccc2c(=O)c2cc(C[NH3+])ccc21 ZINC000137430257 347913499 /nfs/dbraw/zinc/91/34/99/347913499.db2.gz CPLDWLDZAUVSCM-UHFFFAOYSA-N 1 0 260.296 2.684 10 30 CFEERO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000165473325 348039970 /nfs/dbraw/zinc/03/99/70/348039970.db2.gz FMIKJXPCAFVWSX-MRXNPFEDSA-N 1 0 258.365 2.604 10 30 CFEERO C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000172908661 348103976 /nfs/dbraw/zinc/10/39/76/348103976.db2.gz WOTYXAICLFEFFG-IRXDYDNUSA-N 1 0 290.451 2.969 10 30 CFEERO CC[N@@H+]1CCC[C@@](C#N)(Nc2ccc(OC)cc2)CC1 ZINC000086849065 179358093 /nfs/dbraw/zinc/35/80/93/179358093.db2.gz GYOAJDYYHRKSMB-MRXNPFEDSA-N 1 0 273.380 2.875 10 30 CFEERO CC[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC[C@H]1[NH3+] ZINC000251740007 348293566 /nfs/dbraw/zinc/29/35/66/348293566.db2.gz KVBVKGRDGWNFAC-MWLCHTKSSA-N 1 0 298.312 2.536 10 30 CFEERO C=C(C)[C@@H]([NH3+])c1sccc1I ZINC000307417391 348399273 /nfs/dbraw/zinc/39/92/73/348399273.db2.gz OLPGCACRPBQYQI-SSDOTTSWSA-N 1 0 279.146 2.929 10 30 CFEERO CC#CC[C@H]([NH3+])c1sccc1I ZINC000307591228 348400852 /nfs/dbraw/zinc/40/08/52/348400852.db2.gz CELZAJLCDRHAHP-QMMMGPOBSA-N 1 0 291.157 2.766 10 30 CFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000313292686 348422833 /nfs/dbraw/zinc/42/28/33/348422833.db2.gz IFXNWSRHPYFOHO-CABCVRRESA-N 1 0 250.386 2.865 10 30 CFEERO N#Cc1ccc(Oc2c[nH]nc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000584599175 348685118 /nfs/dbraw/zinc/68/51/18/348685118.db2.gz QPIMMRJMQVCLPX-GFCCVEGCSA-N 1 0 268.320 2.541 10 30 CFEERO CN(C)c1ccc([N+](=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000584614872 348690770 /nfs/dbraw/zinc/69/07/70/348690770.db2.gz OFYMXSBTLYVXPJ-BOPFTXTBSA-N 1 0 285.303 2.922 10 30 CFEERO N#CCOc1cccc(N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089143024 179721601 /nfs/dbraw/zinc/72/16/01/179721601.db2.gz UCJGRSZGRLOYJO-WFASDCNBSA-N 1 0 259.353 2.518 10 30 CFEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)s1 ZINC000594428886 349419421 /nfs/dbraw/zinc/41/94/21/349419421.db2.gz PQKSEYCXYPJMNE-UWVGGRQHSA-N 1 0 299.827 2.990 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C[NH3+] ZINC000600961001 350638161 /nfs/dbraw/zinc/63/81/61/350638161.db2.gz KJZARBAYIAWVFT-MWLCHTKSSA-N 1 0 283.297 2.608 10 30 CFEERO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(C#N)cs3)C2)c1 ZINC000123093182 187070971 /nfs/dbraw/zinc/07/09/71/187070971.db2.gz MXRUEAAVRBTSLC-AWEZNQCLSA-N 1 0 286.404 2.962 10 30 CFEERO C[C@H]1CN(c2cccc(Cl)c2C#N)C[C@@H]1[NH+](C)C ZINC000124038262 187120148 /nfs/dbraw/zinc/12/01/48/187120148.db2.gz YVAABUHRFYTQEI-HZMBPMFUSA-N 1 0 263.772 2.598 10 30 CFEERO C[C@H]1CN(c2cc(Cl)ccc2C#N)C[C@@H]1[NH+](C)C ZINC000123991201 187117714 /nfs/dbraw/zinc/11/77/14/187117714.db2.gz FPOJHURMAJIHAE-HZMBPMFUSA-N 1 0 263.772 2.598 10 30 CFEERO N#Cc1cc(Cl)ccc1N1CCC(OCCC[NH3+])CC1 ZINC000094073359 283094324 /nfs/dbraw/zinc/09/43/24/283094324.db2.gz GRVFAZJXFHPJOX-UHFFFAOYSA-N 1 0 293.798 2.546 10 30 CFEERO N#Cc1ccc(N2CCC[C@H]2C[NH3+])cc1C(F)(F)F ZINC000132005611 283159823 /nfs/dbraw/zinc/15/98/23/283159823.db2.gz DHJUWZMDENZTIB-NSHDSACASA-N 1 0 269.270 2.505 10 30 CFEERO N#Cc1cnc2ccccc2c1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038051114 283243409 /nfs/dbraw/zinc/24/34/09/283243409.db2.gz ATLJOLYHBAWLLO-ZFWWWQNUSA-N 1 0 266.348 2.788 10 30 CFEERO C=CCCC[C@@H](C[NH2+]C1CC1)NC(=O)OC(C)(C)C ZINC000675051097 540631879 /nfs/dbraw/zinc/63/18/79/540631879.db2.gz LHTGKZHHVZZQFE-ZDUSSCGKSA-N 1 0 268.401 2.988 10 30 CFEERO N#C[C@H]1CCOC12CC[NH+](Cc1ccccc1)CC2 ZINC000675080715 540676872 /nfs/dbraw/zinc/67/68/72/540676872.db2.gz TYNVPTUAOFEZIL-OAHLLOKOSA-N 1 0 256.349 2.581 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(OC)c(C#N)c1 ZINC000180834915 189278255 /nfs/dbraw/zinc/27/82/55/189278255.db2.gz RMUZRVRLQHTIHR-DLBZAZTESA-N 1 0 299.418 2.625 10 30 CFEERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cccc(C#N)c1 ZINC000252881726 299365248 /nfs/dbraw/zinc/36/52/48/299365248.db2.gz TWSAYJNZBUSJNV-APHBMKBZSA-N 1 0 258.365 2.902 10 30 CFEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000042269360 372897917 /nfs/dbraw/zinc/89/79/17/372897917.db2.gz QDVGJVCADGIAKD-RKDXNWHRSA-N 1 0 272.801 2.743 10 30 CFEERO C#CC[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000045945277 373039397 /nfs/dbraw/zinc/03/93/97/373039397.db2.gz ARZZLQHWSXBHDX-UHFFFAOYSA-N 1 0 281.355 2.997 10 30 CFEERO C[C@H](Nc1c(C#N)cnc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000050164077 373360137 /nfs/dbraw/zinc/36/01/37/373360137.db2.gz RPGYDVKIAJCNSE-QWHCGFSZSA-N 1 0 280.375 2.906 10 30 CFEERO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)cc1OC ZINC000061891568 373736251 /nfs/dbraw/zinc/73/62/51/373736251.db2.gz DAVOCTOUZXQCEK-CFVMTHIKSA-N 1 0 288.391 2.917 10 30 CFEERO C[C@@H](Nc1cc(C#N)c2ccccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000068770912 374038988 /nfs/dbraw/zinc/03/89/88/374038988.db2.gz YKSRXWVUDHMQTR-CHWSQXEVSA-N 1 0 280.375 2.906 10 30 CFEERO N#Cc1cc(NC[C@@H]2CCC[NH2+]C2)nc2ccccc12 ZINC000068770849 374039148 /nfs/dbraw/zinc/03/91/48/374039148.db2.gz IXIQDCKHPRPZAK-GFCCVEGCSA-N 1 0 266.348 2.518 10 30 CFEERO C=CCC[C@H](C[NH+]1CCSCC1)Oc1ccnc(C)n1 ZINC000072431438 374251774 /nfs/dbraw/zinc/25/17/74/374251774.db2.gz XPDPHCVAADTIHM-CQSZACIVSA-N 1 0 293.436 2.547 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cccc(F)c1C#N ZINC000093232601 375198325 /nfs/dbraw/zinc/19/83/25/375198325.db2.gz BQXBIBLKXNEFPH-GFCCVEGCSA-N 1 0 261.344 2.618 10 30 CFEERO Cn1cc([C@@H]2CC[N@H+](CC(C)(C)CCC#N)C2)cn1 ZINC000128557376 377346998 /nfs/dbraw/zinc/34/69/98/377346998.db2.gz FQURUDJWBLZIQQ-CYBMUJFWSA-N 1 0 260.385 2.539 10 30 CFEERO CC(C)CN1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000130762639 377608956 /nfs/dbraw/zinc/60/89/56/377608956.db2.gz PEIPKOPJULBYME-CYBMUJFWSA-N 1 0 277.437 2.830 10 30 CFEERO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000151172104 378304125 /nfs/dbraw/zinc/30/41/25/378304125.db2.gz AFFAHJLYBLWJMA-HNNXBMFYSA-N 1 0 264.413 2.698 10 30 CFEERO Cc1cc(C#N)cc(N[C@@H](C[NH3+])C2CCCCC2)n1 ZINC000161786509 378872538 /nfs/dbraw/zinc/87/25/38/378872538.db2.gz OOLDUGQZOHONKC-AWEZNQCLSA-N 1 0 258.369 2.581 10 30 CFEERO N#CCc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000334419583 379267314 /nfs/dbraw/zinc/26/73/14/379267314.db2.gz QCIXSMHOWJHNTB-DLBZAZTESA-N 1 0 270.376 2.896 10 30 CFEERO N#Cc1c(Br)cccc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000335581970 379554199 /nfs/dbraw/zinc/55/41/99/379554199.db2.gz ORINBQNEFXNEMC-ZJUUUORDSA-N 1 0 294.196 2.860 10 30 CFEERO COC(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177105878 380305224 /nfs/dbraw/zinc/30/52/24/380305224.db2.gz XYIRZMDLIJCHET-CQSZACIVSA-N 1 0 291.778 2.577 10 30 CFEERO CCCC[C@H](C[NH3+])Nc1ncc(Br)cc1C#N ZINC000336720563 380611843 /nfs/dbraw/zinc/61/18/43/380611843.db2.gz SDCPWZLQKSVJQP-LLVKDONJSA-N 1 0 297.200 2.645 10 30 CFEERO CCc1ccc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1 ZINC000181475000 380801293 /nfs/dbraw/zinc/80/12/93/380801293.db2.gz OJTAZDREXZAEPN-CQSZACIVSA-N 1 0 287.407 2.662 10 30 CFEERO C[C@H](Nc1cccc(OCCCC#N)c1)[C@@H]1CC[NH2+]C1 ZINC000400452845 380861368 /nfs/dbraw/zinc/86/13/68/380861368.db2.gz RMZGVENLQKXTKB-UONOGXRCSA-N 1 0 273.380 2.779 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)s1 ZINC000182076132 380986061 /nfs/dbraw/zinc/98/60/61/380986061.db2.gz OPCJFBFSTKJJEX-QWHCGFSZSA-N 1 0 275.421 2.678 10 30 CFEERO C[C@@H]1CC(C[NH2+]Cc2cc(C#N)cs2)C[C@@H](C)O1 ZINC000341447561 381018289 /nfs/dbraw/zinc/01/82/89/381018289.db2.gz AJXWHCCZGLJZOC-GHMZBOCLSA-N 1 0 264.394 2.913 10 30 CFEERO CN(C)C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185761785 381726016 /nfs/dbraw/zinc/72/60/16/381726016.db2.gz LALMHGFCUTUIHK-UAGQMJEPSA-N 1 0 271.408 2.961 10 30 CFEERO N#Cc1cc2c(nc1N[C@@H]1CCCC[C@@H]1[NH3+])CCCC2 ZINC000043409830 184559485 /nfs/dbraw/zinc/55/94/85/184559485.db2.gz GFKBTJDKBQYWTG-DZGCQCFKSA-N 1 0 270.380 2.514 10 30 CFEERO CC1(C)CN(c2cccc(Br)c2C#N)CC[NH2+]1 ZINC000395956527 382630800 /nfs/dbraw/zinc/63/08/00/382630800.db2.gz BEUFZCQYKVWVDW-UHFFFAOYSA-N 1 0 294.196 2.509 10 30 CFEERO CCCCCCC[N@@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000192014293 382704200 /nfs/dbraw/zinc/70/42/00/382704200.db2.gz NBGPJHGPZIWMOJ-OAHLLOKOSA-N 1 0 284.444 2.828 10 30 CFEERO CN(CC(C)(C)C[NH3+])c1ccc(Br)cc1C#N ZINC000229253401 382851055 /nfs/dbraw/zinc/85/10/55/382851055.db2.gz PZKDBSKJTYASPI-UHFFFAOYSA-N 1 0 296.212 2.742 10 30 CFEERO CC#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248401448 383236204 /nfs/dbraw/zinc/23/62/04/383236204.db2.gz ZMGXYALXQLKPNI-RRFJBIMHSA-N 1 0 292.423 2.635 10 30 CFEERO C[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)[C@H]1C[NH3+] ZINC000252205467 383405833 /nfs/dbraw/zinc/40/58/33/383405833.db2.gz VAOMYBPRYKKBCM-YGRLFVJLSA-N 1 0 263.772 2.775 10 30 CFEERO N#Cc1cccc(C[N@H+]2C[C@H](CO)[C@@H](c3ccsc3)C2)c1 ZINC000249556947 383350460 /nfs/dbraw/zinc/35/04/60/383350460.db2.gz KDHNOJRDOAWOSY-IAGOWNOFSA-N 1 0 298.411 2.828 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cccc(C#N)c1 ZINC000252661555 383424317 /nfs/dbraw/zinc/42/43/17/383424317.db2.gz LZXODYGWYBGBDR-PBHICJAKSA-N 1 0 269.392 2.617 10 30 CFEERO N#Cc1ccc([N+](=O)[O-])c(NCC2([NH3+])CCCCC2)c1 ZINC000261850697 383570417 /nfs/dbraw/zinc/57/04/17/383570417.db2.gz WRGKWUFHKGLNOE-UHFFFAOYSA-N 1 0 274.324 2.540 10 30 CFEERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000282384563 385298149 /nfs/dbraw/zinc/29/81/49/385298149.db2.gz XPEFNDRDUIJMTA-YWVIFJGQSA-N 1 0 258.365 2.851 10 30 CFEERO C=C(C)CN(C)c1cc(N2CCC[C@@H](C)C2)ncn1 ZINC000302076669 393488581 /nfs/dbraw/zinc/48/85/81/393488581.db2.gz YMTLBZNJCSNSAE-CYBMUJFWSA-N 1 0 260.385 2.725 10 30 CFEERO Cc1ccc(OCCCC[NH2+]CCS)cc1C ZINC000216080423 393755360 /nfs/dbraw/zinc/75/53/60/393755360.db2.gz TYTSJNRLOYMHHJ-UHFFFAOYSA-N 1 0 253.411 2.982 10 30 CFEERO CC(C)(CCC#N)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000120335863 393932996 /nfs/dbraw/zinc/93/29/96/393932996.db2.gz BBIPTUHWLZFFPO-UHFFFAOYSA-N 1 0 287.411 2.683 10 30 CFEERO C[C@H](C[NH3+])CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000420223166 394098165 /nfs/dbraw/zinc/09/81/65/394098165.db2.gz ZJQPMDBAKXATEF-MRVPVSSYSA-N 1 0 257.259 2.584 10 30 CFEERO Cn1cc([C@@H]2CC[N@H+](CCCC(C)(C)C#N)C2)cn1 ZINC000174866189 394379895 /nfs/dbraw/zinc/37/98/95/394379895.db2.gz GVFDQTLFXKATSJ-CYBMUJFWSA-N 1 0 260.385 2.539 10 30 CFEERO Cc1ccc(/C=[N+](\O)[C@H]2N(C)C(=S)SC2(C)C)cc1 ZINC000165854453 292041901 /nfs/dbraw/zinc/04/19/01/292041901.db2.gz BMJREKMJPFLLFJ-DZZSIBQASA-N 1 0 295.453 2.884 10 30 CFEERO C=C(C[N+](CC)(CC)CC)P(=O)(OC)OC ZINC000036429790 172635311 /nfs/dbraw/zinc/63/53/11/172635311.db2.gz SIOIVNRARNWSPK-UHFFFAOYSA-N 1 0 250.299 2.863 10 30 CFEERO C#CC[NH+]1CCC(Nc2ccc(F)cc2Cl)CC1 ZINC000037250291 173061794 /nfs/dbraw/zinc/06/17/94/173061794.db2.gz CMGYQOUDSHSSOL-UHFFFAOYSA-N 1 0 266.747 2.989 10 30 CFEERO Cc1cccc(COc2ccccc2C#CC[NH3+])c1 ZINC000037547909 173264482 /nfs/dbraw/zinc/26/44/82/173264482.db2.gz KAGBLKHBDVZJIE-UHFFFAOYSA-N 1 0 251.329 2.884 10 30 CFEERO N#Cc1ccc([C@@H](O)C[NH2+]CCC2CCCC2)cc1 ZINC000037741179 173662614 /nfs/dbraw/zinc/66/26/14/173662614.db2.gz NUDNUADFJWYOFB-INIZCTEOSA-N 1 0 258.365 2.762 10 30 CFEERO C=CCSc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000037764424 173691162 /nfs/dbraw/zinc/69/11/62/173691162.db2.gz SXDSTIQHNWVXGE-GFCCVEGCSA-N 1 0 276.405 2.903 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000659331142 414501351 /nfs/dbraw/zinc/50/13/51/414501351.db2.gz DYATYIFFONNPPZ-BARDWOONSA-N 1 0 264.413 2.613 10 30 CFEERO CCOC1CC[NH+]([C@H]2CCCCC[C@H]2C#N)CC1 ZINC000040689434 174376627 /nfs/dbraw/zinc/37/66/27/174376627.db2.gz WDIKCIUBXWLNQO-ZFWWWQNUSA-N 1 0 250.386 2.960 10 30 CFEERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CCC#N ZINC000043051141 174959156 /nfs/dbraw/zinc/95/91/56/174959156.db2.gz SRNACJQQWXWCPN-UONOGXRCSA-N 1 0 265.788 2.964 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1cccc(C#N)c1)c1ccncc1 ZINC000043355755 175023721 /nfs/dbraw/zinc/02/37/21/175023721.db2.gz KPUAZOFMFVXXQC-JKSUJKDBSA-N 1 0 267.332 2.811 10 30 CFEERO Cc1ccc([C@H](Oc2cccc(C#N)c2)[C@@H](C)[NH3+])o1 ZINC000043366522 175027381 /nfs/dbraw/zinc/02/73/81/175027381.db2.gz BCZISSXVCLHESU-IAQYHMDHSA-N 1 0 256.305 2.927 10 30 CFEERO C[C@H](C#N)Oc1c(Cl)cc(Cl)cc1CC[NH3+] ZINC000043518467 175061521 /nfs/dbraw/zinc/06/15/21/175061521.db2.gz UWKKUQVXPBOMPV-SSDOTTSWSA-N 1 0 259.136 2.785 10 30 CFEERO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC2)cc1Cl ZINC000043513933 175061722 /nfs/dbraw/zinc/06/17/22/175061722.db2.gz RFAUBGFACKAIPZ-VIFPVBQESA-N 1 0 250.729 2.883 10 30 CFEERO CC[C@@H](C#N)Oc1ccc(OC)cc1C[NH2+]C(C)C ZINC000043538670 175064037 /nfs/dbraw/zinc/06/40/37/175064037.db2.gz WSPGIGPYZHNLFQ-ZDUSSCGKSA-N 1 0 262.353 2.874 10 30 CFEERO C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043582618 175070125 /nfs/dbraw/zinc/07/01/25/175070125.db2.gz LJZDVIBCHRADPK-BETUJISGSA-N 1 0 288.366 2.539 10 30 CFEERO OCC#Cc1ccsc1C[N@@H+]1CCc2ccccc2C1 ZINC000043679128 175089711 /nfs/dbraw/zinc/08/97/11/175089711.db2.gz OQPQCUXREVDQHF-UHFFFAOYSA-N 1 0 283.396 2.650 10 30 CFEERO OCCC#Cc1ccsc1C[NH+]1CCCCCC1 ZINC000043678923 175089915 /nfs/dbraw/zinc/08/99/15/175089915.db2.gz FRODENAZMGKLME-UHFFFAOYSA-N 1 0 263.406 2.858 10 30 CFEERO C[C@H]1CCCC[N@@H+]1Cc1sccc1C#CCCO ZINC000043678843 175089996 /nfs/dbraw/zinc/08/99/96/175089996.db2.gz JRHAIYYELNGPTH-ZDUSSCGKSA-N 1 0 263.406 2.856 10 30 CFEERO CC[C@H]1CCCC[N@@H+]1Cc1sccc1C#CCO ZINC000043679434 175090216 /nfs/dbraw/zinc/09/02/16/175090216.db2.gz WYYSBZDPHAKHBQ-AWEZNQCLSA-N 1 0 263.406 2.856 10 30 CFEERO CCC[N@H+](Cc1sccc1C#CCCO)C1CC1 ZINC000043679495 175090640 /nfs/dbraw/zinc/09/06/40/175090640.db2.gz IANGQRNSZHSHSA-UHFFFAOYSA-N 1 0 263.406 2.856 10 30 CFEERO CCCN(Cc1sccc1C#CC[NH3+])CC(F)(F)F ZINC000043684268 175092961 /nfs/dbraw/zinc/09/29/61/175092961.db2.gz FFQSVBKQDQXKJP-UHFFFAOYSA-N 1 0 290.354 2.833 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2ccc([N+](=O)[O-])cc2)s1 ZINC000043685339 175093814 /nfs/dbraw/zinc/09/38/14/175093814.db2.gz BRPRWJACZHNHOZ-UHFFFAOYSA-N 1 0 288.328 2.546 10 30 CFEERO Cc1ccc(OCc2ccc(C#CC[NH3+])s2)cc1 ZINC000043684980 175094183 /nfs/dbraw/zinc/09/41/83/175094183.db2.gz VQFAITQYGLECPE-UHFFFAOYSA-N 1 0 257.358 2.946 10 30 CFEERO N#Cc1cccc(OCc2sccc2C#CC[NH3+])c1 ZINC000043684975 175094185 /nfs/dbraw/zinc/09/41/85/175094185.db2.gz NNVKEYWXJJHNDF-UHFFFAOYSA-N 1 0 268.341 2.509 10 30 CFEERO [NH3+]CC#Cc1ccsc1COc1ccccc1[N+](=O)[O-] ZINC000043685349 175094204 /nfs/dbraw/zinc/09/42/04/175094204.db2.gz BNNHPNRUUKTNGQ-UHFFFAOYSA-N 1 0 288.328 2.546 10 30 CFEERO [NH3+]CC#Cc1csc(Cn2ccnc2-c2ccccc2)c1 ZINC000043689201 175096146 /nfs/dbraw/zinc/09/61/46/175096146.db2.gz HENITMKPPSIVRW-UHFFFAOYSA-N 1 0 293.395 2.970 10 30 CFEERO C[C@@H]([N@H+](C)Cc1cc(C#CCO)cs1)C(C)(C)C ZINC000043698769 175096972 /nfs/dbraw/zinc/09/69/72/175096972.db2.gz MPTPKODRODXOOF-GFCCVEGCSA-N 1 0 265.422 2.958 10 30 CFEERO N#Cc1cnc2ccccc2c1NC[C@@H]1CCC[NH2+]C1 ZINC000044503203 175186396 /nfs/dbraw/zinc/18/63/96/175186396.db2.gz XQCWBTZWDQHQKF-GFCCVEGCSA-N 1 0 266.348 2.518 10 30 CFEERO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCCN1C ZINC000044561052 175205188 /nfs/dbraw/zinc/20/51/88/175205188.db2.gz UBEPXCZNWGZTBR-INIZCTEOSA-N 1 0 274.408 2.825 10 30 CFEERO C[N@@H+]1CCCC[C@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000044563230 175206476 /nfs/dbraw/zinc/20/64/76/175206476.db2.gz RQQVRVPBZIOQBN-HNNXBMFYSA-N 1 0 284.407 2.728 10 30 CFEERO C[N@H+](Cc1sccc1C#CCCO)CC(C)(C)C ZINC000045086835 175304502 /nfs/dbraw/zinc/30/45/02/175304502.db2.gz DWDKHKLDOMBYPG-UHFFFAOYSA-N 1 0 265.422 2.960 10 30 CFEERO C=C(Br)C[NH2+]CCOCCC(C)C ZINC000045106792 175307913 /nfs/dbraw/zinc/30/79/13/175307913.db2.gz QDOQVGCQPOKUMU-UHFFFAOYSA-N 1 0 250.180 2.547 10 30 CFEERO C[C@@H](Cc1cccs1)[NH2+]Cc1cccnc1C#N ZINC000071269987 176103230 /nfs/dbraw/zinc/10/32/30/176103230.db2.gz SRHFUZGDBLTEOT-NSHDSACASA-N 1 0 257.362 2.736 10 30 CFEERO CCCN(c1ccc(C#N)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071332403 176125705 /nfs/dbraw/zinc/12/57/05/176125705.db2.gz XMRJQMRXLPFXNJ-CYBMUJFWSA-N 1 0 263.772 2.790 10 30 CFEERO N#Cc1ccc(N[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000071397720 176151098 /nfs/dbraw/zinc/15/10/98/176151098.db2.gz XSIAAEJMVNIFBI-LLVKDONJSA-N 1 0 269.270 2.741 10 30 CFEERO C[NH+](C)CCCN1C(=O)c2ccc(C(C)(C)C)cc2[C@H]1C#N ZINC000071680281 176244959 /nfs/dbraw/zinc/24/49/59/176244959.db2.gz XEYPDLJOZPSLQV-MRXNPFEDSA-N 1 0 299.418 2.956 10 30 CFEERO CC[C@@H](CC[NH3+])CCC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000079208805 177446319 /nfs/dbraw/zinc/44/63/19/177446319.db2.gz QSKZPMOGDJHDNY-ZIAGYGMSSA-N 1 0 287.407 2.891 10 30 CFEERO C=CCN(CCc1ccccc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000153314432 260694983 /nfs/dbraw/zinc/69/49/83/260694983.db2.gz BEMSSGAOAPRWDA-IRXDYDNUSA-N 1 0 286.419 2.761 10 30 CFEERO CC1(C)CN(c2ccc(C(F)(F)F)cc2C#N)CC[NH2+]1 ZINC000212718208 273585161 /nfs/dbraw/zinc/58/51/61/273585161.db2.gz OCGLBOQSKKVNJS-UHFFFAOYSA-N 1 0 283.297 2.765 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)c1nc(C)c(C#N)cc1Cl ZINC000336829845 276377639 /nfs/dbraw/zinc/37/76/39/276377639.db2.gz DPXMANFIMUOSQV-ZDUSSCGKSA-N 1 0 292.814 2.836 10 30 CFEERO CC1(C)CN(c2ccc(Cl)cc2C#N)CC[C@H]1[NH3+] ZINC000261583761 278343250 /nfs/dbraw/zinc/34/32/50/278343250.db2.gz RYDIUYXPXRSHLB-CYBMUJFWSA-N 1 0 263.772 2.775 10 30 CFEERO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc(C(F)(F)F)cc1C#N ZINC000216234513 278475106 /nfs/dbraw/zinc/47/51/06/278475106.db2.gz CEWHAMWSMDJPOE-UWVGGRQHSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)[C@H](C)C[NH2+]1 ZINC000122654320 278801897 /nfs/dbraw/zinc/80/18/97/278801897.db2.gz JJMLIWKKCFBSOT-NXEZZACHSA-N 1 0 283.297 2.764 10 30 CFEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Nc1cccc(C#N)c1 ZINC000071936980 279129529 /nfs/dbraw/zinc/12/95/29/279129529.db2.gz XRFCSCQZZHXLOC-OAHLLOKOSA-N 1 0 288.395 2.656 10 30 CFEERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(C(F)(F)F)cc1C#N ZINC000086471118 288328472 /nfs/dbraw/zinc/32/84/72/288328472.db2.gz LWJWNBKDQOYYET-VHSXEESVSA-N 1 0 283.297 2.764 10 30 CFEERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(C#N)cc1Br ZINC000389721333 324520363 /nfs/dbraw/zinc/52/03/63/324520363.db2.gz GEUOCHUHJLBBAK-RNCFNFMXSA-N 1 0 294.196 2.731 10 30 CFEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(C)o2)CC1 ZINC000171701538 329078704 /nfs/dbraw/zinc/07/87/04/329078704.db2.gz IXTCJGMALPMXBY-ZDUSSCGKSA-N 1 0 291.395 2.599 10 30 CFEERO C#Cc1cccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)c1 ZINC000177518990 329185364 /nfs/dbraw/zinc/18/53/64/329185364.db2.gz CLCBHLHBMXFDKV-IAGOWNOFSA-N 1 0 297.402 2.758 10 30 CFEERO Cc1cc(C)cc(NC(=[NH2+])NCc2cc(C)nc(C)n2)c1 ZINC000261772812 329982644 /nfs/dbraw/zinc/98/26/44/329982644.db2.gz MVYQZSYGDMIFPX-UHFFFAOYSA-N 1 0 283.379 2.637 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H](Cc2ccccc2)C1 ZINC000262431366 330010320 /nfs/dbraw/zinc/01/03/20/330010320.db2.gz FCKHAFQQESGTEE-NUEKZKHPSA-N 1 0 271.408 2.535 10 30 CFEERO C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1CC1(C)C ZINC000262505197 330018590 /nfs/dbraw/zinc/01/85/90/330018590.db2.gz LGUWRPTZSDDCPI-MJBXVCDLSA-N 1 0 295.471 2.791 10 30 CFEERO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1C[C@@H]1C ZINC000262688063 330027155 /nfs/dbraw/zinc/02/71/55/330027155.db2.gz VOICHXLIYCHGDD-XQLPTFJDSA-N 1 0 295.471 2.791 10 30 CFEERO C[NH+]=C(NCCc1ccc(Cl)s1)NCC1CCC1 ZINC000262885341 330036063 /nfs/dbraw/zinc/03/60/63/330036063.db2.gz GDHJTMPSBUMSJH-UHFFFAOYSA-N 1 0 285.844 2.909 10 30 CFEERO [NH2+]=C(NC1CC(c2ccc(F)c(Cl)c2)C1)N1CCC1 ZINC000263211139 330049369 /nfs/dbraw/zinc/04/93/69/330049369.db2.gz ZBLAHDOLZCFSPR-UHFFFAOYSA-N 1 0 281.762 2.746 10 30 CFEERO COCc1ccccc1NC(=[NH2+])N[C@H]1CC12CCCC2 ZINC000263226987 330049902 /nfs/dbraw/zinc/04/99/02/330049902.db2.gz ATIHGIXSYKMDAQ-AWEZNQCLSA-N 1 0 273.380 2.892 10 30 CFEERO C#CCOc1ccc(C[NH2+]Cc2ccco2)cc1OCC ZINC000045945909 330350085 /nfs/dbraw/zinc/35/00/85/330350085.db2.gz LLKASHAVAVVJAD-UHFFFAOYSA-N 1 0 285.343 2.980 10 30 CFEERO C=C[C@](C)(CC)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000191126632 333215759 /nfs/dbraw/zinc/21/57/59/333215759.db2.gz GDAMENLZJLSRNG-UKRRQHHQSA-N 1 0 254.418 2.681 10 30 CFEERO C#C[C@H](CC)[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000229878282 333310537 /nfs/dbraw/zinc/31/05/37/333310537.db2.gz XEIOBAUIGUFMLE-DGCLKSJQSA-N 1 0 277.364 2.775 10 30 CFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000250647584 334347583 /nfs/dbraw/zinc/34/75/83/334347583.db2.gz MXZGQQSCKOXBAJ-ULQDDVLXSA-N 1 0 269.392 2.543 10 30 CFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000250646456 334347721 /nfs/dbraw/zinc/34/77/21/334347721.db2.gz LXRNXOKAPUWRQT-BZSNNMDCSA-N 1 0 283.419 2.933 10 30 CFEERO C#CC[C@H]([NH2+]C)c1cc(Cl)c(OC)c(OC)c1 ZINC000051075032 518338804 /nfs/dbraw/zinc/33/88/04/518338804.db2.gz UUICKQNGCSMZKS-NSHDSACASA-N 1 0 253.729 2.641 10 30 CFEERO C=C(C[NH+]1CCC(c2nnc(C3CC3)o2)CC1)OCC ZINC000049377603 518648551 /nfs/dbraw/zinc/64/85/51/518648551.db2.gz ZMTQTFMLQPZTBC-UHFFFAOYSA-N 1 0 277.368 2.677 10 30 CFEERO CC(C)CCC(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586685 519636733 /nfs/dbraw/zinc/63/67/33/519636733.db2.gz QPDCKBWMDGUYCD-CQSZACIVSA-N 1 0 272.392 2.610 10 30 CFEERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000049558160 519775938 /nfs/dbraw/zinc/77/59/38/519775938.db2.gz SJYSHUZALPMBHV-ZDUSSCGKSA-N 1 0 290.367 2.855 10 30 CFEERO CC(C)[C@H](C)[N@H+](C)Cc1ccc(C#CCCO)cc1 ZINC000049618551 519811876 /nfs/dbraw/zinc/81/18/76/519811876.db2.gz FZCONLDFYWFDDW-HNNXBMFYSA-N 1 0 259.393 2.897 10 30 CFEERO CC(C)[C@H](CNC(=O)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000049736392 519815644 /nfs/dbraw/zinc/81/56/44/519815644.db2.gz RVWIMPZOLSMLOA-KRWDZBQOSA-N 1 0 299.418 2.799 10 30 CFEERO CCC1CCC(NC(=O)c2ccccc2C#CC[NH3+])CC1 ZINC000049124815 519856533 /nfs/dbraw/zinc/85/65/33/519856533.db2.gz GGNDFWVUPURJOD-UHFFFAOYSA-N 1 0 284.403 2.695 10 30 CFEERO CCCC[N@H+](Cc1ccc(F)cc1C#CCO)C1CC1 ZINC000049613886 520544018 /nfs/dbraw/zinc/54/40/18/520544018.db2.gz HYASXNHSBFHEHL-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO CCOc1ccc(OCc2cccc(C#CC[NH3+])c2)cc1 ZINC000049610402 521181232 /nfs/dbraw/zinc/18/12/32/521181232.db2.gz NTXPMLXIMUKNMG-UHFFFAOYSA-N 1 0 281.355 2.975 10 30 CFEERO CC[N@@H+](Cc1ccc(OC)c(C#CCCO)c1)CC(C)C ZINC000049617245 521322331 /nfs/dbraw/zinc/32/23/31/521322331.db2.gz JMDFFEWRGJKPJI-UHFFFAOYSA-N 1 0 289.419 2.907 10 30 CFEERO CCCN(Cc1cc(F)ccc1C#N)C1CC[NH2+]CC1 ZINC000069401994 521681406 /nfs/dbraw/zinc/68/14/06/521681406.db2.gz GQHBHWDHNHUSDW-UHFFFAOYSA-N 1 0 275.371 2.661 10 30 CFEERO C[NH2+]Cc1cccc(-n2c3ccccc3nc2CC#N)c1 ZINC000069328529 522126527 /nfs/dbraw/zinc/12/65/27/522126527.db2.gz RPVGLFAQZXLMFX-UHFFFAOYSA-N 1 0 276.343 2.811 10 30 CFEERO CC[C@@H](NC(=O)c1cccc(C#CC[NH3+])c1)c1cccs1 ZINC000049533326 522792285 /nfs/dbraw/zinc/79/22/85/522792285.db2.gz GSAGFHBZMSIEPF-OAHLLOKOSA-N 1 0 298.411 2.939 10 30 CFEERO CC[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(C#CCCO)c1 ZINC000049615121 523108404 /nfs/dbraw/zinc/10/84/04/523108404.db2.gz GLUFSITXBSPHJT-KRWDZBQOSA-N 1 0 287.403 2.804 10 30 CFEERO CC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000049615165 523109933 /nfs/dbraw/zinc/10/99/33/523109933.db2.gz YKOUBLILPRZPFO-HNNXBMFYSA-N 1 0 261.340 2.544 10 30 CFEERO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(C#CCO)c1 ZINC000049617491 523178359 /nfs/dbraw/zinc/17/83/59/523178359.db2.gz KYCCKUAIIYKESM-QGZVFWFLSA-N 1 0 287.403 2.804 10 30 CFEERO CN(Cc1ccc(F)cc1C#CC[NH3+])c1ccccc1 ZINC000049608425 523252612 /nfs/dbraw/zinc/25/26/12/523252612.db2.gz MKAXXMDCLZFYRW-UHFFFAOYSA-N 1 0 268.335 2.772 10 30 CFEERO C[N@H+](Cc1cccc(C#CCCO)c1)C1CCCC1 ZINC000049617552 523292244 /nfs/dbraw/zinc/29/22/44/523292244.db2.gz YSOQSQLGVBOZOT-UHFFFAOYSA-N 1 0 257.377 2.795 10 30 CFEERO C[N@H+](Cc1ccccc1)Cc1ccccc1C#CCO ZINC000049616317 523348189 /nfs/dbraw/zinc/34/81/89/523348189.db2.gz SBTRBWRGFBESPB-UHFFFAOYSA-N 1 0 265.356 2.662 10 30 CFEERO COc1ccc(C#CCCO)cc1C[N@@H+]1CCCC[C@@H]1C ZINC000049615703 523509720 /nfs/dbraw/zinc/50/97/20/523509720.db2.gz BSHXKSZJAAHWPZ-HNNXBMFYSA-N 1 0 287.403 2.804 10 30 CFEERO COc1ccc(C#CCO)cc1C[N@H+](C)[C@@H](C)C(C)C ZINC000049618584 523516563 /nfs/dbraw/zinc/51/65/63/523516563.db2.gz LDTVBLCLWTXXGG-AWEZNQCLSA-N 1 0 275.392 2.515 10 30 CFEERO C[NH+]1CCC(Oc2ccc(Cl)cc2C#N)CC1 ZINC000052859888 523783235 /nfs/dbraw/zinc/78/32/35/523783235.db2.gz VKBAFVCPWQXGDY-UHFFFAOYSA-N 1 0 250.729 2.685 10 30 CFEERO CC[C@H](C)[N@H+](C)Cc1cc(C#CCCO)ccc1OC ZINC000049617180 523923153 /nfs/dbraw/zinc/92/31/53/523923153.db2.gz CFSREZRDBNKVKD-AWEZNQCLSA-N 1 0 275.392 2.659 10 30 CFEERO COc1ccc(C[N@H+](C)CCC(C)C)cc1C#CCO ZINC000049614903 524002173 /nfs/dbraw/zinc/00/21/73/524002173.db2.gz WYJJUGPDUDQUJG-UHFFFAOYSA-N 1 0 275.392 2.517 10 30 CFEERO COc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1C#CCCO ZINC000049616015 524029421 /nfs/dbraw/zinc/02/94/21/524029421.db2.gz WDODFZBBHZOEGP-HNNXBMFYSA-N 1 0 287.403 2.661 10 30 CFEERO C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#CCCO)c1 ZINC000049615277 524119496 /nfs/dbraw/zinc/11/94/96/524119496.db2.gz ZIAKXASUFCXVPY-ZDUSSCGKSA-N 1 0 261.340 2.544 10 30 CFEERO C[C@@H](CC[NH3+])Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000310991024 524481101 /nfs/dbraw/zinc/48/11/01/524481101.db2.gz LGEPAQIVTPSMGU-QMMMGPOBSA-N 1 0 257.259 2.726 10 30 CFEERO COc1ccccc1OCc1ccc(C#CC[NH3+])cc1F ZINC000049610555 524686194 /nfs/dbraw/zinc/68/61/94/524686194.db2.gz NLVGUJXARILSLW-UHFFFAOYSA-N 1 0 285.318 2.724 10 30 CFEERO C[C@H](NC(=[NH2+])NC1CCCC1)c1ccc(C#N)cc1 ZINC000052046513 524873292 /nfs/dbraw/zinc/87/32/92/524873292.db2.gz IQMLFBFNHUSHHI-NSHDSACASA-N 1 0 256.353 2.676 10 30 CFEERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000336236518 525111186 /nfs/dbraw/zinc/11/11/86/525111186.db2.gz WMFGXGNCOHOMCS-IINYFYTJSA-N 1 0 264.756 2.557 10 30 CFEERO Cc1ccc(NC(=O)c2cncc(C#CC[NH3+])c2)cc1Cl ZINC000049629292 525253556 /nfs/dbraw/zinc/25/35/56/525253556.db2.gz CCHSBYMBXCDSDD-UHFFFAOYSA-N 1 0 299.761 2.606 10 30 CFEERO Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C#N)c(C)n1 ZINC000156562968 525294352 /nfs/dbraw/zinc/29/43/52/525294352.db2.gz UZHNBQCOFLPTOJ-GDBMZVCRSA-N 1 0 270.380 2.609 10 30 CFEERO Cc1ccccc1OCc1ccccc1C#CC[NH3+] ZINC000049610504 525317282 /nfs/dbraw/zinc/31/72/82/525317282.db2.gz HSCPLPAQNBCUCK-UHFFFAOYSA-N 1 0 251.329 2.884 10 30 CFEERO C[C@@H]1Cc2ccccc2N1Cc1cccc(C#CC[NH3+])c1 ZINC000049608556 525534227 /nfs/dbraw/zinc/53/42/27/525534227.db2.gz ZHENXHAQKCOMQM-OAHLLOKOSA-N 1 0 276.383 2.948 10 30 CFEERO C[C@H](C/C(N)=N/O)[NH+]1CCC2(CCCCC2)CC1 ZINC000061820210 526196456 /nfs/dbraw/zinc/19/64/56/526196456.db2.gz YLGACSDHIPEZFU-GFCCVEGCSA-N 1 0 253.390 2.558 10 30 CFEERO Cc1nn(Cc2ccc(C#CC[NH3+])cc2)c(C)c1Cl ZINC000050587880 526288539 /nfs/dbraw/zinc/28/85/39/526288539.db2.gz QPIBOCWATQDCSL-UHFFFAOYSA-N 1 0 273.767 2.512 10 30 CFEERO Cc1nnc(SCc2ccc(C#CC[NH3+])cc2F)s1 ZINC000049611577 526387022 /nfs/dbraw/zinc/38/70/22/526387022.db2.gz DPCYMPAKTGNHJY-UHFFFAOYSA-N 1 0 293.392 2.588 10 30 CFEERO N#Cc1c(Cl)cccc1OC[C@H]1CCCC[NH2+]1 ZINC000052908634 526519904 /nfs/dbraw/zinc/51/99/04/526519904.db2.gz PAYKZEMHOFDYQQ-SNVBAGLBSA-N 1 0 250.729 2.733 10 30 CFEERO C=C(C)CN(CC)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106431032 526544489 /nfs/dbraw/zinc/54/44/89/526544489.db2.gz PEZDJFLHONHVMD-INIZCTEOSA-N 1 0 274.408 2.584 10 30 CFEERO N#Cc1cc(NCC[C@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000164087210 526570703 /nfs/dbraw/zinc/57/07/03/526570703.db2.gz GWJLCSPOOSNIGA-SNVBAGLBSA-N 1 0 283.297 2.989 10 30 CFEERO N#Cc1ccc(Cl)cc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050943837 526635659 /nfs/dbraw/zinc/63/56/59/526635659.db2.gz GLMWYMUWVBVPPC-UHFFFAOYSA-N 1 0 291.782 2.930 10 30 CFEERO N#Cc1ccc(F)cc1C[N@@H+](CCO)C1CCCCC1 ZINC000069402501 526639870 /nfs/dbraw/zinc/63/98/70/526639870.db2.gz MYXQUNMGGBAZQE-UHFFFAOYSA-N 1 0 276.355 2.824 10 30 CFEERO N#Cc1ccc(F)cc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000069402132 526640442 /nfs/dbraw/zinc/64/04/42/526640442.db2.gz GDICCNPKPHUIIJ-DLBZAZTESA-N 1 0 287.382 2.804 10 30 CFEERO N#Cc1ccc(F)cc1CN1CC[NH2+]Cc2ccccc21 ZINC000069402116 526640681 /nfs/dbraw/zinc/64/06/81/526640681.db2.gz YOYLICZFLKDWLK-UHFFFAOYSA-N 1 0 281.334 2.807 10 30 CFEERO N#Cc1ccccc1COc1cc(C[NH3+])ccc1[N+](=O)[O-] ZINC000050516387 526737147 /nfs/dbraw/zinc/73/71/47/526737147.db2.gz DKXIZKTVQNTARB-UHFFFAOYSA-N 1 0 283.287 2.504 10 30 CFEERO C#CCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000113321181 526744932 /nfs/dbraw/zinc/74/49/32/526744932.db2.gz CCBWIQWVOYDOLY-RHSMWYFYSA-N 1 0 273.376 2.746 10 30 CFEERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)no1 ZINC000195517721 526923058 /nfs/dbraw/zinc/92/30/58/526923058.db2.gz KLZOTQDDWLHJAA-CQSZACIVSA-N 1 0 296.374 2.704 10 30 CFEERO Cc1nc(NCC[NH2+]C2CCCCCC2)ccc1C#N ZINC000261625097 526996432 /nfs/dbraw/zinc/99/64/32/526996432.db2.gz AMGGEXIAVCECOG-UHFFFAOYSA-N 1 0 272.396 2.986 10 30 CFEERO Cc1nc(N[C@@H](C[NH3+])C2CCCC2)c(Cl)cc1C#N ZINC000261586357 527000864 /nfs/dbraw/zinc/00/08/64/527000864.db2.gz IVTXNQJAESRFIZ-ZDUSSCGKSA-N 1 0 278.787 2.845 10 30 CFEERO [NH3+]CC#Cc1cc(COc2cccc(F)c2)ccc1F ZINC000049610568 527146445 /nfs/dbraw/zinc/14/64/45/527146445.db2.gz OZUWTSYMPNDPHR-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1CN1CCc2ccccc21 ZINC000049608620 527148519 /nfs/dbraw/zinc/14/85/19/527148519.db2.gz PXHRUJQSWVQIDH-UHFFFAOYSA-N 1 0 280.346 2.699 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2ccccc2)c(F)c1 ZINC000049610527 527150800 /nfs/dbraw/zinc/15/08/00/527150800.db2.gz CYRPFZNBRVAGGN-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO [NH3+]CC#Cc1cccc(OCCCOc2ccccc2)c1 ZINC000061817006 527153687 /nfs/dbraw/zinc/15/36/87/527153687.db2.gz QEZYXDOQKBOFMP-UHFFFAOYSA-N 1 0 281.355 2.845 10 30 CFEERO OCC#Cc1ccc(C[NH+]2CCCCCC2)c(F)c1 ZINC000049616142 527519324 /nfs/dbraw/zinc/51/93/24/527519324.db2.gz HEIGEAAJGADJBU-UHFFFAOYSA-N 1 0 261.340 2.546 10 30 CFEERO OCC#Cc1ccccc1C[N@@H+]1CCc2sccc2C1 ZINC000049616267 527520360 /nfs/dbraw/zinc/52/03/60/527520360.db2.gz GAIZLKIOSRJTLI-UHFFFAOYSA-N 1 0 283.396 2.650 10 30 CFEERO CCCCCCCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246856753 617622356 /nfs/dbraw/zinc/62/23/56/617622356.db2.gz VJFUIXJZYCPJLG-HOTGVXAUSA-N 1 0 298.471 2.651 10 30 CFEERO C[C@H]1CCCN(C(=[NH2+])NC2CC(c3ccccc3)C2)C1 ZINC000261972309 617787791 /nfs/dbraw/zinc/78/77/91/617787791.db2.gz DRMRXAIYSWSVPI-JEYLPNPQSA-N 1 0 271.408 2.979 10 30 CFEERO C[NH2+]CC1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000071386104 618107555 /nfs/dbraw/zinc/10/75/55/618107555.db2.gz NVZRNECOZFIXKI-UHFFFAOYSA-N 1 0 280.375 2.542 10 30 CFEERO C[NH2+][C@@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000053204778 618259272 /nfs/dbraw/zinc/25/92/72/618259272.db2.gz SYXYBEDBAXQCGZ-GFCCVEGCSA-N 1 0 283.297 2.765 10 30 CFEERO C[C@H](C[C@H](C)[NH3+])Nc1nc2ccccc2cc1C#N ZINC000320715922 618331828 /nfs/dbraw/zinc/33/18/28/618331828.db2.gz VCUZVEWVSONXHI-WDEREUQCSA-N 1 0 254.337 2.644 10 30 CFEERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000309862770 618921381 /nfs/dbraw/zinc/92/13/81/618921381.db2.gz OBDQMBHJZPTKBQ-NEPJUHHUSA-N 1 0 281.400 2.572 10 30 CFEERO N#Cc1ccc(NC[C@@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000053255051 620177435 /nfs/dbraw/zinc/17/74/35/620177435.db2.gz SZPYCLMNWMMMRN-NSHDSACASA-N 1 0 269.270 2.741 10 30 CFEERO N#Cc1cc2ccccc2nc1N1CCC[C@H](CC[NH3+])C1 ZINC000071386196 625510824 /nfs/dbraw/zinc/51/08/24/625510824.db2.gz ZRYJKZKAAJHPBI-CYBMUJFWSA-N 1 0 280.375 2.672 10 30 CFEERO CCCCCCC[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000157989559 623086230 /nfs/dbraw/zinc/08/62/30/623086230.db2.gz XZBODZGFTFGKOJ-INIZCTEOSA-N 1 0 279.428 2.863 10 30 CFEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(Br)cc1C#N ZINC000229256342 623193621 /nfs/dbraw/zinc/19/36/21/623193621.db2.gz FZCGDZJHZFSGKF-JOYOIKCWSA-N 1 0 294.196 2.873 10 30 CFEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000229601778 623214318 /nfs/dbraw/zinc/21/43/18/623214318.db2.gz WGQPPAJZBWBHQK-RISCZKNCSA-N 1 0 266.348 2.659 10 30 CFEERO CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2C#N)c1O ZINC000061891337 623239837 /nfs/dbraw/zinc/23/98/37/623239837.db2.gz RFWHZPAJNOZDLM-AAEUAGOBSA-N 1 0 260.337 2.573 10 30 CFEERO N#Cc1cc(NC2CCC([NH3+])CC2)nc2ccccc12 ZINC000068769672 625027385 /nfs/dbraw/zinc/02/73/85/625027385.db2.gz JSFACIXPRPVANX-UHFFFAOYSA-N 1 0 266.348 2.788 10 30 CFEERO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC)C2)cc1 ZINC000247216472 650900661 /nfs/dbraw/zinc/90/06/61/650900661.db2.gz XHPKQSFEMJAVPA-WBVHZDCISA-N 1 0 286.419 2.834 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1NCC[C@@H]1CCC[NH2+]C1 ZINC000094337441 650956242 /nfs/dbraw/zinc/95/62/42/650956242.db2.gz CIOHGDVZCCKCJF-JTQLQIEISA-N 1 0 298.312 2.774 10 30 CFEERO CC[C@H]1CN(c2nc3ccccc3cc2C#N)CC[C@H]1[NH3+] ZINC000251707481 650992706 /nfs/dbraw/zinc/99/27/06/650992706.db2.gz JIHXXRPHCXTISK-SWLSCSKDSA-N 1 0 280.375 2.670 10 30 CFEERO C#C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000253161093 651038587 /nfs/dbraw/zinc/03/85/87/651038587.db2.gz UIBAIKJMCJKRAE-IHRRRGAJSA-N 1 0 280.412 2.633 10 30 CFEERO C#CCOc1ccccc1C[N@@H+]1CCS[C@H](C)C1 ZINC000131387442 645716957 /nfs/dbraw/zinc/71/69/57/645716957.db2.gz UPHDPFWGDVHFLE-CYBMUJFWSA-N 1 0 261.390 2.636 10 30 CFEERO C[C@@H]1CCN(c2nc3ccccc3cc2C#N)C[C@H]1C[NH3+] ZINC000253177112 651039191 /nfs/dbraw/zinc/03/91/91/651039191.db2.gz ASJVCVLFAQXNCO-IUODEOHRSA-N 1 0 280.375 2.528 10 30 CFEERO CC(C)[C@H]([NH3+])CCNc1nc2c(cc1C#N)CCCC2 ZINC000596030096 349778526 /nfs/dbraw/zinc/77/85/26/349778526.db2.gz IXWBYBZMGXSTDR-CQSZACIVSA-N 1 0 272.396 2.617 10 30 CFEERO C#CC[N@@H+](CCC)[C@@H]1CCc2ccc(OC)cc2C1 ZINC000038437430 346338950 /nfs/dbraw/zinc/33/89/50/346338950.db2.gz NYNWHXAFXLJNOS-MRXNPFEDSA-N 1 0 257.377 2.898 10 30 CFEERO N#Cc1cc(F)ccc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000111027543 136560513 /nfs/dbraw/zinc/56/05/13/136560513.db2.gz LJAMZZGHWZSVGU-HNNXBMFYSA-N 1 0 273.355 2.666 10 30 CFEERO C#CC[C@@H]([NH2+]C)c1ccc(Br)cc1F ZINC000166113691 348041714 /nfs/dbraw/zinc/04/17/14/348041714.db2.gz CEXURPZPANQOFX-LLVKDONJSA-N 1 0 256.118 2.872 10 30 CFEERO C=C[C@H](C[NH3+])N(OCc1ccccc1)C(=O)OC(C)(C)C ZINC000220845215 348170599 /nfs/dbraw/zinc/17/05/99/348170599.db2.gz NUSQWWWALOADIM-CQSZACIVSA-N 1 0 292.379 2.869 10 30 CFEERO C#C[C@@H]([NH3+])c1cc(Br)cc(Br)c1 ZINC000236301507 348233048 /nfs/dbraw/zinc/23/30/48/348233048.db2.gz PJFDSDBSIQRROK-SECBINFHSA-N 1 0 288.970 2.845 10 30 CFEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000309847921 348408149 /nfs/dbraw/zinc/40/81/49/348408149.db2.gz YVDLBFSGDJCBBP-OKZBNKHCSA-N 1 0 283.419 2.933 10 30 CFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000313292693 348422319 /nfs/dbraw/zinc/42/23/19/348422319.db2.gz IFXNWSRHPYFOHO-HUUCEWRRSA-N 1 0 250.386 2.865 10 30 CFEERO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCc2nccn2C1 ZINC000328646602 348442035 /nfs/dbraw/zinc/44/20/35/348442035.db2.gz STAOSWVQYHYCFE-AWEZNQCLSA-N 1 0 298.365 2.588 10 30 CFEERO C#CCN[C@@H](C[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000087910267 179517604 /nfs/dbraw/zinc/51/76/04/179517604.db2.gz FREUKPDJNLWZSI-KRWDZBQOSA-N 1 0 250.345 2.576 10 30 CFEERO N#CCC[C@@](C#N)(c1ccccc1)C1CC[NH2+]CC1 ZINC000584649355 348701741 /nfs/dbraw/zinc/70/17/41/348701741.db2.gz RUCTVLMLGCMCSB-MRXNPFEDSA-N 1 0 253.349 2.751 10 30 CFEERO C[NH+](C)[C@@H]1CCN(c2ccc(C#N)c3ccccc32)C1 ZINC000090563335 180006095 /nfs/dbraw/zinc/00/60/95/180006095.db2.gz GAMBEJGEUKPDES-CQSZACIVSA-N 1 0 265.360 2.852 10 30 CFEERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(C(F)(F)F)cc1C#N ZINC000600963036 350638420 /nfs/dbraw/zinc/63/84/20/350638420.db2.gz QERCAANNZHAVPB-KWQFWETISA-N 1 0 269.270 2.503 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(C#N)cs1 ZINC000123445161 187092140 /nfs/dbraw/zinc/09/21/40/187092140.db2.gz MGAXBEBDZBNZNX-ZDUSSCGKSA-N 1 0 263.410 2.536 10 30 CFEERO N#Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616601471 352380670 /nfs/dbraw/zinc/38/06/70/352380670.db2.gz QZEBPIWEVGKIPJ-GOSISDBHSA-N 1 0 277.371 2.705 10 30 CFEERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000153746156 188100632 /nfs/dbraw/zinc/10/06/32/188100632.db2.gz BOJUIMNOJQKNDI-KEYYUXOJSA-N 1 0 271.408 2.938 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H](C[NH3+])C1 ZINC000044531677 283092343 /nfs/dbraw/zinc/09/23/43/283092343.db2.gz FZDLLPWJVMKHFX-SNVBAGLBSA-N 1 0 283.297 2.752 10 30 CFEERO N#Cc1cc(F)c(N[C@@H]2CCC[C@H]([NH3+])C2)c(F)c1 ZINC000335581940 283097544 /nfs/dbraw/zinc/09/75/44/283097544.db2.gz NXZZFHDIUGEZCG-VHSXEESVSA-N 1 0 251.280 2.518 10 30 CFEERO N#Cc1cc(N2CCC[C@H]2C[NH3+])ccc1C(F)(F)F ZINC000132017057 283103952 /nfs/dbraw/zinc/10/39/52/283103952.db2.gz AHONOWXUDVUKIU-NSHDSACASA-N 1 0 269.270 2.505 10 30 CFEERO N#Cc1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063201277 283154547 /nfs/dbraw/zinc/15/45/47/283154547.db2.gz XNARORVHHATAJX-MRXNPFEDSA-N 1 0 255.365 2.527 10 30 CFEERO N#Cc1ccc(N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000034774911 283155949 /nfs/dbraw/zinc/15/59/49/283155949.db2.gz GMQPELBCDCDDHW-UHFFFAOYSA-N 1 0 255.365 2.528 10 30 CFEERO Cc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(C#N)c(C)n1 ZINC000301807136 201210429 /nfs/dbraw/zinc/21/04/29/201210429.db2.gz YDOWULLCLJTRKF-KGLIPLIRSA-N 1 0 272.396 2.855 10 30 CFEERO CC1(C)CCC[NH2+][C@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000232989620 189818894 /nfs/dbraw/zinc/81/88/94/189818894.db2.gz DHSHRHVQGKTWLP-AWEZNQCLSA-N 1 0 288.351 2.657 10 30 CFEERO C#CCOc1c(C[NH2+]CC(C)C)cccc1OCC ZINC000045945770 373038192 /nfs/dbraw/zinc/03/81/92/373038192.db2.gz VKZJFARSSBDEFQ-UHFFFAOYSA-N 1 0 261.365 2.843 10 30 CFEERO C#CCOc1ccccc1C[NH2+]CCCOCCCC ZINC000045945942 373038467 /nfs/dbraw/zinc/03/84/67/373038467.db2.gz PTFRPBBNCOTCFU-UHFFFAOYSA-N 1 0 275.392 2.995 10 30 CFEERO N#C[C@@H]1CCC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054823758 373529209 /nfs/dbraw/zinc/52/92/09/373529209.db2.gz SGNKNIVNFUOYSA-WMZOPIPTSA-N 1 0 283.419 2.933 10 30 CFEERO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000061892250 373736318 /nfs/dbraw/zinc/73/63/18/373736318.db2.gz AGHDRKWYESYZEP-GDBMZVCRSA-N 1 0 266.348 2.654 10 30 CFEERO C[NH2+]C[C@@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000062785782 373765077 /nfs/dbraw/zinc/76/50/77/373765077.db2.gz KVAOMBNFDQZZIX-NSHDSACASA-N 1 0 263.772 2.647 10 30 CFEERO C[C@H]([NH3+])CCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000063171650 373791329 /nfs/dbraw/zinc/79/13/29/373791329.db2.gz WXOGTRGIOXFFHJ-QMMMGPOBSA-N 1 0 257.259 2.726 10 30 CFEERO CCN1CCC[C@@H]1C[N@H+](C)CCCC(C)(C)C#N ZINC000092628786 375131204 /nfs/dbraw/zinc/13/12/04/375131204.db2.gz XPKJHPSMELRBKE-CQSZACIVSA-N 1 0 251.418 2.732 10 30 CFEERO CC(C)(CCC#N)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000092811053 375159266 /nfs/dbraw/zinc/15/92/66/375159266.db2.gz AUVFBFPEDBJZTJ-UHFFFAOYSA-N 1 0 260.385 2.919 10 30 CFEERO C=CCCCCC[N@@H+](C)Cc1c(C)nn(C)c1OC ZINC000093498030 375256528 /nfs/dbraw/zinc/25/65/28/375256528.db2.gz UZKGRMLOSABAOV-UHFFFAOYSA-N 1 0 265.401 2.915 10 30 CFEERO N#Cc1c(Cl)cccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439890 375363103 /nfs/dbraw/zinc/36/31/03/375363103.db2.gz SYXGMBQTQPKQPO-GFCCVEGCSA-N 1 0 275.783 2.886 10 30 CFEERO CC(C)[NH2+][C@@H]1CCOC[C@H]1Cc1ccccc1C#N ZINC000095088459 375409967 /nfs/dbraw/zinc/40/99/67/375409967.db2.gz SEAWNCROEKBEMK-HZPDHXFCSA-N 1 0 258.365 2.504 10 30 CFEERO CC1=C/C(=N/n2cccc2)C=C/C1=[NH+]/n1cccc1 ZINC000101169231 375633974 /nfs/dbraw/zinc/63/39/74/375633974.db2.gz QRLREMPILCQRFD-GGTPAPDOSA-N 1 0 250.305 2.914 10 30 CFEERO N#Cc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)s1 ZINC000128193086 377322469 /nfs/dbraw/zinc/32/24/69/377322469.db2.gz RODSTNDNELGYQX-UHFFFAOYSA-N 1 0 272.377 2.722 10 30 CFEERO C[C@H](Nc1c(F)cc(C#N)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000133670003 377948821 /nfs/dbraw/zinc/94/88/21/377948821.db2.gz UHJLBDNDNPYHLR-GXSJLCMTSA-N 1 0 265.307 2.636 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)CC#Cc1ccc(F)cc1 ZINC000154233885 378551003 /nfs/dbraw/zinc/55/10/03/378551003.db2.gz VQEZGKRMSAPTAW-QGZVFWFLSA-N 1 0 274.383 2.593 10 30 CFEERO Cc1cc(NC2CC[NH+](C(C)C)CC2)c(C#N)c(C)n1 ZINC000160452975 378773613 /nfs/dbraw/zinc/77/36/13/378773613.db2.gz SEUPRDTUEBQBCA-UHFFFAOYSA-N 1 0 272.396 2.855 10 30 CFEERO Cc1cc(N2CCC[C@H](c3cc[nH]n3)C2)c(C#N)c(C)n1 ZINC000160509217 378777846 /nfs/dbraw/zinc/77/78/46/378777846.db2.gz CDGPLSMQNIUDDT-ZDUSSCGKSA-N 1 0 281.363 2.677 10 30 CFEERO Cc1cccc(NC[C@@H]2CC[N@H+](CCCCC#N)C2)n1 ZINC000171037743 379215237 /nfs/dbraw/zinc/21/52/37/379215237.db2.gz DQSNVUXVGQKRMW-HNNXBMFYSA-N 1 0 272.396 2.818 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C#N)cc1 ZINC000173334045 379727878 /nfs/dbraw/zinc/72/78/78/379727878.db2.gz PLEPYWCEYZCNMU-JKSUJKDBSA-N 1 0 298.390 2.649 10 30 CFEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000181783498 380894035 /nfs/dbraw/zinc/89/40/35/380894035.db2.gz REDZEKIASZGZPZ-YSVLISHTSA-N 1 0 288.391 2.791 10 30 CFEERO N#Cc1cccc(N2CCC[C@H]([NH2+]Cc3ccccc3)C2)n1 ZINC000301816404 382195524 /nfs/dbraw/zinc/19/55/24/382195524.db2.gz DOHHFWVBZQVJMR-KRWDZBQOSA-N 1 0 292.386 2.712 10 30 CFEERO Cc1cc(N[C@@H]2CCC[C@@H]2CCO)c(C#N)c(C)n1 ZINC000302413506 382248159 /nfs/dbraw/zinc/24/81/59/382248159.db2.gz HIZZOWCKSVZIFD-TZMCWYRMSA-N 1 0 259.353 2.533 10 30 CFEERO C[C@@H]([NH3+])C#Cc1c(Cl)cccc1Br ZINC000306883411 382461292 /nfs/dbraw/zinc/46/12/92/382461292.db2.gz KCYQYFYALJOEON-SSDOTTSWSA-N 1 0 258.546 2.801 10 30 CFEERO C[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@@]1(C)C[NH3+] ZINC000385806631 382577041 /nfs/dbraw/zinc/57/70/41/382577041.db2.gz MQTPVZNRTXIUFE-QMTHXVAHSA-N 1 0 263.772 2.633 10 30 CFEERO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398771641 382636337 /nfs/dbraw/zinc/63/63/37/382636337.db2.gz HGPFXCSXOSSCPI-KKUMJFAQSA-N 1 0 264.413 2.799 10 30 CFEERO N#Cc1c(Br)cccc1NCC1([NH3+])CCC1 ZINC000236190794 382892907 /nfs/dbraw/zinc/89/29/07/382892907.db2.gz AUOYAKKHJHEZEI-UHFFFAOYSA-N 1 0 280.169 2.614 10 30 CFEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000246488238 383079112 /nfs/dbraw/zinc/07/91/12/383079112.db2.gz RRZSVGRDQHTLBB-ZNMIVQPWSA-N 1 0 274.412 2.636 10 30 CFEERO CC(C)(C#N)c1ccccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247282842 383159383 /nfs/dbraw/zinc/15/93/83/383159383.db2.gz SYEKTXTZZAQNFV-INIZCTEOSA-N 1 0 283.419 2.768 10 30 CFEERO N#Cc1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)ccc1F ZINC000248155084 383215887 /nfs/dbraw/zinc/21/58/87/383215887.db2.gz RFYCQTKETYNBGH-RDJZCZTQSA-N 1 0 288.366 2.824 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(C#N)cc1 ZINC000252660783 383424665 /nfs/dbraw/zinc/42/46/65/383424665.db2.gz DGEKBMFWMWAILZ-PBHICJAKSA-N 1 0 269.392 2.617 10 30 CFEERO C=C[C@](C)(O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000253388690 383455167 /nfs/dbraw/zinc/45/51/67/383455167.db2.gz ALXXMKDEYFKHDO-SJORKVTESA-N 1 0 293.382 2.744 10 30 CFEERO Cc1nc(N[C@H]2CCCC[C@H]2C[NH3+])c(Cl)cc1C#N ZINC000261593344 383524280 /nfs/dbraw/zinc/52/42/80/383524280.db2.gz NACBAKBGKYIPHJ-GWCFXTLKSA-N 1 0 278.787 2.845 10 30 CFEERO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000188480303 262299825 /nfs/dbraw/zinc/29/98/25/262299825.db2.gz DKPMJTHYXMSMPP-ZFWWWQNUSA-N 1 0 252.402 2.531 10 30 CFEERO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000186260962 393543260 /nfs/dbraw/zinc/54/32/60/393543260.db2.gz WKKUXCRZBLZHSP-GOSISDBHSA-N 1 0 293.370 2.915 10 30 CFEERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc(C#N)cc1F ZINC000049555977 393612301 /nfs/dbraw/zinc/61/23/01/393612301.db2.gz IFDUPEUJZRURSI-OAHLLOKOSA-N 1 0 277.387 2.763 10 30 CFEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000192588181 393626740 /nfs/dbraw/zinc/62/67/40/393626740.db2.gz MNFWVFPYJDZUBR-CHWSQXEVSA-N 1 0 278.421 2.988 10 30 CFEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000192588170 393626866 /nfs/dbraw/zinc/62/68/66/393626866.db2.gz MNFWVFPYJDZUBR-QWHCGFSZSA-N 1 0 278.421 2.988 10 30 CFEERO N#Cc1csc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000092810988 393792850 /nfs/dbraw/zinc/79/28/50/393792850.db2.gz VNHDFSOITHILNP-UHFFFAOYSA-N 1 0 272.377 2.722 10 30 CFEERO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000246846531 393887355 /nfs/dbraw/zinc/88/73/55/393887355.db2.gz FDYVAWNALYDUPU-GXFFZTMASA-N 1 0 278.787 2.747 10 30 CFEERO C[C@@H]1CC(C[NH2+]Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000282384556 394124287 /nfs/dbraw/zinc/12/42/87/394124287.db2.gz XPEFNDRDUIJMTA-CHWSQXEVSA-N 1 0 258.365 2.851 10 30 CFEERO C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000163978292 394369258 /nfs/dbraw/zinc/36/92/58/394369258.db2.gz IDQWYYIRCWKDFJ-PWSUYJOCSA-N 1 0 263.772 2.633 10 30 CFEERO CC(C)(C#N)CCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000174848742 394379915 /nfs/dbraw/zinc/37/99/15/394379915.db2.gz KJEJWRPZCNRAGE-UHFFFAOYSA-N 1 0 287.411 2.683 10 30 CFEERO CC(C)[C@@H]([NH3+])CCN(C)c1c(F)cc(C#N)cc1F ZINC000133581664 397603733 /nfs/dbraw/zinc/60/37/33/397603733.db2.gz SKJQMKJEYKOXLD-ZDUSSCGKSA-N 1 0 267.323 2.646 10 30 CFEERO N#CCCn1cc(C[NH2+]C2CCC(O)CC2)c2ccccc21 ZINC000008395453 170334777 /nfs/dbraw/zinc/33/47/77/170334777.db2.gz QUZBRNGJOLBUIK-UHFFFAOYSA-N 1 0 297.402 2.948 10 30 CFEERO N#C[C@H](c1ccc(-c2ccccc2)cc1)N1CC[NH2+]CC1 ZINC000019391236 170781552 /nfs/dbraw/zinc/78/15/52/170781552.db2.gz NEYAPVCYRLHFRF-GOSISDBHSA-N 1 0 277.371 2.823 10 30 CFEERO C#CC[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000035161388 172020667 /nfs/dbraw/zinc/02/06/67/172020667.db2.gz NEZOMPAYGRFZJV-UHFFFAOYSA-N 1 0 298.180 2.579 10 30 CFEERO C=CCOc1ccc(CN(C)C(=O)C[NH2+][C@H](C)CC)cc1 ZINC000037495597 173234923 /nfs/dbraw/zinc/23/49/23/173234923.db2.gz YEYLHPGMMGFWGC-CQSZACIVSA-N 1 0 290.407 2.598 10 30 CFEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000659331833 414500733 /nfs/dbraw/zinc/50/07/33/414500733.db2.gz QZJWGJPGOLXQGE-RBSFLKMASA-N 1 0 264.413 2.627 10 30 CFEERO N#Cc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1Cl ZINC000038075042 174085189 /nfs/dbraw/zinc/08/51/89/174085189.db2.gz SHDAOHFQPUHSQQ-UHFFFAOYSA-N 1 0 277.755 2.540 10 30 CFEERO C#CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000040226056 174208721 /nfs/dbraw/zinc/20/87/21/174208721.db2.gz CGMMUWJQIQCSFT-LBPRGKRZSA-N 1 0 250.139 2.659 10 30 CFEERO C=CCOc1ccc(C[NH2+][C@H]2CCCN(CC)C2)cc1 ZINC000040502477 174299362 /nfs/dbraw/zinc/29/93/62/174299362.db2.gz OEJWOANYIMIMEB-INIZCTEOSA-N 1 0 274.408 2.825 10 30 CFEERO Cc1nn(-c2cccc(C#N)c2)c(C)c1C[NH2+]C1CC1 ZINC000040932584 174435907 /nfs/dbraw/zinc/43/59/07/174435907.db2.gz TXLKTBGIAFKKEY-UHFFFAOYSA-N 1 0 266.348 2.613 10 30 CFEERO C[NH2+][C@@H](C)c1cc(F)ccc1N(CCC#N)C1CC1 ZINC000042531484 174781970 /nfs/dbraw/zinc/78/19/70/174781970.db2.gz DWVHMPJZMDFILR-NSHDSACASA-N 1 0 261.344 2.989 10 30 CFEERO COc1cc(C#N)ccc1O[C@H](C[NH3+])c1ccccc1C ZINC000043038319 174952806 /nfs/dbraw/zinc/95/28/06/174952806.db2.gz WXENPGQJPXHZCT-QGZVFWFLSA-N 1 0 282.343 2.954 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1OC)C(F)(F)F ZINC000043383407 175031256 /nfs/dbraw/zinc/03/12/56/175031256.db2.gz KAYDNQNNYMGKIH-JOYOIKCWSA-N 1 0 288.269 2.614 10 30 CFEERO C[C@@H](C#N)Oc1c(Cl)cc(Cl)cc1CC[NH3+] ZINC000043518464 175061449 /nfs/dbraw/zinc/06/14/49/175061449.db2.gz UWKKUQVXPBOMPV-ZETCQYMHSA-N 1 0 259.136 2.785 10 30 CFEERO CC[C@H](C#N)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000043539447 175063876 /nfs/dbraw/zinc/06/38/76/175063876.db2.gz UGKVSWQXWYSTAP-HZPDHXFCSA-N 1 0 259.397 2.961 10 30 CFEERO CC[C@@H]([NH3+])Cc1cc(OC)c(O[C@H](C#N)CC)c(OC)c1 ZINC000043543645 175064394 /nfs/dbraw/zinc/06/43/94/175064394.db2.gz VJVLWVDXJVHPDQ-OLZOCXBDSA-N 1 0 292.379 2.665 10 30 CFEERO CCOC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000043618094 175080153 /nfs/dbraw/zinc/08/01/53/175080153.db2.gz ADHBZJDBALFDSO-NEPJUHHUSA-N 1 0 260.337 2.551 10 30 CFEERO C[N@H+](Cc1ccc(C#CCO)s1)C1CCCCC1 ZINC000043679133 175089442 /nfs/dbraw/zinc/08/94/42/175089442.db2.gz IPDCEDINMACHSA-UHFFFAOYSA-N 1 0 263.406 2.856 10 30 CFEERO CC[N@@H+](Cc1sccc1C#CCCO)CC(C)C ZINC000043679371 175090491 /nfs/dbraw/zinc/09/04/91/175090491.db2.gz VWMMLIKOWWGKHS-UHFFFAOYSA-N 1 0 265.422 2.960 10 30 CFEERO CC[N@H+](Cc1ccc(C#CCO)s1)C1CCCC1 ZINC000043679682 175090515 /nfs/dbraw/zinc/09/05/15/175090515.db2.gz FDNRHOWJWHMDOD-UHFFFAOYSA-N 1 0 263.406 2.856 10 30 CFEERO C[N@H+](Cc1sccc1C#CCCO)C1CCCC1 ZINC000043679451 175090535 /nfs/dbraw/zinc/09/05/35/175090535.db2.gz QCIBCSIKNPZAKO-UHFFFAOYSA-N 1 0 263.406 2.856 10 30 CFEERO C[C@H]([N@H+](C)Cc1ccc(C#CCO)s1)C(C)(C)C ZINC000043682086 175090831 /nfs/dbraw/zinc/09/08/31/175090831.db2.gz JNMKDVLDOHJVMC-LBPRGKRZSA-N 1 0 265.422 2.958 10 30 CFEERO [NH3+]CC#Cc1ccc(Cn2ccnc2-c2ccccc2)s1 ZINC000043684418 175093331 /nfs/dbraw/zinc/09/33/31/175093331.db2.gz CMFQQMNOCSVWNB-UHFFFAOYSA-N 1 0 293.395 2.970 10 30 CFEERO CC(C)C[N@H+](Cc1cc(C#CCO)cs1)C1CC1 ZINC000043698718 175096692 /nfs/dbraw/zinc/09/66/92/175096692.db2.gz JBRWDDKLQSQTHW-UHFFFAOYSA-N 1 0 263.406 2.712 10 30 CFEERO C=CCSc1ccccc1NC(=O)C[NH2+]CCC ZINC000044291574 175160283 /nfs/dbraw/zinc/16/02/83/175160283.db2.gz LOMLGKSRVLAWOF-UHFFFAOYSA-N 1 0 264.394 2.903 10 30 CFEERO C=CCSc1ccccc1NC(=O)C[NH2+]CC ZINC000044290878 175160487 /nfs/dbraw/zinc/16/04/87/175160487.db2.gz WKVZWAUBMULKRC-UHFFFAOYSA-N 1 0 250.367 2.513 10 30 CFEERO N#Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000054305915 175557180 /nfs/dbraw/zinc/55/71/80/175557180.db2.gz DFBOLUHLSGXPPZ-SNVBAGLBSA-N 1 0 277.755 2.540 10 30 CFEERO N#Cc1cccc(CNC2=[NH+]C[C@H](C3CC3)S2)c1 ZINC000071307955 176116064 /nfs/dbraw/zinc/11/60/64/176116064.db2.gz PVPMFYFZUIJMFD-CYBMUJFWSA-N 1 0 257.362 2.529 10 30 CFEERO CCCN(c1ccc(C#N)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000071332385 176125609 /nfs/dbraw/zinc/12/56/09/176125609.db2.gz CFJRTEVSVZHBNZ-LBPRGKRZSA-N 1 0 263.772 2.790 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCC[NH2+]C1 ZINC000071397685 176151080 /nfs/dbraw/zinc/15/10/80/176151080.db2.gz PRMQKTGGIFAKMV-NSHDSACASA-N 1 0 269.270 2.741 10 30 CFEERO C=CC[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249597166 261255173 /nfs/dbraw/zinc/25/51/73/261255173.db2.gz XDWZWNBWJKJNLX-IRXDYDNUSA-N 1 0 284.403 2.653 10 30 CFEERO C#CCNC(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)=[NH+]CC ZINC000128886697 264308668 /nfs/dbraw/zinc/30/86/68/264308668.db2.gz ARBCDDUWUZGWGL-GXFFZTMASA-N 1 0 293.773 2.523 10 30 CFEERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000123188641 268006203 /nfs/dbraw/zinc/00/62/03/268006203.db2.gz JDPWWOYZJKSHJC-YOEHRIQHSA-N 1 0 287.407 2.700 10 30 CFEERO CC1(C)CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[NH2+]1 ZINC000212787060 273585144 /nfs/dbraw/zinc/58/51/44/273585144.db2.gz JMSCYFQVSOSLOX-UHFFFAOYSA-N 1 0 283.297 2.765 10 30 CFEERO C[NH2+]CC1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000063166366 277265110 /nfs/dbraw/zinc/26/51/10/277265110.db2.gz VAPVNEKUDHIXCR-UHFFFAOYSA-N 1 0 263.772 2.647 10 30 CFEERO CC(C)(C#N)CCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000174839058 329163976 /nfs/dbraw/zinc/16/39/76/329163976.db2.gz HNXNSXALUBRPJS-UHFFFAOYSA-N 1 0 260.385 2.919 10 30 CFEERO C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)[C@H](C)[NH3+] ZINC000381701917 324422703 /nfs/dbraw/zinc/42/27/03/324422703.db2.gz HDZKPCNTQSFHJR-JGVFFNPUSA-N 1 0 257.259 2.725 10 30 CFEERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000389735470 324520313 /nfs/dbraw/zinc/52/03/13/324520313.db2.gz UJNMJSVTKUWODY-NOZJJQNGSA-N 1 0 283.297 2.987 10 30 CFEERO C=C(Cl)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000151104579 327210221 /nfs/dbraw/zinc/21/02/21/327210221.db2.gz CMRMIDDWNQNYNZ-LBPRGKRZSA-N 1 0 251.761 2.568 10 30 CFEERO CC[NH+]=C(NCC1CCOCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000179131926 329205486 /nfs/dbraw/zinc/20/54/86/329205486.db2.gz SKXMQPIGDCRADQ-IYBDPMFKSA-N 1 0 293.455 2.501 10 30 CFEERO CC[NH+]=C(NCc1ccoc1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000179131818 329205519 /nfs/dbraw/zinc/20/55/19/329205519.db2.gz LDFLJCRRAVSVKL-GJZGRUSLSA-N 1 0 275.396 2.867 10 30 CFEERO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261651598 329974522 /nfs/dbraw/zinc/97/45/22/329974522.db2.gz DMOBEWHREYBHJP-HZPDHXFCSA-N 1 0 278.440 2.956 10 30 CFEERO C[NH+]=C(NCC1CCSCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261651285 329974572 /nfs/dbraw/zinc/97/45/72/329974572.db2.gz FCVBFKZVPHXAFJ-GASCZTMLSA-N 1 0 295.496 2.827 10 30 CFEERO C[NH+]=C(NCc1ncoc1-c1ccccc1)N[C@@H]1CC1(C)C ZINC000261664367 329975586 /nfs/dbraw/zinc/97/55/86/329975586.db2.gz BHGZWWGGVVUNQY-CQSZACIVSA-N 1 0 298.390 2.805 10 30 CFEERO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000262301898 330005132 /nfs/dbraw/zinc/00/51/32/330005132.db2.gz ZWYKTWCOCQUWAE-SBMIAAHKSA-N 1 0 267.323 2.524 10 30 CFEERO CC[C@@H](C)NC(=[NH2+])NCc1nc(C(C)C)c(C)s1 ZINC000262325156 330006186 /nfs/dbraw/zinc/00/61/86/330006186.db2.gz SVFCIJLOUDVILM-SECBINFHSA-N 1 0 268.430 2.778 10 30 CFEERO C=CCNC(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)=[NH+]C ZINC000262358787 330007918 /nfs/dbraw/zinc/00/79/18/330007918.db2.gz GIZZWDJLKQPABP-BXKDBHETSA-N 1 0 281.762 2.686 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)NC1CCCC1 ZINC000262452936 330014136 /nfs/dbraw/zinc/01/41/36/330014136.db2.gz WJELGAXLQUZRCQ-BXUZGUMPSA-N 1 0 293.361 2.928 10 30 CFEERO CCN(CC)C(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262528942 330019762 /nfs/dbraw/zinc/01/97/62/330019762.db2.gz MNFAQABFBCYVRU-SKDRFNHKSA-N 1 0 283.778 2.992 10 30 CFEERO [NH2+]=C(NCC1CCC1)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000262542801 330020387 /nfs/dbraw/zinc/02/03/87/330020387.db2.gz SPRQCUFTBJMEFI-GWCFXTLKSA-N 1 0 279.334 2.525 10 30 CFEERO Cc1nc(-c2ccccc2)sc1CNC1=[NH+]C[C@@H](C)N1 ZINC000262673560 330025987 /nfs/dbraw/zinc/02/59/87/330025987.db2.gz SEKGXUZRFXQHCI-SNVBAGLBSA-N 1 0 286.404 2.556 10 30 CFEERO CNC(=[NH2+])NCc1sc2ccc(Cl)cc2c1C ZINC000262814711 330033683 /nfs/dbraw/zinc/03/36/83/330033683.db2.gz WJYZIPAMKYKTCS-UHFFFAOYSA-N 1 0 267.785 2.897 10 30 CFEERO CCc1cccc(NC(=[NH2+])N[C@H]2C[C@@H]2C(F)F)c1 ZINC000263178665 330047684 /nfs/dbraw/zinc/04/76/84/330047684.db2.gz UQGRAMMFGISLLL-QWRGUYRKSA-N 1 0 253.296 2.629 10 30 CFEERO C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424076445 330220729 /nfs/dbraw/zinc/22/07/29/330220729.db2.gz LVCQVCTVHGLYSD-MFKMUULPSA-N 1 0 279.771 2.538 10 30 CFEERO CCOCCN1CC[N@H+](CCCC(C)(C)C#N)C[C@@H]1CC ZINC000174849484 333008845 /nfs/dbraw/zinc/00/88/45/333008845.db2.gz UUNBYRVQAPHZMX-INIZCTEOSA-N 1 0 295.471 2.749 10 30 CFEERO C=C[C@@](C)(CC)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000191126649 333215843 /nfs/dbraw/zinc/21/58/43/333215843.db2.gz GDAMENLZJLSRNG-HIFRSBDPSA-N 1 0 254.418 2.681 10 30 CFEERO CCCCCOCc1cc(C#CC[NH3+])ccc1OC ZINC000049611069 520245821 /nfs/dbraw/zinc/24/58/21/520245821.db2.gz NHYFOLBVSWHDLH-UHFFFAOYSA-N 1 0 261.365 2.712 10 30 CFEERO CCC(CC)[N@H+](C)Cc1ccc(F)c(C#CCO)c1 ZINC000049618664 521543057 /nfs/dbraw/zinc/54/30/57/521543057.db2.gz XILZLZHJASZXBV-UHFFFAOYSA-N 1 0 263.356 2.790 10 30 CFEERO CCCN(CC[NH+](C)C)[C@H](CC#N)c1ccccc1 ZINC000055020684 521657707 /nfs/dbraw/zinc/65/77/07/521657707.db2.gz HDSOUWQCVYVFKR-MRXNPFEDSA-N 1 0 259.397 2.915 10 30 CFEERO C#CCCOc1ccc(C[NH2+]CC(C)C)cc1OC ZINC000062731870 518250512 /nfs/dbraw/zinc/25/05/12/518250512.db2.gz NSBSZWQVOCLUFG-UHFFFAOYSA-N 1 0 261.365 2.843 10 30 CFEERO CC(C)(C)NC(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061692073 518745731 /nfs/dbraw/zinc/74/57/31/518745731.db2.gz VEAMVTKRRJVEAO-UHFFFAOYSA-N 1 0 279.771 2.570 10 30 CFEERO CC(C)(C)[NH2+]CCCc1nnc(-c2cccc(C#N)c2)o1 ZINC000050617802 518757248 /nfs/dbraw/zinc/75/72/48/518757248.db2.gz YYBXIGXCCABJED-UHFFFAOYSA-N 1 0 284.363 2.929 10 30 CFEERO CC(C)(C)[NH2+]Cc1nccn1Cc1ccccc1C#N ZINC000051015474 518767394 /nfs/dbraw/zinc/76/73/94/518767394.db2.gz FETBBJYAPZAWKM-UHFFFAOYSA-N 1 0 268.364 2.691 10 30 CFEERO CC(C)(C)SCCOc1ccc(C#CC[NH3+])cc1 ZINC000049611224 518912412 /nfs/dbraw/zinc/91/24/12/518912412.db2.gz DZZIQHRMAYMVIS-UHFFFAOYSA-N 1 0 263.406 2.907 10 30 CFEERO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C#CCCO)cc1 ZINC000049618549 519791105 /nfs/dbraw/zinc/79/11/05/519791105.db2.gz FZCONLDFYWFDDW-OAHLLOKOSA-N 1 0 259.393 2.897 10 30 CFEERO CCC1CCC(NC(=O)c2ccc(C#CC[NH3+])cc2)CC1 ZINC000049124811 519856228 /nfs/dbraw/zinc/85/62/28/519856228.db2.gz VQYNQKANGAZIGH-UHFFFAOYSA-N 1 0 284.403 2.695 10 30 CFEERO CCCN[C@H](C#N)CC[NH+]1CCC(C)(CC)CC1 ZINC000062955900 520060781 /nfs/dbraw/zinc/06/07/81/520060781.db2.gz LIDGTNIZFGVHCP-AWEZNQCLSA-N 1 0 251.418 2.780 10 30 CFEERO CCCC[N@H+](Cc1ccc(C#CCO)cc1)C1CC1 ZINC000049613879 520543902 /nfs/dbraw/zinc/54/39/02/520543902.db2.gz SSSWKVJHQOYTAI-UHFFFAOYSA-N 1 0 257.377 2.795 10 30 CFEERO CC[N@H+](Cc1ccco1)Cc1ccc(C#CCO)cc1 ZINC000049614748 521398235 /nfs/dbraw/zinc/39/82/35/521398235.db2.gz SPDVGJQZFVXNKM-UHFFFAOYSA-N 1 0 269.344 2.646 10 30 CFEERO CCN(Cc1ccco1)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609859 521399132 /nfs/dbraw/zinc/39/91/32/521399132.db2.gz QOPOWPQQGPYLHA-UHFFFAOYSA-N 1 0 286.350 2.751 10 30 CFEERO CCOc1ccccc1OCc1ccc(C#CC[NH3+])cc1 ZINC000049610425 521568947 /nfs/dbraw/zinc/56/89/47/521568947.db2.gz QKNIUUSFERBSKB-UHFFFAOYSA-N 1 0 281.355 2.975 10 30 CFEERO CCCN(Cc1cc(F)ccc1C#N)[C@H]1CCC[NH2+]C1 ZINC000069402162 521681421 /nfs/dbraw/zinc/68/14/21/521681421.db2.gz FMFLZMGZCSTQQQ-INIZCTEOSA-N 1 0 275.371 2.661 10 30 CFEERO CC[C@H]1CCC[N@H+](CCOc2ccc(C#CCO)cc2)C1 ZINC000049613041 523089870 /nfs/dbraw/zinc/08/98/70/523089870.db2.gz NTRKVKNXOKRCCV-INIZCTEOSA-N 1 0 287.403 2.531 10 30 CFEERO CC[C@H]1CCC[N@H+](Cc2ccc(C#CCO)cc2F)C1 ZINC000049613065 523091940 /nfs/dbraw/zinc/09/19/40/523091940.db2.gz BROGWAPFZRTRTR-AWEZNQCLSA-N 1 0 275.367 2.792 10 30 CFEERO CC[C@@H]1CCC[N@@H+]1Cc1ccc(C#CCCO)cc1F ZINC000049615123 523269652 /nfs/dbraw/zinc/26/96/52/523269652.db2.gz BOYVTFDQWOCKCQ-MRXNPFEDSA-N 1 0 275.367 2.934 10 30 CFEERO C[N@H+](Cc1cccc(F)c1)Cc1cccc(C#CCO)c1 ZINC000049617083 523310316 /nfs/dbraw/zinc/31/03/16/523310316.db2.gz WQGKGZDQQZOSGC-UHFFFAOYSA-N 1 0 283.346 2.802 10 30 CFEERO C[N@H+](Cc1ccco1)Cc1cccc(C#CCCO)c1 ZINC000049618215 523435357 /nfs/dbraw/zinc/43/53/57/523435357.db2.gz KHOVMMSESJCQSK-UHFFFAOYSA-N 1 0 269.344 2.646 10 30 CFEERO C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1C#CCO ZINC000049618165 523484924 /nfs/dbraw/zinc/48/49/24/523484924.db2.gz OFHUUDZBRPFFDV-UHFFFAOYSA-N 1 0 289.375 2.863 10 30 CFEERO CC[C@H](C)[N@H+](C)CCOc1ccc(C#CCCO)cc1 ZINC000049617169 523922566 /nfs/dbraw/zinc/92/25/66/523922566.db2.gz VWACQCLXDAFBDD-HNNXBMFYSA-N 1 0 275.392 2.530 10 30 CFEERO COc1ccc(COCc2ccc(C#CC[NH3+])cc2)cc1 ZINC000049610858 524117595 /nfs/dbraw/zinc/11/75/95/524117595.db2.gz SSRZJMSXDGXGQV-UHFFFAOYSA-N 1 0 281.355 2.722 10 30 CFEERO C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#CCCO ZINC000049615269 524119069 /nfs/dbraw/zinc/11/90/69/524119069.db2.gz VZRQZIBKEVOGLN-ZDUSSCGKSA-N 1 0 261.340 2.544 10 30 CFEERO C[C@H](CC[NH3+])Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000311065125 524171825 /nfs/dbraw/zinc/17/18/25/524171825.db2.gz ZTWJJQFAGQBZQK-MRVPVSSYSA-N 1 0 257.259 2.726 10 30 CFEERO C[C@@H]1CCC[N@H+](Cc2cccc(C#CCCO)c2)C1 ZINC000049616090 524235138 /nfs/dbraw/zinc/23/51/38/524235138.db2.gz YFUZOCOBXOJQJI-OAHLLOKOSA-N 1 0 257.377 2.652 10 30 CFEERO C[C@@H]1CCC[N@@H+]1Cc1ccc(C#CCCO)cc1F ZINC000049615207 524262116 /nfs/dbraw/zinc/26/21/16/524262116.db2.gz ZOBZPJNMBOYXFP-CYBMUJFWSA-N 1 0 261.340 2.544 10 30 CFEERO C[C@H]1CCN(c2cc(C#N)c3ccccc3n2)C[C@@H]1C[NH3+] ZINC000164015054 524305190 /nfs/dbraw/zinc/30/51/90/524305190.db2.gz MHUJJTMYWSBVGV-JSGCOSHPSA-N 1 0 280.375 2.528 10 30 CFEERO C[C@H](CN1CCCC1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000049149435 524318531 /nfs/dbraw/zinc/31/85/31/524318531.db2.gz UBQDXQXHMIQDJW-ZIAGYGMSSA-N 1 0 257.381 2.693 10 30 CFEERO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(F)cc1C#CCCO ZINC000049618530 524319442 /nfs/dbraw/zinc/31/94/42/524319442.db2.gz NCDZZKHHKKWDKP-ZDUSSCGKSA-N 1 0 275.367 2.790 10 30 CFEERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C#CCO)cc1 ZINC000049616896 524363952 /nfs/dbraw/zinc/36/39/52/524363952.db2.gz DBYOLTHNVABGBG-GASCZTMLSA-N 1 0 257.377 2.793 10 30 CFEERO C[C@@H](CCC[NH3+])Nc1c(C#N)cnc2ccccc21 ZINC000311858519 524456575 /nfs/dbraw/zinc/45/65/75/524456575.db2.gz JTCXFRDDZCIORJ-NSHDSACASA-N 1 0 254.337 2.646 10 30 CFEERO Cc1ccc(Cl)cc1NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629506 524757559 /nfs/dbraw/zinc/75/75/59/524757559.db2.gz XSFAKXAKNBZEFU-UHFFFAOYSA-N 1 0 299.761 2.606 10 30 CFEERO C[C@H]([NH3+])[C@H]1CCCCN1c1ccc(C#N)c(Cl)c1 ZINC000063196506 524857925 /nfs/dbraw/zinc/85/79/25/524857925.db2.gz CELPRPBSQQENDO-IINYFYTJSA-N 1 0 263.772 2.918 10 30 CFEERO COc1ccc(OCc2ccc(F)c(C#CC[NH3+])c2)cc1 ZINC000049610574 524975873 /nfs/dbraw/zinc/97/58/73/524975873.db2.gz LVHIOJIYZRIONF-UHFFFAOYSA-N 1 0 285.318 2.724 10 30 CFEERO C[C@@H](NC(=O)CC(C)(C)C)c1ccc(C#CC[NH3+])cc1 ZINC000049586780 525076575 /nfs/dbraw/zinc/07/65/75/525076575.db2.gz OGLXEOLUHGGPRS-CYBMUJFWSA-N 1 0 272.392 2.610 10 30 CFEERO Cc1ccccc1OCCOc1cccc(C#CC[NH3+])c1 ZINC000049610508 525304271 /nfs/dbraw/zinc/30/42/71/525304271.db2.gz COVHLUOTQGOTCV-UHFFFAOYSA-N 1 0 281.355 2.763 10 30 CFEERO C[C@@H](NC(=O)c1cccc(C#CC[NH3+])c1)C1CCCCC1 ZINC000052344710 525339982 /nfs/dbraw/zinc/33/99/82/525339982.db2.gz IBFUZLQAWBXRCY-CQSZACIVSA-N 1 0 284.403 2.695 10 30 CFEERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C#CCCO)C1 ZINC000049616602 525386162 /nfs/dbraw/zinc/38/61/62/525386162.db2.gz LCCGYLRXBBKJTL-IYBDPMFKSA-N 1 0 271.404 2.898 10 30 CFEERO Cc1c(Cl)cccc1NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629299 525777952 /nfs/dbraw/zinc/77/79/52/525777952.db2.gz QRCNQFMQNLTUIM-UHFFFAOYSA-N 1 0 299.761 2.606 10 30 CFEERO N#CC[C@@H](c1ccccc1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000055019655 526480935 /nfs/dbraw/zinc/48/09/35/526480935.db2.gz VMUPYLBGWWMCEK-UYTSQGDYSA-N 1 0 255.365 2.595 10 30 CFEERO N#Cc1c(Br)cccc1NCC[C@@H]1CC[NH2+]C1 ZINC000169069906 526517756 /nfs/dbraw/zinc/51/77/56/526517756.db2.gz HSUYKIHLOHOXRN-JTQLQIEISA-N 1 0 294.196 2.732 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1CCC[NH2+]1 ZINC000053255113 526546022 /nfs/dbraw/zinc/54/60/22/526546022.db2.gz JRBOUJVCBYJYHE-LLVKDONJSA-N 1 0 269.270 2.741 10 30 CFEERO N#Cc1cc(NC(=O)CCC2CC[NH2+]CC2)ccc1Cl ZINC000050944027 526566027 /nfs/dbraw/zinc/56/60/27/526566027.db2.gz JLFISJAIPJYJEM-UHFFFAOYSA-N 1 0 291.782 2.930 10 30 CFEERO N#Cc1ccc(NCC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000214331767 526662891 /nfs/dbraw/zinc/66/28/91/526662891.db2.gz GIYSHOJKOHRDAP-SNVBAGLBSA-N 1 0 294.196 2.732 10 30 CFEERO Cc1occc1C(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061692005 526813761 /nfs/dbraw/zinc/81/37/61/526813761.db2.gz NADAAHQUSFIORG-UHFFFAOYSA-N 1 0 288.734 2.804 10 30 CFEERO N[NH+]=C(NC1CCCC1)[C@@H]1CCCc2ccccc21 ZINC000054669734 526816202 /nfs/dbraw/zinc/81/62/02/526816202.db2.gz FOPRPZGHIOZASK-OAHLLOKOSA-N 1 0 257.381 2.911 10 30 CFEERO [NH3+]CC#Cc1ccc(CNC(=O)c2cccc(Cl)c2)cc1 ZINC000049586282 527149651 /nfs/dbraw/zinc/14/96/51/527149651.db2.gz FJERLYBPOWOOOP-UHFFFAOYSA-N 1 0 298.773 2.580 10 30 CFEERO [NH3+]CC#Cc1cccc(COc2ccc(F)c(F)c2)c1 ZINC000049611079 527152938 /nfs/dbraw/zinc/15/29/38/527152938.db2.gz WBPXDOFZUTXXBU-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO [NH3+]CC#Cc1cccc(COc2ccc(F)cc2)c1 ZINC000049610520 527153070 /nfs/dbraw/zinc/15/30/70/527153070.db2.gz PXCKFYULDNZYQV-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO [NH3+]CC#Cc1ccccc1COCc1ccccc1 ZINC000049610342 527155057 /nfs/dbraw/zinc/15/50/57/527155057.db2.gz OMMBNHOAPXEYEY-UHFFFAOYSA-N 1 0 251.329 2.714 10 30 CFEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000120566015 617730222 /nfs/dbraw/zinc/73/02/22/617730222.db2.gz RCIPHCAAAAXLRA-ZIAGYGMSSA-N 1 0 286.419 2.773 10 30 CFEERO C#CCC[NH2+]Cc1ccc(C)cc1Br ZINC000129625991 617909030 /nfs/dbraw/zinc/90/90/30/617909030.db2.gz GPFVHXKNSLIZHL-UHFFFAOYSA-N 1 0 252.155 2.870 10 30 CFEERO CC(C)C[C@H](CN(C)C)[NH2+]CC#Cc1ccccc1 ZINC000051814338 618078174 /nfs/dbraw/zinc/07/81/74/618078174.db2.gz NKSZSPJQFKESJT-QGZVFWFLSA-N 1 0 258.409 2.604 10 30 CFEERO N#Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)ccc1C(F)(F)F ZINC000261696552 618099712 /nfs/dbraw/zinc/09/97/12/618099712.db2.gz NWEFCQHUSFLJMU-AWEZNQCLSA-N 1 0 295.308 2.767 10 30 CFEERO Cc1cc(C#N)cc(NC[C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000261771876 618425855 /nfs/dbraw/zinc/42/58/55/618425855.db2.gz WBXHAZIPTBVDLH-INIZCTEOSA-N 1 0 278.359 2.561 10 30 CFEERO CCc1ccc(NC(=[NH2+])NCc2cn3c(n2)CCCC3)cc1 ZINC000261993834 619360667 /nfs/dbraw/zinc/36/06/67/619360667.db2.gz NBPYCYXMGNFNKW-UHFFFAOYSA-N 1 0 297.406 2.709 10 30 CFEERO C#C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000122987103 639536896 /nfs/dbraw/zinc/53/68/96/639536896.db2.gz UIBAIKJMCJKRAE-MELADBBJSA-N 1 0 280.412 2.633 10 30 CFEERO C=C[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000123209424 639739935 /nfs/dbraw/zinc/73/99/35/639739935.db2.gz XWFUBJLCSKPGIH-OLZOCXBDSA-N 1 0 268.401 2.798 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000094337549 650956596 /nfs/dbraw/zinc/95/65/96/650956596.db2.gz SWQVAUMMQMIVKX-SCZZXKLOSA-N 1 0 284.285 2.511 10 30 CFEERO N#CCOc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000034990851 648950289 /nfs/dbraw/zinc/95/02/89/648950289.db2.gz IVSZGTYJPHARKC-UHFFFAOYSA-N 1 0 266.344 2.921 10 30 CFEERO Cc1ccccc1CCNC(=O)C[N+](C)(C)C1CCCC1 ZINC000029414736 717119028 /nfs/dbraw/zinc/11/90/28/717119028.db2.gz RFVJVZDIUSIWEW-UHFFFAOYSA-O 1 0 289.443 2.673 10 30 CFEERO N#CCC[N+]1(CC(=O)c2ccccc2)CCCCC1 ZINC000033638914 717121367 /nfs/dbraw/zinc/12/13/67/717121367.db2.gz RJWBMLVHWRTEQJ-UHFFFAOYSA-N 1 0 257.357 2.784 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1NCC12CC(C1)C[NH2+]2 ZINC000596026368 349777943 /nfs/dbraw/zinc/77/79/43/349777943.db2.gz IMAFUFULNDITKX-UHFFFAOYSA-N 1 0 281.281 2.741 10 30 CFEERO CC(C)[C@H]([NH3+])CCNc1ccc(C#N)c(Cl)c1 ZINC000596029859 349778688 /nfs/dbraw/zinc/77/86/88/349778688.db2.gz CLUOPHZABDOIAM-CYBMUJFWSA-N 1 0 251.761 2.997 10 30 CFEERO C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1[NH+](C)C ZINC000127865095 187337714 /nfs/dbraw/zinc/33/77/14/187337714.db2.gz GHYDZDUGFMKMMJ-HZMBPMFUSA-N 1 0 297.324 2.963 10 30 CFEERO CN(CCC[NH2+][C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000054823351 346577206 /nfs/dbraw/zinc/57/72/06/346577206.db2.gz MGAAHXSJMPZEMH-GDBMZVCRSA-N 1 0 257.381 2.795 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N1CCC(CC[NH3+])CC1 ZINC000094337499 347695184 /nfs/dbraw/zinc/69/51/84/347695184.db2.gz XMBOXELCWDMZEO-UHFFFAOYSA-N 1 0 298.312 2.537 10 30 CFEERO C=C(Br)COc1ccc(C[NH2+]CCC)nc1 ZINC000086791153 179336282 /nfs/dbraw/zinc/33/62/82/179336282.db2.gz YRNZOLUTOYYTHR-UHFFFAOYSA-N 1 0 285.185 2.869 10 30 CFEERO CC(C)(/C=N/[O-])/[N+]([O-])=C/c1ccccc1C(F)(F)F ZINC000225403794 348177510 /nfs/dbraw/zinc/17/75/10/348177510.db2.gz IDIFLEUWXIWVNV-SQVFTCCMSA-O 1 0 275.250 2.765 10 30 CFEERO C[NH+](C)CCN1CCC(C#N)(CCc2ccccc2)CC1 ZINC000219250746 348168265 /nfs/dbraw/zinc/16/82/65/348168265.db2.gz QNLZTVKENDILBM-UHFFFAOYSA-N 1 0 285.435 2.787 10 30 CFEERO CNC(=[NH2+])c1ccc(C=C2CCCCCC2=O)cc1 ZINC000222298166 348173367 /nfs/dbraw/zinc/17/33/67/348173367.db2.gz NDDJFCLTQQCOQZ-SDNWHVSQSA-N 1 0 256.349 2.938 10 30 CFEERO C=CCc1cc(C2=[NH+]CCN2)ccc1OCCCC ZINC000225793952 348180352 /nfs/dbraw/zinc/18/03/52/348180352.db2.gz WIKFXDXNYUIDHU-UHFFFAOYSA-N 1 0 258.365 2.944 10 30 CFEERO C#C[C@@H]([NH3+])c1cc(Br)sc1Br ZINC000236301527 348232659 /nfs/dbraw/zinc/23/26/59/348232659.db2.gz ICVLPHDKEWRZMC-RXMQYKEDSA-N 1 0 294.999 2.906 10 30 CFEERO CC[C@@H]1CN(c2c(C#N)cnc3ccccc32)CC[C@H]1[NH3+] ZINC000251915162 348294781 /nfs/dbraw/zinc/29/47/81/348294781.db2.gz YAJATSADHCUPAG-IUODEOHRSA-N 1 0 280.375 2.670 10 30 CFEERO N#Cc1ccc(NCCC2(C[NH3+])CC2)c(Br)c1 ZINC000404680678 348594235 /nfs/dbraw/zinc/59/42/35/348594235.db2.gz KGXUZSXYGWAURM-UHFFFAOYSA-N 1 0 294.196 2.862 10 30 CFEERO Cc1ccc(S(=O)(=O)O[C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC000584601544 348685719 /nfs/dbraw/zinc/68/57/19/348685719.db2.gz XGIDNKYKUHPTQG-GJZGRUSLSA-N 1 0 297.420 2.573 10 30 CFEERO C=C[C@@H](C)CC1([C@@H]([NH3+])Cc2ccccc2)OCCO1 ZINC000584614833 348690773 /nfs/dbraw/zinc/69/07/73/348690773.db2.gz LCEOWEGJBRZFRJ-HIFRSBDPSA-N 1 0 261.365 2.512 10 30 CFEERO CCC[NH2+]Cc1cccn1Cc1ccccc1C#N ZINC000090996114 180083302 /nfs/dbraw/zinc/08/33/02/180083302.db2.gz YTFKZKGFUXZOPS-UHFFFAOYSA-N 1 0 253.349 2.908 10 30 CFEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc(C#N)c(Cl)c1)C2 ZINC000600955609 350636507 /nfs/dbraw/zinc/63/65/07/350636507.db2.gz DWUGJEBKHFDBKE-GASCZTMLSA-N 1 0 275.783 2.647 10 30 CFEERO N#Cc1ccc(NC[C@@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000133790648 187707231 /nfs/dbraw/zinc/70/72/31/187707231.db2.gz NUMRBZMZAXMJRE-SECBINFHSA-N 1 0 269.270 2.598 10 30 CFEERO N#Cc1ccccc1[C@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616670306 352406193 /nfs/dbraw/zinc/40/61/93/352406193.db2.gz FSUKZYGQZSEVKY-INIZCTEOSA-N 1 0 277.371 2.663 10 30 CFEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000178293021 189103517 /nfs/dbraw/zinc/10/35/17/189103517.db2.gz CNNODTQEYPRGAR-KRWDZBQOSA-N 1 0 280.375 2.728 10 30 CFEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000180130479 189238950 /nfs/dbraw/zinc/23/89/50/189238950.db2.gz ANMXEPYOYJONME-ZDUSSCGKSA-N 1 0 286.404 2.789 10 30 CFEERO CCC[N@@H+]1CC[C@H](CNc2cc(C)nc(C)c2C#N)C1 ZINC000301754063 201178670 /nfs/dbraw/zinc/17/86/70/201178670.db2.gz CFRAAANHDHLOSM-CQSZACIVSA-N 1 0 272.396 2.714 10 30 CFEERO Cc1cc(NCC[N@H+]2CCC[C@H](C)C2)c(C#N)c(C)n1 ZINC000301812281 201212514 /nfs/dbraw/zinc/21/25/14/201212514.db2.gz ZZJJTHYGDVLOKQ-LBPRGKRZSA-N 1 0 272.396 2.714 10 30 CFEERO CC(C)C[NH+]1CCC(Nc2c(C#N)cccc2C#N)CC1 ZINC000302668678 201502994 /nfs/dbraw/zinc/50/29/94/201502994.db2.gz JWXGCHHHXAXHKY-UHFFFAOYSA-N 1 0 282.391 2.962 10 30 CFEERO C#CCOC[C@@H](O)C[N@H+](Cc1ccc(C)s1)CC(C)C ZINC000036100993 372558694 /nfs/dbraw/zinc/55/86/94/372558694.db2.gz QFEGIMSSDMLBIC-HNNXBMFYSA-N 1 0 295.448 2.525 10 30 CFEERO C=C[C@](C)(O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036115424 372560788 /nfs/dbraw/zinc/56/07/88/372560788.db2.gz ALXXMKDEYFKHDO-IRXDYDNUSA-N 1 0 293.382 2.744 10 30 CFEERO N#Cc1ccc(N2CCC(C[NH3+])CC2)cc1C(F)(F)F ZINC000044514610 373004748 /nfs/dbraw/zinc/00/47/48/373004748.db2.gz NKJBDZKAHAJLBM-UHFFFAOYSA-N 1 0 283.297 2.752 10 30 CFEERO C#CCOc1ccc2ccccc2c1C[NH2+][C@@H](CC)CO ZINC000045945655 373039338 /nfs/dbraw/zinc/03/93/38/373039338.db2.gz OTPNMZDZTHCDEA-HNNXBMFYSA-N 1 0 283.371 2.712 10 30 CFEERO N#Cc1cc(NC[C@H]2CCC[NH2+]C2)nc2ccccc12 ZINC000068770853 374038353 /nfs/dbraw/zinc/03/83/53/374038353.db2.gz IXIQDCKHPRPZAK-LBPRGKRZSA-N 1 0 266.348 2.518 10 30 CFEERO N#Cc1cc(N2CCC[C@H](CC[NH3+])C2)nc2ccccc12 ZINC000070171326 374137523 /nfs/dbraw/zinc/13/75/23/374137523.db2.gz PRYXMACXKINABV-CYBMUJFWSA-N 1 0 280.375 2.672 10 30 CFEERO C=CCC[C@@H](CC)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732897 374942205 /nfs/dbraw/zinc/94/22/05/374942205.db2.gz RIXKPTPTTAJELU-CABCVRRESA-N 1 0 274.412 2.780 10 30 CFEERO C=CCC[C@H](CC)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732896 374943197 /nfs/dbraw/zinc/94/31/97/374943197.db2.gz RIXKPTPTTAJELU-GJZGRUSLSA-N 1 0 274.412 2.780 10 30 CFEERO C[C@@H]([NH3+])[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000094337492 375351640 /nfs/dbraw/zinc/35/16/40/375351640.db2.gz YOOCWUPERUWWOE-KOLCDFICSA-N 1 0 298.312 2.536 10 30 CFEERO CC(C)C[C@@H](C[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000094337467 375352662 /nfs/dbraw/zinc/35/26/62/375352662.db2.gz KPTLAQXROFGPGI-JTQLQIEISA-N 1 0 286.301 2.757 10 30 CFEERO CCc1nccn1[C@@H]1CCCN(c2cccc(C#N)n2)C1 ZINC000122935359 376942641 /nfs/dbraw/zinc/94/26/41/376942641.db2.gz MRDRJLKIHZTZTN-CQSZACIVSA-N 1 0 281.363 2.554 10 30 CFEERO C=CCC[C@@H](O)CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000124977701 377105464 /nfs/dbraw/zinc/10/54/64/377105464.db2.gz CBNFRXJWYNYJAK-CHWSQXEVSA-N 1 0 279.384 2.657 10 30 CFEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000128022558 377311754 /nfs/dbraw/zinc/31/17/54/377311754.db2.gz MYFRKMXJNXGCNL-HUUCEWRRSA-N 1 0 277.412 2.501 10 30 CFEERO C[C@@]1(CNc2nc3c(cc2C#N)CCCC3)CCC[NH2+]C1 ZINC000129399746 377422337 /nfs/dbraw/zinc/42/23/37/377422337.db2.gz YMYCRDAFVHWRHH-QGZVFWFLSA-N 1 0 284.407 2.634 10 30 CFEERO N#Cc1cc(F)ccc1N1CCC([NH2+]CC2CC2)CC1 ZINC000133704960 377950984 /nfs/dbraw/zinc/95/09/84/377950984.db2.gz OMGVSJZPLVUGLM-UHFFFAOYSA-N 1 0 273.355 2.666 10 30 CFEERO N#Cc1cc(F)c(N[C@@H]2CCCC[C@H]2C[NH3+])c(F)c1 ZINC000133699334 377951233 /nfs/dbraw/zinc/95/12/33/377951233.db2.gz LVINBNIPILOJIU-GXFFZTMASA-N 1 0 265.307 2.766 10 30 CFEERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000151854405 378365583 /nfs/dbraw/zinc/36/55/83/378365583.db2.gz VAEJHUZYEVNADB-ZQIUZPCESA-N 1 0 271.408 2.938 10 30 CFEERO N#Cc1cc(Br)ccc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000335583149 379556012 /nfs/dbraw/zinc/55/60/12/379556012.db2.gz VPAQWJNZCKFHKJ-SKDRFNHKSA-N 1 0 294.196 2.860 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ncc(C#N)cc1Cl ZINC000175168215 380011914 /nfs/dbraw/zinc/01/19/14/380011914.db2.gz XJHLHZGSLMNDPH-GFCCVEGCSA-N 1 0 278.787 2.527 10 30 CFEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000180132115 380624390 /nfs/dbraw/zinc/62/43/90/380624390.db2.gz AFVLVPSFEWANLI-AWEZNQCLSA-N 1 0 286.404 2.789 10 30 CFEERO CC[C@H](CC#N)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400367214 380856610 /nfs/dbraw/zinc/85/66/10/380856610.db2.gz SBYUIAGAEWKNPC-HZSPNIEDSA-N 1 0 295.427 2.914 10 30 CFEERO C#C[C@H]([NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000400434210 380858651 /nfs/dbraw/zinc/85/86/51/380858651.db2.gz KWSNPWDHAPSAKF-ILXRZTDVSA-N 1 0 294.439 2.879 10 30 CFEERO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1cccs1 ZINC000182225145 381030419 /nfs/dbraw/zinc/03/04/19/381030419.db2.gz VPYCDZSDXPPQEY-GFCCVEGCSA-N 1 0 264.394 2.599 10 30 CFEERO C=CC[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000189094894 382540679 /nfs/dbraw/zinc/54/06/79/382540679.db2.gz SCGFJJCEDKCMID-HOTGVXAUSA-N 1 0 272.392 2.509 10 30 CFEERO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(-n2ccnc2)c1 ZINC000189893618 382644310 /nfs/dbraw/zinc/64/43/10/382644310.db2.gz DDETZEUOSBLQLS-LSDHHAIUSA-N 1 0 293.374 2.966 10 30 CFEERO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398771642 382636334 /nfs/dbraw/zinc/63/63/34/382636334.db2.gz HGPFXCSXOSSCPI-RRFJBIMHSA-N 1 0 264.413 2.799 10 30 CFEERO CC#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248401449 383236407 /nfs/dbraw/zinc/23/64/07/383236407.db2.gz ZMGXYALXQLKPNI-SOUVJXGZSA-N 1 0 292.423 2.635 10 30 CFEERO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253090588 383442934 /nfs/dbraw/zinc/44/29/34/383442934.db2.gz IGBHZRMHGKAKPI-RRFJBIMHSA-N 1 0 264.413 2.942 10 30 CFEERO CO[C@H]1CCC12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000257179642 383489697 /nfs/dbraw/zinc/48/96/97/383489697.db2.gz JCRHPTRQNPOXJO-INIZCTEOSA-N 1 0 270.376 2.949 10 30 CFEERO N#Cc1cc2c(nc1NCc1ccc3c(c1)C[NH2+]C3)CCC2 ZINC000262543773 383626465 /nfs/dbraw/zinc/62/64/65/383626465.db2.gz RLDPUPFEVMHUSJ-UHFFFAOYSA-N 1 0 290.370 2.657 10 30 CFEERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000282342330 385287420 /nfs/dbraw/zinc/28/74/20/385287420.db2.gz VECPDPHVNCIICA-DABQJJPHSA-N 1 0 276.355 2.991 10 30 CFEERO CCn1cnnc1[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000191979660 130344043 /nfs/dbraw/zinc/34/40/43/130344043.db2.gz KAEGGCWPVCLAJE-QGZVFWFLSA-N 1 0 294.402 2.529 10 30 CFEERO Cc1cc(C#N)ccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000186194756 393542323 /nfs/dbraw/zinc/54/23/23/393542323.db2.gz YHNFIPAEYQQRLN-UHFFFAOYSA-N 1 0 280.375 2.969 10 30 CFEERO C#CCOC[C@@H](O)C[N@H+](Cc1ccc(C)cc1)[C@@H](C)CC ZINC000036101847 393521844 /nfs/dbraw/zinc/52/18/44/393521844.db2.gz BYWQWYJDGNOUOC-WMZOPIPTSA-N 1 0 289.419 2.606 10 30 CFEERO C=CCC[C@H](O)C[N@@H+](CCOC)Cc1ccsc1 ZINC000036099269 393521946 /nfs/dbraw/zinc/52/19/46/393521946.db2.gz WTIYFURMCDSJCV-AWEZNQCLSA-N 1 0 269.410 2.524 10 30 CFEERO CC(C)[N@H+]1C[C@H](Nc2ncc(C#N)cc2Cl)[C@@H](C)C1 ZINC000129830147 394095298 /nfs/dbraw/zinc/09/52/98/394095298.db2.gz FDYVAWNALYDUPU-GWCFXTLKSA-N 1 0 278.787 2.747 10 30 CFEERO CC#C[C@@]1(O)CCC[C@@H](OCC[NH+](C(C)C)C(C)C)C1 ZINC000005158113 170071632 /nfs/dbraw/zinc/07/16/32/170071632.db2.gz RACBOBKMDDZSAZ-IAGOWNOFSA-N 1 0 281.440 2.819 10 30 CFEERO C=CCn1c[n+](CC(=O)c2ccccc2)c2ccccc21 ZINC000005283183 170082331 /nfs/dbraw/zinc/08/23/31/170082331.db2.gz MERVSHODEIGTIA-UHFFFAOYSA-N 1 0 277.347 2.998 10 30 CFEERO C=CC[NH2+]CC[C@@H]1CCC(=O)N1Cc1cc(F)ccc1F ZINC000014953320 170649520 /nfs/dbraw/zinc/64/95/20/170649520.db2.gz OHUGPPSUVXWARS-AWEZNQCLSA-N 1 0 294.345 2.622 10 30 CFEERO CC1CC[NH+](CCOc2ccc(CC#N)cc2)CC1 ZINC000034673833 171859817 /nfs/dbraw/zinc/85/98/17/171859817.db2.gz VNIVKNHXUGILOK-UHFFFAOYSA-N 1 0 258.365 2.863 10 30 CFEERO C#CCN1CCC([NH2+]C[C@@H](CC)CCCC)CC1 ZINC000037219531 173036855 /nfs/dbraw/zinc/03/68/55/173036855.db2.gz OYIGFPYKHAMZCK-HNNXBMFYSA-N 1 0 250.430 2.890 10 30 CFEERO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1CCCC1 ZINC000037386819 173170196 /nfs/dbraw/zinc/17/01/96/173170196.db2.gz ZDEOBEJJBHRWDJ-UHFFFAOYSA-N 1 0 277.755 2.682 10 30 CFEERO C#CCOc1c(Cl)cc(C[NH2+]C2CC2)cc1OC ZINC000037486609 173229866 /nfs/dbraw/zinc/22/98/66/173229866.db2.gz XYGILARUZIVXCI-UHFFFAOYSA-N 1 0 265.740 2.613 10 30 CFEERO N#Cc1ccc(COc2ccccc2CC[NH3+])cc1 ZINC000037720494 173639065 /nfs/dbraw/zinc/63/90/65/173639065.db2.gz NNFCVFIOGBPVGW-UHFFFAOYSA-N 1 0 252.317 2.638 10 30 CFEERO C#CCOc1ccc(Br)cc1C[C@@H]([NH3+])CC ZINC000037725396 173644009 /nfs/dbraw/zinc/64/40/09/173644009.db2.gz UDYPQEGDMFGKQU-LBPRGKRZSA-N 1 0 282.181 2.741 10 30 CFEERO C=CCC1(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000662889232 414628266 /nfs/dbraw/zinc/62/82/66/414628266.db2.gz TXRKQTWQAMKDGJ-STQMWFEESA-N 1 0 250.386 2.509 10 30 CFEERO Cc1cc(C)c(C#N)c(NC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000038029256 174019496 /nfs/dbraw/zinc/01/94/96/174019496.db2.gz AOWGTPPSIUYTJE-CQSZACIVSA-N 1 0 272.396 2.856 10 30 CFEERO C=C(C)CN(CC)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000042326909 174686072 /nfs/dbraw/zinc/68/60/72/174686072.db2.gz KKUJJDLWYAAQSE-UHFFFAOYSA-N 1 0 286.419 2.732 10 30 CFEERO Cc1c(F)cccc1NC(=O)c1ccccc1C#CC[NH3+] ZINC000043322873 175006382 /nfs/dbraw/zinc/00/63/82/175006382.db2.gz DJGBJJHLXICDKO-UHFFFAOYSA-N 1 0 282.318 2.697 10 30 CFEERO Cc1ccc(C#N)c(NC[C@H](C)[NH+]2CCCCC2)n1 ZINC000043395581 175035575 /nfs/dbraw/zinc/03/55/75/175035575.db2.gz IPAXRYNBAHIJER-ZDUSSCGKSA-N 1 0 258.369 2.548 10 30 CFEERO C[C@H](C#N)Oc1ccc(Cl)cc1C[NH2+]C1CC1 ZINC000043513458 175061593 /nfs/dbraw/zinc/06/15/93/175061593.db2.gz KEICKXJDQCPXOD-SECBINFHSA-N 1 0 250.729 2.883 10 30 CFEERO CCOc1cccc(C[NH2+]C(C)C)c1O[C@H](C)C#N ZINC000043513524 175061623 /nfs/dbraw/zinc/06/16/23/175061623.db2.gz INHUDGPOGIPWTK-GFCCVEGCSA-N 1 0 262.353 2.874 10 30 CFEERO C[C@@H](C#N)Oc1c(Br)cccc1C[NH2+]C1CC1 ZINC000043513848 175061761 /nfs/dbraw/zinc/06/17/61/175061761.db2.gz CKNDQBUVPYFAQJ-VIFPVBQESA-N 1 0 295.180 2.992 10 30 CFEERO CC[C@@H]([NH3+])Cc1cc(Cl)c(O[C@@H](C)C#N)c(OC)c1 ZINC000043518540 175062146 /nfs/dbraw/zinc/06/21/46/175062146.db2.gz ZIXWJDVBIAPNKF-GXSJLCMTSA-N 1 0 282.771 2.919 10 30 CFEERO CC[C@@H](C#N)Oc1ccc(C[NH2+]C(C)C)cc1OC ZINC000043538770 175063950 /nfs/dbraw/zinc/06/39/50/175063950.db2.gz QWTMMMXZPOCLLO-ZDUSSCGKSA-N 1 0 262.353 2.874 10 30 CFEERO CCCOc1ccc(CC[NH3+])c(O[C@H](C#N)CC)c1 ZINC000043543466 175064208 /nfs/dbraw/zinc/06/42/08/175064208.db2.gz LIKZZIJKJZZRMJ-ZDUSSCGKSA-N 1 0 262.353 2.658 10 30 CFEERO CCCOc1ccc(CC[NH3+])c(O[C@@H](C#N)CC)c1 ZINC000043543467 175064398 /nfs/dbraw/zinc/06/43/98/175064398.db2.gz LIKZZIJKJZZRMJ-CYBMUJFWSA-N 1 0 262.353 2.658 10 30 CFEERO CC[C@H]1CCCCN1C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043582904 175070056 /nfs/dbraw/zinc/07/00/56/175070056.db2.gz ODRCMDZJYFGXAB-HNNXBMFYSA-N 1 0 288.366 2.541 10 30 CFEERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000043588620 175073178 /nfs/dbraw/zinc/07/31/78/175073178.db2.gz VWSNRKGSPCVLKZ-UKRRQHHQSA-N 1 0 285.391 2.515 10 30 CFEERO C[N@H+](Cc1sccc1C#CCO)Cc1ccc(F)cc1 ZINC000043678665 175089929 /nfs/dbraw/zinc/08/99/29/175089929.db2.gz VOPZZXDLGNGVOX-UHFFFAOYSA-N 1 0 289.375 2.863 10 30 CFEERO CC[C@H](C)C[N@H+](C)Cc1sccc1C#CCCO ZINC000043679571 175090392 /nfs/dbraw/zinc/09/03/92/175090392.db2.gz VUZMOINTVCSZJC-ZDUSSCGKSA-N 1 0 265.422 2.960 10 30 CFEERO [NH3+]CC#Cc1ccsc1CN(Cc1ccco1)C1CC1 ZINC000043684248 175092873 /nfs/dbraw/zinc/09/28/73/175092873.db2.gz NBAPPCHHTCSREP-UHFFFAOYSA-N 1 0 286.400 2.816 10 30 CFEERO N#Cc1ccc(OCc2sccc2C#CC[NH3+])cc1 ZINC000043684846 175093589 /nfs/dbraw/zinc/09/35/89/175093589.db2.gz QJECTVAKYKCEIV-UHFFFAOYSA-N 1 0 268.341 2.509 10 30 CFEERO [NH3+]CC#Cc1ccsc1COCc1cccs1 ZINC000043685416 175093680 /nfs/dbraw/zinc/09/36/80/175093680.db2.gz KRGHJSFATCMTAE-UHFFFAOYSA-N 1 0 263.387 2.837 10 30 CFEERO Cc1nnc(SCc2sccc2C#CC[NH3+])s1 ZINC000043685839 175093683 /nfs/dbraw/zinc/09/36/83/175093683.db2.gz CSRCJYWAZWZGPF-UHFFFAOYSA-N 1 0 281.431 2.511 10 30 CFEERO COc1cc(C)ccc1OCc1sccc1C#CC[NH3+] ZINC000043685117 175093957 /nfs/dbraw/zinc/09/39/57/175093957.db2.gz MOXOFKLJKJFKDY-UHFFFAOYSA-N 1 0 287.384 2.954 10 30 CFEERO Cc1ccc(OCc2sccc2C#CC[NH3+])cc1 ZINC000043684985 175094154 /nfs/dbraw/zinc/09/41/54/175094154.db2.gz VQNUXVNWSMUQQK-UHFFFAOYSA-N 1 0 257.358 2.946 10 30 CFEERO CC1([NH2+]C[C@H](O)c2ccc(C#N)cc2)CCCCC1 ZINC000045045159 175296078 /nfs/dbraw/zinc/29/60/78/175296078.db2.gz CQXLYLOZFZNEDD-HNNXBMFYSA-N 1 0 258.365 2.904 10 30 CFEERO CC(C)[N@@H+]1CC[C@@H](CNCc2cc(C#N)ccc2F)C1 ZINC000045135231 175312638 /nfs/dbraw/zinc/31/26/38/175312638.db2.gz QOWJVPCGTVTHRW-AWEZNQCLSA-N 1 0 275.371 2.517 10 30 CFEERO C[C@@H]1CCCN(C(=[NH2+])N[C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000245912508 260825134 /nfs/dbraw/zinc/82/51/34/260825134.db2.gz PUJGBTXKRDFYTE-UGFHNGPFSA-N 1 0 275.371 2.728 10 30 CFEERO C=CCOc1ccccc1C[NH2+]CCn1cc(C)cn1 ZINC000105908724 261363453 /nfs/dbraw/zinc/36/34/53/261363453.db2.gz PQXNDYPCMYMQSL-UHFFFAOYSA-N 1 0 271.364 2.546 10 30 CFEERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328804741 263863883 /nfs/dbraw/zinc/86/38/83/263863883.db2.gz LOKLSZLUHVMIOG-RWMBFGLXSA-N 1 0 281.400 2.715 10 30 CFEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1c(C#N)cnc2ccccc21 ZINC000229599368 274420138 /nfs/dbraw/zinc/42/01/38/274420138.db2.gz BXJJDTQSZDPCIN-SMDDNHRTSA-N 1 0 266.348 2.659 10 30 CFEERO C[C@H]1[C@H]([NH3+])CCN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000261585394 280114691 /nfs/dbraw/zinc/11/46/91/280114691.db2.gz IKEGZOSJICJUOZ-QPUJVOFHSA-N 1 0 269.270 2.503 10 30 CFEERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000381701916 324421753 /nfs/dbraw/zinc/42/17/53/324421753.db2.gz HDZKPCNTQSFHJR-HTQZYQBOSA-N 1 0 257.259 2.725 10 30 CFEERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N ZINC000389716759 324519277 /nfs/dbraw/zinc/51/92/77/324519277.db2.gz AIMFYGSYPILKOB-RNCFNFMXSA-N 1 0 283.297 2.987 10 30 CFEERO CCc1nccn1[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000105897828 327242849 /nfs/dbraw/zinc/24/28/49/327242849.db2.gz KNCXBAHCCFDFDD-CQSZACIVSA-N 1 0 260.385 2.776 10 30 CFEERO C=CCCC[C@@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000181095520 329226221 /nfs/dbraw/zinc/22/62/21/329226221.db2.gz KFRQRMGJHDPXCQ-HUUCEWRRSA-N 1 0 279.428 2.611 10 30 CFEERO C#CCOc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000113336660 329542935 /nfs/dbraw/zinc/54/29/35/329542935.db2.gz ALHIOZNHFYRZQQ-KRWDZBQOSA-N 1 0 279.339 2.922 10 30 CFEERO CC[NH+]=C(NCc1nnc(C(C)C)s1)N[C@H]1CC1(C)C ZINC000261831747 329985788 /nfs/dbraw/zinc/98/57/88/329985788.db2.gz VNLUGLGWPHRYRD-JTQLQIEISA-N 1 0 295.456 2.515 10 30 CFEERO C[C@H]1C[C@@H]1NC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000262231533 330002116 /nfs/dbraw/zinc/00/21/16/330002116.db2.gz ABRHXEJDOIGWGO-XVKPBYJWSA-N 1 0 273.258 2.720 10 30 CFEERO C=C(C)CNC(=[NH2+])NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000262253038 330002846 /nfs/dbraw/zinc/00/28/46/330002846.db2.gz DEPMFROAJQEBQV-GHMZBOCLSA-N 1 0 277.334 2.836 10 30 CFEERO C=CCNC(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)=[NH+]C ZINC000262358789 330007811 /nfs/dbraw/zinc/00/78/11/330007811.db2.gz GIZZWDJLKQPABP-JOYOIKCWSA-N 1 0 281.762 2.686 10 30 CFEERO [NH2+]=C(NCC1(C(F)F)CC1)Nc1ccc2c(c1)CCC2 ZINC000262424708 330009568 /nfs/dbraw/zinc/00/95/68/330009568.db2.gz CGBSKIVVXSTHCB-UHFFFAOYSA-N 1 0 279.334 2.947 10 30 CFEERO CC[C@H](C)NC(N[C@@H]1C[C@]1(C)c1ccccc1OC)=[NH+]C ZINC000262359449 330010601 /nfs/dbraw/zinc/01/06/01/330010601.db2.gz GNTPUEPJUPZJPJ-XGWLTEMNSA-N 1 0 289.423 2.689 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N(C)Cc1ccc(Cl)cc1 ZINC000262567803 330021852 /nfs/dbraw/zinc/02/18/52/330021852.db2.gz MEPXEFRDRQAFTA-GXFFZTMASA-N 1 0 265.788 2.756 10 30 CFEERO COc1ccccc1[C@]1(C)C[C@H]1NC(=[NH2+])NC1CCCC1 ZINC000262681226 330026549 /nfs/dbraw/zinc/02/65/49/330026549.db2.gz SSBCFUCKQGBNIG-WBVHZDCISA-N 1 0 287.407 2.572 10 30 CFEERO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262771009 330030368 /nfs/dbraw/zinc/03/03/68/330030368.db2.gz HHSKOQDHZHOWHN-CHIMOYNISA-N 1 0 281.350 2.914 10 30 CFEERO [NH2+]=C(NCC1CCC1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262839802 330035115 /nfs/dbraw/zinc/03/51/15/330035115.db2.gz UCUVEYMMWGLUTB-NNUKFRKNSA-N 1 0 293.361 2.915 10 30 CFEERO [NH2+]=C(NCCc1cccs1)N[C@@H]1CCC12CCCC2 ZINC000263285186 330051578 /nfs/dbraw/zinc/05/15/78/330051578.db2.gz UHLWEGXFMWBEBJ-CYBMUJFWSA-N 1 0 277.437 2.918 10 30 CFEERO C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)cc1 ZINC000424076446 330220727 /nfs/dbraw/zinc/22/07/27/330220727.db2.gz LVCQVCTVHGLYSD-ZWNOBZJWSA-N 1 0 279.771 2.538 10 30 CFEERO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)c(C)c1 ZINC000424104642 330234136 /nfs/dbraw/zinc/23/41/36/330234136.db2.gz UZAWQCOTKOZSQT-ZFWWWQNUSA-N 1 0 273.380 2.502 10 30 CFEERO C#C[C@H](CC)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400331734 332707195 /nfs/dbraw/zinc/70/71/95/332707195.db2.gz DAIBDHZYMFDQDS-MELADBBJSA-N 1 0 280.412 2.633 10 30 CFEERO C#C[C@H](CC)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000229896674 333311205 /nfs/dbraw/zinc/31/12/05/333311205.db2.gz NVFPJFGSUZNKHW-UONOGXRCSA-N 1 0 280.412 2.635 10 30 CFEERO C#C[C@@H](CC)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000229896680 333311298 /nfs/dbraw/zinc/31/12/98/333311298.db2.gz NVFPJFGSUZNKHW-KGLIPLIRSA-N 1 0 280.412 2.635 10 30 CFEERO CC(C)[C@H]([NH3+])CNc1ccc(C#N)cc1Br ZINC000169226086 519817900 /nfs/dbraw/zinc/81/79/00/519817900.db2.gz ZRDJRUWKFRVRBB-LLVKDONJSA-N 1 0 282.185 2.716 10 30 CFEERO CC[NH2+]C(C)(C)C(=O)Nc1sc(C)c(C)c1C#N ZINC000061298879 519908227 /nfs/dbraw/zinc/90/82/27/519908227.db2.gz NBXMFTFSCQXCNN-UHFFFAOYSA-N 1 0 265.382 2.563 10 30 CFEERO CCCCC[N@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049617973 520152648 /nfs/dbraw/zinc/15/26/48/520152648.db2.gz QBOJGKIPKHNMIH-UHFFFAOYSA-N 1 0 263.356 2.792 10 30 CFEERO C#CC[C@@H](Cc1cccc(Br)c1)[NH2+]C ZINC000051074974 518338923 /nfs/dbraw/zinc/33/89/23/518338923.db2.gz IONDWGZOOJEWCY-LBPRGKRZSA-N 1 0 252.155 2.603 10 30 CFEERO C=C(C)CN(CC)Cc1csc(C[NH2+]C2CC2)n1 ZINC000052423155 518599955 /nfs/dbraw/zinc/59/99/55/518599955.db2.gz SIDHLZUVCIYTMQ-UHFFFAOYSA-N 1 0 265.426 2.793 10 30 CFEERO CC(C)C[C@H](C[NH+](C)C)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000049558161 519341844 /nfs/dbraw/zinc/34/18/44/519341844.db2.gz SJYSHUZALPMBHV-CYBMUJFWSA-N 1 0 290.367 2.855 10 30 CFEERO CC(C)C[C@H](C[NH3+])Nc1c(F)cc(C#N)cc1F ZINC000133685029 519347552 /nfs/dbraw/zinc/34/75/52/519347552.db2.gz ITADNYZCKJJKAI-SNVBAGLBSA-N 1 0 253.296 2.622 10 30 CFEERO CC(C)C[N@H+](C)Cc1ccc(F)cc1C#CCCO ZINC000049617778 519709061 /nfs/dbraw/zinc/70/90/61/519709061.db2.gz BSXOYOKSZBQAMC-UHFFFAOYSA-N 1 0 263.356 2.647 10 30 CFEERO CC(C)[NH2+]C[C@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000069402126 519725355 /nfs/dbraw/zinc/72/53/55/519725355.db2.gz ZPUYYVNSRFBIRW-CQSZACIVSA-N 1 0 289.398 2.907 10 30 CFEERO CC(C)N[C@@H](C#N)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000062435324 519733526 /nfs/dbraw/zinc/73/35/26/519733526.db2.gz POYQPOMULFBNRS-ARFHVFGLSA-N 1 0 263.429 2.779 10 30 CFEERO CC(C)C[C@@H](C)OCCOc1ccc(C#CC[NH3+])cc1 ZINC000049610803 519774044 /nfs/dbraw/zinc/77/40/44/519774044.db2.gz YRDXUHTXYAKLBV-OAHLLOKOSA-N 1 0 275.392 2.827 10 30 CFEERO CC(C)[C@H](C)[N@H+](C)Cc1ccc(F)c(C#CCO)c1 ZINC000049618602 519811805 /nfs/dbraw/zinc/81/18/05/519811805.db2.gz NSFPOHHQPMSKEE-ZDUSSCGKSA-N 1 0 263.356 2.646 10 30 CFEERO CCCCCOCCOc1ccc(C#CC[NH3+])cc1 ZINC000049611066 520245391 /nfs/dbraw/zinc/24/53/91/520245391.db2.gz RZENRMMWMDOHLE-UHFFFAOYSA-N 1 0 261.365 2.582 10 30 CFEERO CCCCC[C@H](C)NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000049105958 520306929 /nfs/dbraw/zinc/30/69/29/520306929.db2.gz VEWCSYWIXLNPJE-ZDUSSCGKSA-N 1 0 290.382 2.835 10 30 CFEERO CCCC[N@H+](CC)[C@@H](C/C(N)=N/O)c1ccccc1 ZINC000055020799 520481775 /nfs/dbraw/zinc/48/17/75/520481775.db2.gz JCPZTHOLAFOBGC-AWEZNQCLSA-N 1 0 263.385 2.986 10 30 CFEERO CCC[C@@H](C)C(=O)N[C@@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587104 520613157 /nfs/dbraw/zinc/61/31/57/520613157.db2.gz TULQGULYFKPFAK-KGLIPLIRSA-N 1 0 272.392 2.610 10 30 CFEERO CCC[N@H+](Cc1ccc(C#CCO)cc1F)C(C)C ZINC000049617657 521681876 /nfs/dbraw/zinc/68/18/76/521681876.db2.gz GSTSDJWCEUADDS-UHFFFAOYSA-N 1 0 263.356 2.790 10 30 CFEERO C[NH2+]C[C@@H]1CCCCN1[C@@H](CC#N)c1ccccc1 ZINC000063169311 522040245 /nfs/dbraw/zinc/04/02/45/522040245.db2.gz ZBMVPAWLKGVMRA-HOTGVXAUSA-N 1 0 257.381 2.715 10 30 CFEERO C[NH2+]C[C@@H]1CCCN1c1ccc(C#N)cc1Br ZINC000214272751 522051970 /nfs/dbraw/zinc/05/19/70/522051970.db2.gz PXLBKRRUHJAUHS-NSHDSACASA-N 1 0 294.196 2.509 10 30 CFEERO COc1cc(C[NH2+]C(C)(C)C)ccc1O[C@@H](C)C#N ZINC000062731836 522440656 /nfs/dbraw/zinc/44/06/56/522440656.db2.gz AFXNCXOSUHODGE-NSHDSACASA-N 1 0 262.353 2.874 10 30 CFEERO CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#CCO)C1 ZINC000049613079 523090737 /nfs/dbraw/zinc/09/07/37/523090737.db2.gz AKHCWYSJSWEXHQ-AWEZNQCLSA-N 1 0 275.367 2.792 10 30 CFEERO CC[C@H]1CCC[N@@H+]1Cc1ccc(C#CCO)cc1F ZINC000049615152 523110347 /nfs/dbraw/zinc/11/03/47/523110347.db2.gz UWRXYWYNWNXKPU-HNNXBMFYSA-N 1 0 261.340 2.544 10 30 CFEERO CN(Cc1ccc(C#CC[NH3+])cc1)Cc1ccccc1F ZINC000049609730 523203998 /nfs/dbraw/zinc/20/39/98/523203998.db2.gz FNHMLFXCJZABRK-UHFFFAOYSA-N 1 0 282.362 2.768 10 30 CFEERO C[N@H+](Cc1ccc(C#CCCO)cc1)C1CCCC1 ZINC000049617527 523204991 /nfs/dbraw/zinc/20/49/91/523204991.db2.gz JIPXDMDIEBMUAL-UHFFFAOYSA-N 1 0 257.377 2.795 10 30 CFEERO CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000049124788 523220610 /nfs/dbraw/zinc/22/06/10/523220610.db2.gz NUNVPXHSMMLIFF-TZMCWYRMSA-N 1 0 290.432 2.757 10 30 CFEERO CC[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C#CC[NH3+] ZINC000049124759 523222294 /nfs/dbraw/zinc/22/22/94/523222294.db2.gz CAVDVQKHPMCLOH-RHSMWYFYSA-N 1 0 284.403 2.695 10 30 CFEERO C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1C#CCO ZINC000049615082 523249490 /nfs/dbraw/zinc/24/94/90/523249490.db2.gz DWCWPCCCIDGJHJ-UHFFFAOYSA-N 1 0 283.346 2.802 10 30 CFEERO CC[C@@H]1CCC[N@@H+]1Cc1cc(C#CCCO)ccc1OC ZINC000049615115 523269860 /nfs/dbraw/zinc/26/98/60/523269860.db2.gz VASQQMFFCDFHKR-QGZVFWFLSA-N 1 0 287.403 2.804 10 30 CFEERO CN(Cc1cccc(C#CC[NH3+])c1)c1ccccc1 ZINC000049608424 523290677 /nfs/dbraw/zinc/29/06/77/523290677.db2.gz OITQTBAAHGOULG-UHFFFAOYSA-N 1 0 250.345 2.633 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)c(C#N)c1 ZINC000246107995 523318889 /nfs/dbraw/zinc/31/88/89/523318889.db2.gz PJKNCXCIVAZSJK-HOTGVXAUSA-N 1 0 287.382 2.756 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(OC)c(C#N)c1 ZINC000246132625 523318953 /nfs/dbraw/zinc/31/89/53/523318953.db2.gz RMUZRVRLQHTIHR-IRXDYDNUSA-N 1 0 299.418 2.625 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1C#N ZINC000245446113 523321601 /nfs/dbraw/zinc/32/16/01/523321601.db2.gz ZNCMDIJQCNHHMI-IRXDYDNUSA-N 1 0 269.392 2.617 10 30 CFEERO CN(Cc1ccccc1C#CC[NH3+])c1ccccc1 ZINC000049608418 523358761 /nfs/dbraw/zinc/35/87/61/523358761.db2.gz VUDNAAHIMXFESP-UHFFFAOYSA-N 1 0 250.345 2.633 10 30 CFEERO CC[C@H](C)[N@H+](CC)Cc1cc(C#CCO)ccc1OC ZINC000049617600 523934162 /nfs/dbraw/zinc/93/41/62/523934162.db2.gz YFGMYJYYUIUDRP-AWEZNQCLSA-N 1 0 275.392 2.659 10 30 CFEERO C[C@H]1CCC[N@H+](Cc2ccc(C#CCCO)cc2F)C1 ZINC000049616022 524093485 /nfs/dbraw/zinc/09/34/85/524093485.db2.gz VWIRENJCNFUUGH-AWEZNQCLSA-N 1 0 275.367 2.792 10 30 CFEERO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#CCCO ZINC000049615694 524114400 /nfs/dbraw/zinc/11/44/00/524114400.db2.gz JCWYNNRBISAZJU-OAHLLOKOSA-N 1 0 257.377 2.795 10 30 CFEERO C[C@H]1CCC[N@@H+]1Cc1ccc(C#CCCO)cc1F ZINC000049615210 524119189 /nfs/dbraw/zinc/11/91/89/524119189.db2.gz ZOBZPJNMBOYXFP-ZDUSSCGKSA-N 1 0 261.340 2.544 10 30 CFEERO COc1ccc(CSCC(C)C)cc1C#CC[NH3+] ZINC000049611458 524123751 /nfs/dbraw/zinc/12/37/51/524123751.db2.gz XNZGVBHLAVINKS-UHFFFAOYSA-N 1 0 263.406 2.895 10 30 CFEERO Cc1cc(C)c(C#N)c(N[C@H](C[NH+](C)C)C(C)C)n1 ZINC000049218604 524216895 /nfs/dbraw/zinc/21/68/95/524216895.db2.gz HVNLMWVOFMHBCK-CQSZACIVSA-N 1 0 260.385 2.568 10 30 CFEERO Cc1cccc(C[N@@H+](C)Cc2cccc(C#CCO)c2)c1 ZINC000049615094 524376986 /nfs/dbraw/zinc/37/69/86/524376986.db2.gz ZFVMBZSQXNFPDR-UHFFFAOYSA-N 1 0 279.383 2.971 10 30 CFEERO C[C@@H](C[NH3+])CNc1ccc(C(F)(F)F)cc1C#N ZINC000310963286 524583737 /nfs/dbraw/zinc/58/37/37/524583737.db2.gz OGTJFQGYNGZPRI-QMMMGPOBSA-N 1 0 257.259 2.584 10 30 CFEERO Cc1cccc(NC[C@H]2CCN(c3ccc(C#N)cn3)C2)[nH+]1 ZINC000195513668 524683517 /nfs/dbraw/zinc/68/35/17/524683517.db2.gz GJLGEEDTRPELCI-OAHLLOKOSA-N 1 0 293.374 2.595 10 30 CFEERO C[C@@H](Cc1ccsc1)[NH2+]Cc1cccnc1C#N ZINC000061658231 524939703 /nfs/dbraw/zinc/93/97/03/524939703.db2.gz RHNYMQUHZMBZLY-NSHDSACASA-N 1 0 257.362 2.736 10 30 CFEERO C[C@@H]([NH3+])[C@H]1CCCCN1[C@@H](C)c1ccc(C#N)cc1 ZINC000063191224 525019723 /nfs/dbraw/zinc/01/97/23/525019723.db2.gz FHUJSSJUJWNNDY-DVOMOZLQSA-N 1 0 257.381 2.821 10 30 CFEERO C[C@H](NC(=O)c1ccccc1C#CC[NH3+])C1CCCCC1 ZINC000052344707 525236418 /nfs/dbraw/zinc/23/64/18/525236418.db2.gz JTAKWQQFXODNPT-AWEZNQCLSA-N 1 0 284.403 2.695 10 30 CFEERO C[C@@H](NC(=O)c1ccc(C#CC[NH3+])s1)C1CCCCC1 ZINC000052344712 525321960 /nfs/dbraw/zinc/32/19/60/525321960.db2.gz GSQIACTYBNQNMY-GFCCVEGCSA-N 1 0 290.432 2.757 10 30 CFEERO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@H]1CCCO1 ZINC000162618211 525518706 /nfs/dbraw/zinc/51/87/06/525518706.db2.gz CBLXZJNDKUITAJ-QMTHXVAHSA-N 1 0 264.756 2.869 10 30 CFEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1cccc(Br)c1C#N ZINC000169111624 525553380 /nfs/dbraw/zinc/55/33/80/525553380.db2.gz DXCLYICNDCDOTR-JOYOIKCWSA-N 1 0 294.196 2.873 10 30 CFEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C#CCO)cc1F ZINC000050566730 525641770 /nfs/dbraw/zinc/64/17/70/525641770.db2.gz VIDGDKFYYFFVDU-UONOGXRCSA-N 1 0 275.367 2.790 10 30 CFEERO Cc1c(C)n([C@H](CC(C)C)C[NH+](C)C)c(N)c1C#N ZINC000049559796 525688110 /nfs/dbraw/zinc/68/81/10/525688110.db2.gz PWBJVNOHLYQLLH-CYBMUJFWSA-N 1 0 262.401 2.708 10 30 CFEERO Cc1ccsc1C(=O)N[C@@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586777 525826015 /nfs/dbraw/zinc/82/60/15/525826015.db2.gz SUGOUHKQAQXWKH-ZDUSSCGKSA-N 1 0 298.411 2.858 10 30 CFEERO Cc1ccc(C#N)cc1-n1c(N)[nH+]c2cc(F)ccc21 ZINC000050430614 525995608 /nfs/dbraw/zinc/99/56/08/525995608.db2.gz FLTJDPGPODULSW-UHFFFAOYSA-N 1 0 266.279 2.927 10 30 CFEERO Cc1ccc(C(=O)N(C)Cc2cccc(C#CC[NH3+])c2)s1 ZINC000049586951 526060945 /nfs/dbraw/zinc/06/09/45/526060945.db2.gz WHVRIEAZVBFGJR-UHFFFAOYSA-N 1 0 298.411 2.639 10 30 CFEERO C[C@H](C1CC1)[N@H+](C)Cc1ccc(F)cc1C#CCCO ZINC000049618531 526204286 /nfs/dbraw/zinc/20/42/86/526204286.db2.gz NCDZZKHHKKWDKP-CYBMUJFWSA-N 1 0 275.367 2.790 10 30 CFEERO N#CCc1ccc(N2[C@@H]3CCC[C@H]2CC([NH3+])C3)cc1 ZINC000054602186 526481902 /nfs/dbraw/zinc/48/19/02/526481902.db2.gz RMZVQUHYOFKZSN-VHRNVKJDSA-N 1 0 255.365 2.601 10 30 CFEERO N#Cc1c(C[N@H+]2CCC[C@H]2CCCO)cn2ccccc12 ZINC000052762974 526518587 /nfs/dbraw/zinc/51/85/87/526518587.db2.gz LXXJACYOIIKWSG-HNNXBMFYSA-N 1 0 283.375 2.548 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1OC[C@H]1CC[NH2+]C1 ZINC000051889232 526547662 /nfs/dbraw/zinc/54/76/62/526547662.db2.gz WJSPXVNJFOJFPS-VIFPVBQESA-N 1 0 270.254 2.565 10 30 CFEERO N#Cc1ccc(F)c(COCC[C@H]2CCC[NH2+]C2)c1 ZINC000051917874 526638564 /nfs/dbraw/zinc/63/85/64/526638564.db2.gz XKGHZNLIXVWPSV-GFCCVEGCSA-N 1 0 262.328 2.604 10 30 CFEERO N#Cc1cccnc1N[C@H](CCC[NH3+])c1ccccc1 ZINC000336834274 526755291 /nfs/dbraw/zinc/75/52/91/526755291.db2.gz HREIRGVQMZVNSX-OAHLLOKOSA-N 1 0 266.348 2.845 10 30 CFEERO [NH3+]CC#Cc1cc(CSc2ccccn2)ccc1F ZINC000049611386 527146402 /nfs/dbraw/zinc/14/64/02/527146402.db2.gz LEBQQUSNQMCYDB-UHFFFAOYSA-N 1 0 272.348 2.823 10 30 CFEERO [NH3+]CC#Cc1cccc(OCCOC2CCCCC2)c1 ZINC000049610322 527153114 /nfs/dbraw/zinc/15/31/14/527153114.db2.gz GIVCNEXDXGIXJG-UHFFFAOYSA-N 1 0 273.376 2.725 10 30 CFEERO [NH3+]CC#Cc1cccc(OCCOc2cccc(F)c2)c1 ZINC000049610564 527153156 /nfs/dbraw/zinc/15/31/56/527153156.db2.gz OCCFUTCAVFJZGC-UHFFFAOYSA-N 1 0 285.318 2.594 10 30 CFEERO [NH3+]CC#Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC000050886308 527153188 /nfs/dbraw/zinc/15/31/88/527153188.db2.gz LIXPRQUGTSCVFB-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO OCC#Cc1ccccc1C[N@@H+]1CCc2ccccc2C1 ZINC000049616472 527521033 /nfs/dbraw/zinc/52/10/33/527521033.db2.gz SIOPHOYBXSJJIJ-UHFFFAOYSA-N 1 0 277.367 2.589 10 30 CFEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000042335614 620659992 /nfs/dbraw/zinc/65/99/92/620659992.db2.gz OYISAYSYPAEDKQ-KBPBESRZSA-N 1 0 272.392 2.599 10 30 CFEERO C[C@H](C#N)OCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000306055081 617791133 /nfs/dbraw/zinc/79/11/33/617791133.db2.gz UOCBRFDJYMRGPV-MNOVXSKESA-N 1 0 252.745 2.919 10 30 CFEERO C#CCOc1ccc(C[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000247362895 618187134 /nfs/dbraw/zinc/18/71/34/618187134.db2.gz ORCXIMALCZZFQZ-MAUKXSAKSA-N 1 0 286.419 2.517 10 30 CFEERO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]2CCCO)cc1 ZINC000052759646 618195596 /nfs/dbraw/zinc/19/55/96/618195596.db2.gz MUYIOICPVRHGQP-INIZCTEOSA-N 1 0 288.391 2.564 10 30 CFEERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000309862773 618249521 /nfs/dbraw/zinc/24/95/21/618249521.db2.gz OBDQMBHJZPTKBQ-RYUDHWBXSA-N 1 0 281.400 2.572 10 30 CFEERO C=C(C)CNC(=[NH2+])NCC1CCC(C(F)(F)F)CC1 ZINC000081689641 618264025 /nfs/dbraw/zinc/26/40/25/618264025.db2.gz KOVZJGZPZRJPPV-UHFFFAOYSA-N 1 0 277.334 2.836 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1nc(Cl)c(C#N)s1 ZINC000312083890 618875453 /nfs/dbraw/zinc/87/54/53/618875453.db2.gz VJPBJLNIZBOGQS-ZJUUUORDSA-N 1 0 296.827 2.731 10 30 CFEERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000261585391 619172241 /nfs/dbraw/zinc/17/22/41/619172241.db2.gz IKEGZOSJICJUOZ-PELKAZGASA-N 1 0 269.270 2.503 10 30 CFEERO CCc1nnc(NCC2([NH3+])CCCCC2)c(C#N)c1CC ZINC000261634377 619182311 /nfs/dbraw/zinc/18/23/11/619182311.db2.gz HYIPWBMEVFJWJL-UHFFFAOYSA-N 1 0 287.411 2.547 10 30 CFEERO C#CCC[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000086506854 620395923 /nfs/dbraw/zinc/39/59/23/620395923.db2.gz RFQLXNGJYMCEEV-UHFFFAOYSA-N 1 0 265.378 2.539 10 30 CFEERO CCN(c1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000071314328 625495598 /nfs/dbraw/zinc/49/55/98/625495598.db2.gz GKSDCVKMDQGESI-GFCCVEGCSA-N 1 0 283.297 2.765 10 30 CFEERO N#Cc1cc2ccccc2nc1NC[C@H]1CCC[NH2+]C1 ZINC000071386048 625511061 /nfs/dbraw/zinc/51/10/61/625511061.db2.gz FTRVZIQIYAOTBF-LBPRGKRZSA-N 1 0 266.348 2.518 10 30 CFEERO N#Cc1cc2ccccc2nc1NCC[C@H]1CC[NH2+]C1 ZINC000071386152 625511148 /nfs/dbraw/zinc/51/11/48/625511148.db2.gz KHNOAPMPRMDATO-GFCCVEGCSA-N 1 0 266.348 2.518 10 30 CFEERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000232501415 623419311 /nfs/dbraw/zinc/41/93/11/623419311.db2.gz FYXICAQKHTWKLD-MGPQQGTHSA-N 1 0 293.411 2.668 10 30 CFEERO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)cc1 ZINC000153753460 624132388 /nfs/dbraw/zinc/13/23/88/624132388.db2.gz HZSREJRREUIDII-YXJHDRRASA-N 1 0 287.403 2.900 10 30 CFEERO C#CCC[NH2+]Cc1cc(F)ccc1Br ZINC000082496942 625737271 /nfs/dbraw/zinc/73/72/71/625737271.db2.gz ABXQKNIUQOPRBY-UHFFFAOYSA-N 1 0 256.118 2.701 10 30 CFEERO C#CCOc1ccccc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000093585785 626324068 /nfs/dbraw/zinc/32/40/68/626324068.db2.gz BBOIJXHRNXEYQL-IEBWSBKVSA-N 1 0 299.414 2.826 10 30 CFEERO C[C@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C[C@H]1C[NH3+] ZINC000253192743 651040029 /nfs/dbraw/zinc/04/00/29/651040029.db2.gz NRTFGAWEIPBEGY-CMPLNLGQSA-N 1 0 297.324 2.998 10 30 CFEERO C=CC[N+](CC)(CC)c1ccc(OC(=O)NC)cc1 ZINC000001998372 717091534 /nfs/dbraw/zinc/09/15/34/717091534.db2.gz UDECEQDBZXJSGC-UHFFFAOYSA-O 1 0 263.361 2.938 10 30 CFEERO Cc1ccccc1CN(C)C(=O)C[N+](C)(C)C1CCCC1 ZINC000073713025 717134806 /nfs/dbraw/zinc/13/48/06/717134806.db2.gz VZBBUIMRUMOKAH-UHFFFAOYSA-N 1 0 289.443 2.972 10 30 CFEERO N#Cc1cc(NCC23CC(C2)C[NH2+]3)ccc1C(F)(F)F ZINC000596026106 349777750 /nfs/dbraw/zinc/77/77/50/349777750.db2.gz CCCZEEITYPWASI-UHFFFAOYSA-N 1 0 281.281 2.741 10 30 CFEERO CC(C)[C@H]([NH3+])CCNc1cc(Cl)ccc1C#N ZINC000596030145 349778584 /nfs/dbraw/zinc/77/85/84/349778584.db2.gz LHMXISONEMRSGJ-GFCCVEGCSA-N 1 0 251.761 2.997 10 30 CFEERO C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCS1 ZINC000127295002 187294767 /nfs/dbraw/zinc/29/47/67/187294767.db2.gz NDURQNILQNENCK-ZDUSSCGKSA-N 1 0 276.405 2.764 10 30 CFEERO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000037163704 346327881 /nfs/dbraw/zinc/32/78/81/346327881.db2.gz UNKSHHULRLBENI-LSDHHAIUSA-N 1 0 261.365 2.645 10 30 CFEERO C[C@@H]([NH3+])[C@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000070175014 136708523 /nfs/dbraw/zinc/70/85/23/136708523.db2.gz BSULUNYTYHRGDW-OLZOCXBDSA-N 1 0 280.375 2.670 10 30 CFEERO C#CCOC[C@H](O)C[N@H+](Cc1ccc(C)s1)[C@H](C)CC ZINC000105750472 347730216 /nfs/dbraw/zinc/73/02/16/347730216.db2.gz BJYDSNDJZITGCK-UKRRQHHQSA-N 1 0 295.448 2.668 10 30 CFEERO C#C[C@@H]([NH2+]C)c1ccc(Cl)c(Br)c1 ZINC000126813713 347837011 /nfs/dbraw/zinc/83/70/11/347837011.db2.gz PDVGJADMHUEBJV-SNVBAGLBSA-N 1 0 258.546 2.996 10 30 CFEERO C#C[C@H]([NH2+]C)c1ccc(Cl)c(Br)c1 ZINC000126813472 347837188 /nfs/dbraw/zinc/83/71/88/347837188.db2.gz PDVGJADMHUEBJV-JTQLQIEISA-N 1 0 258.546 2.996 10 30 CFEERO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000165498129 348039828 /nfs/dbraw/zinc/03/98/28/348039828.db2.gz VOKDTMDKSZUDBW-QZTJIDSGSA-N 1 0 284.403 2.994 10 30 CFEERO Cc1cc(C#N)ccc1CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000165495670 348040298 /nfs/dbraw/zinc/04/02/98/348040298.db2.gz UFPKNHCJDZHBAI-YJBOKZPZSA-N 1 0 283.419 2.925 10 30 CFEERO C#C[C@H]([NH2+]CC)c1ccc(F)c(Br)c1 ZINC000169242555 348050005 /nfs/dbraw/zinc/05/00/05/348050005.db2.gz AKDVZKQCUURXJL-NSHDSACASA-N 1 0 256.118 2.872 10 30 CFEERO CC[C@H]([NH3+])C#Cc1cc(Br)ccc1F ZINC000229905283 348203558 /nfs/dbraw/zinc/20/35/58/348203558.db2.gz REABLQGHXBDTFX-JTQLQIEISA-N 1 0 256.118 2.677 10 30 CFEERO CCC[C@@H]([NH3+])C#Cc1sccc1Br ZINC000229906452 348203789 /nfs/dbraw/zinc/20/37/89/348203789.db2.gz XGTWHYFXQUXXBA-MRVPVSSYSA-N 1 0 258.184 2.990 10 30 CFEERO C#C[C@H]([NH3+])c1cc(Cl)ccc1I ZINC000236290381 348232546 /nfs/dbraw/zinc/23/25/46/348232546.db2.gz ZVLIBODMSWSCDV-VIFPVBQESA-N 1 0 291.519 2.578 10 30 CFEERO C=CC[N@H+]1CC[C@H]2[C@@H](C1)C2(Br)Br ZINC000307168204 348396761 /nfs/dbraw/zinc/39/67/61/348396761.db2.gz UJRRKTWKEIWUIJ-JGVFFNPUSA-N 1 0 295.018 2.610 10 30 CFEERO CN(CC[NH2+][C@H]1CCCC[C@@H]1C#N)Cc1ccccc1 ZINC000386725817 348536069 /nfs/dbraw/zinc/53/60/69/348536069.db2.gz TZVFFASMWNGNKY-SJORKVTESA-N 1 0 271.408 2.790 10 30 CFEERO C[NH+](C)CC/N=C1/c2ccccc2COc2ccccc21 ZINC000584614597 348690801 /nfs/dbraw/zinc/69/08/01/348690801.db2.gz RVACZPAXUFAZHY-HNENSFHCSA-N 1 0 280.371 2.978 10 30 CFEERO C[NH+](C)CCC/N=C/c1cccc(Br)c1O ZINC000584624522 348693484 /nfs/dbraw/zinc/69/34/84/348693484.db2.gz XUZYFKIKSIYOBX-NTEUORMPSA-N 1 0 285.185 2.525 10 30 CFEERO CC1([NH3+])CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000591435800 349021519 /nfs/dbraw/zinc/02/15/19/349021519.db2.gz XHVVWWNPQGBATH-UHFFFAOYSA-N 1 0 283.297 2.895 10 30 CFEERO CC1(CNc2c(C#N)cnc3ccccc32)CC[NH2+]CC1 ZINC000129432370 187431185 /nfs/dbraw/zinc/43/11/85/187431185.db2.gz SOHRBKCGMHZSKW-UHFFFAOYSA-N 1 0 280.375 2.908 10 30 CFEERO CCCCCCCCCCCC(=O)N(CC[NH3+])CCO ZINC000104799371 186024988 /nfs/dbraw/zinc/02/49/88/186024988.db2.gz KOUNBXVVHJVUQL-UHFFFAOYSA-N 1 0 286.460 2.687 10 30 CFEERO Cc1nc(N2CCCCC[C@@H]([NH3+])C2)c(Cl)cc1C#N ZINC000600958833 350637394 /nfs/dbraw/zinc/63/73/94/350637394.db2.gz MOSYXNZIGNWVGQ-GFCCVEGCSA-N 1 0 278.787 2.623 10 30 CFEERO N#Cc1cc(F)ccc1NCCC[NH2+]Cc1cccnc1 ZINC000111027534 186346011 /nfs/dbraw/zinc/34/60/11/186346011.db2.gz CEZZMRFLJIFWTJ-UHFFFAOYSA-N 1 0 284.338 2.684 10 30 CFEERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000122876513 187056971 /nfs/dbraw/zinc/05/69/71/187056971.db2.gz SWXQGMPXOLYWIH-CYBMUJFWSA-N 1 0 284.363 2.747 10 30 CFEERO N#Cc1ccc([C@@H]2C[NH2+]CCN2Cc2ccccc2)cc1 ZINC000616635782 352393818 /nfs/dbraw/zinc/39/38/18/352393818.db2.gz MEZQNIKOWAIUNX-SFHVURJKSA-N 1 0 277.371 2.705 10 30 CFEERO N#Cc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616636648 352394182 /nfs/dbraw/zinc/39/41/82/352394182.db2.gz WQEBIIZKWVRHOE-SFHVURJKSA-N 1 0 277.371 2.705 10 30 CFEERO C[C@@H]1CCC[C@@](CNc2ccc(C#N)nc2)([NH+](C)C)C1 ZINC000149373521 187921466 /nfs/dbraw/zinc/92/14/66/187921466.db2.gz CTKBGTDXQQZYTD-CZUORRHYSA-N 1 0 272.396 2.876 10 30 CFEERO C#CCSCC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000152928145 188053208 /nfs/dbraw/zinc/05/32/08/188053208.db2.gz WMQMJYRVMRGKJV-UHFFFAOYSA-N 1 0 284.768 2.704 10 30 CFEERO N#Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1C(F)(F)F ZINC000261760382 283107408 /nfs/dbraw/zinc/10/74/08/283107408.db2.gz UWWBZLABNAGJNI-CMPLNLGQSA-N 1 0 295.308 2.623 10 30 CFEERO N#Cc1nnc2ccccc2c1NCC1([NH3+])CCCCC1 ZINC000261672094 283259220 /nfs/dbraw/zinc/25/92/20/283259220.db2.gz LLWCUDSRACOQFH-UHFFFAOYSA-N 1 0 281.363 2.575 10 30 CFEERO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000216227193 540988039 /nfs/dbraw/zinc/98/80/39/540988039.db2.gz FMSXZXNBSLMPFJ-UWVGGRQHSA-N 1 0 283.297 2.751 10 30 CFEERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000012669069 371980368 /nfs/dbraw/zinc/98/03/68/371980368.db2.gz NVNIZEAWLZNZML-VXGBXAGGSA-N 1 0 259.353 2.519 10 30 CFEERO N#Cc1ccc(OCC2CC[NH+](CCF)CC2)cc1 ZINC000013605791 372036076 /nfs/dbraw/zinc/03/60/76/372036076.db2.gz WCVQBSQHLZCNCS-UHFFFAOYSA-N 1 0 262.328 2.619 10 30 CFEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020316353 372237262 /nfs/dbraw/zinc/23/72/62/372237262.db2.gz ACQYLHWNEUYUMU-ZAOZSLGCSA-N 1 0 290.451 2.872 10 30 CFEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020316348 372237885 /nfs/dbraw/zinc/23/78/85/372237885.db2.gz ACQYLHWNEUYUMU-LSZNHBMWSA-N 1 0 290.451 2.872 10 30 CFEERO C#CCOc1ccc2ccccc2c1C[NH2+]CCOC ZINC000045945874 373039030 /nfs/dbraw/zinc/03/90/30/373039030.db2.gz QGGWHDQACMMMJU-UHFFFAOYSA-N 1 0 269.344 2.588 10 30 CFEERO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000061891566 373736628 /nfs/dbraw/zinc/73/66/28/373736628.db2.gz DAVOCTOUZXQCEK-NWANDNLSSA-N 1 0 288.391 2.917 10 30 CFEERO COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000061892296 373739172 /nfs/dbraw/zinc/73/91/72/373739172.db2.gz LUSQMQDNJKFSIP-CFVMTHIKSA-N 1 0 258.365 2.908 10 30 CFEERO C=CCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067734210 373996298 /nfs/dbraw/zinc/99/62/98/373996298.db2.gz SQMGSBCWUDTMPB-MRXNPFEDSA-N 1 0 287.407 2.526 10 30 CFEERO C[C@H](Nc1cc(C#N)c2ccccc2n1)[C@H]1CCC[NH2+]C1 ZINC000068770916 374038976 /nfs/dbraw/zinc/03/89/76/374038976.db2.gz YKSRXWVUDHMQTR-STQMWFEESA-N 1 0 280.375 2.906 10 30 CFEERO C[C@H]([NH3+])[C@@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000070175011 374141469 /nfs/dbraw/zinc/14/14/69/374141469.db2.gz BSULUNYTYHRGDW-QWHCGFSZSA-N 1 0 280.375 2.670 10 30 CFEERO CC(C)[C@H]([NH3+])CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000070463604 374183930 /nfs/dbraw/zinc/18/39/30/374183930.db2.gz HIWJYFMHEGEEED-GFCCVEGCSA-N 1 0 271.286 2.972 10 30 CFEERO C=CCC[C@H](C[NH+]1CCSCC1)Oc1nccc(C)n1 ZINC000072431509 374253561 /nfs/dbraw/zinc/25/35/61/374253561.db2.gz XDKMQNVJWUFNIP-CQSZACIVSA-N 1 0 293.436 2.547 10 30 CFEERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000078595284 374569009 /nfs/dbraw/zinc/56/90/09/374569009.db2.gz OGURPYWEHHSRDS-HUUCEWRRSA-N 1 0 287.407 2.956 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1 ZINC000083704521 374754586 /nfs/dbraw/zinc/75/45/86/374754586.db2.gz DGEKBMFWMWAILZ-RHSMWYFYSA-N 1 0 269.392 2.617 10 30 CFEERO N#Cc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000096474807 375488316 /nfs/dbraw/zinc/48/83/16/375488316.db2.gz WZIJNIJBBZBQEF-CYBMUJFWSA-N 1 0 295.308 2.861 10 30 CFEERO N#C[C@H]1CCC[C@@H]1NCc1cncc(Br)c1 ZINC000124976737 377105825 /nfs/dbraw/zinc/10/58/25/377105825.db2.gz OWWOFWSLRYEFJD-PWSUYJOCSA-N 1 0 280.169 2.626 10 30 CFEERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1ccc(C#N)cc1 ZINC000130758007 377605304 /nfs/dbraw/zinc/60/53/04/377605304.db2.gz FYJRBTPNLZTOIQ-QGZVFWFLSA-N 1 0 271.408 2.768 10 30 CFEERO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CC(C)(C)CCC#N ZINC000131552202 377727559 /nfs/dbraw/zinc/72/75/59/377727559.db2.gz SBVXPUVEAFBXTH-LBPRGKRZSA-N 1 0 268.401 2.978 10 30 CFEERO N#Cc1cc(Cl)ccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132515811 377850323 /nfs/dbraw/zinc/85/03/23/377850323.db2.gz MXGSQZRBLKZCQH-OLZOCXBDSA-N 1 0 261.756 2.542 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cn2ccccc2c1C#N ZINC000175353161 380050583 /nfs/dbraw/zinc/05/05/83/380050583.db2.gz UYVMYCYQRVWEMX-INIZCTEOSA-N 1 0 296.418 2.727 10 30 CFEERO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400446300 380862588 /nfs/dbraw/zinc/86/25/88/380862588.db2.gz PPTUWAFNFOVDGF-NEPJUHHUSA-N 1 0 288.819 2.974 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)s1 ZINC000182076112 380986086 /nfs/dbraw/zinc/98/60/86/380986086.db2.gz OPCJFBFSTKJJEX-CHWSQXEVSA-N 1 0 275.421 2.678 10 30 CFEERO C#C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000301017165 382066598 /nfs/dbraw/zinc/06/65/98/382066598.db2.gz ZVXOLCVWEVASLL-GJZGRUSLSA-N 1 0 294.439 2.881 10 30 CFEERO Cc1cc(N[C@@H]2CCC[C@H]2CCO)c(C#N)c(C)n1 ZINC000302413500 382247841 /nfs/dbraw/zinc/24/78/41/382247841.db2.gz HIZZOWCKSVZIFD-GXTWGEPZSA-N 1 0 259.353 2.533 10 30 CFEERO N#Cc1cccc(OCCC[N@@H+]2C[C@@H]3CCC[C@H]32)c1 ZINC000357623868 382256005 /nfs/dbraw/zinc/25/60/05/382256005.db2.gz UIKQNKIHIOJRQH-GOEBONIOSA-N 1 0 256.349 2.811 10 30 CFEERO C[C@H]([NH3+])[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000381701921 382523489 /nfs/dbraw/zinc/52/34/89/382523489.db2.gz HDZKPCNTQSFHJR-YUMQZZPRSA-N 1 0 257.259 2.725 10 30 CFEERO C[C@@H]([NH3+])C[C@@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000320693048 382538715 /nfs/dbraw/zinc/53/87/15/382538715.db2.gz QQDQEXJSBVPVTC-GHMZBOCLSA-N 1 0 254.337 2.644 10 30 CFEERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(Br)cc1C#N ZINC000320828328 382538824 /nfs/dbraw/zinc/53/88/24/382538824.db2.gz JWDKTBLEQJGOGS-BDAKNGLRSA-N 1 0 282.185 2.858 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382478021 382530559 /nfs/dbraw/zinc/53/05/59/382530559.db2.gz KQUFUELLCMILNK-WPRPVWTQSA-N 1 0 284.285 2.511 10 30 CFEERO C=CCC[C@H](O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189914690 382645168 /nfs/dbraw/zinc/64/51/68/382645168.db2.gz VVDWXBRXRKDZFX-YOEHRIQHSA-N 1 0 285.391 2.850 10 30 CFEERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc(C(F)(F)F)cc1C#N ZINC000216234467 382782685 /nfs/dbraw/zinc/78/26/85/382782685.db2.gz CEWHAMWSMDJPOE-ZJUUUORDSA-N 1 0 283.297 2.751 10 30 CFEERO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000217346601 382785848 /nfs/dbraw/zinc/78/58/48/382785848.db2.gz LJDVXUJCMLZPNY-IAGOWNOFSA-N 1 0 286.375 2.580 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C#N)ccc1F ZINC000245435845 383000813 /nfs/dbraw/zinc/00/08/13/383000813.db2.gz QOYYTCGLUDTBRV-CVEARBPZSA-N 1 0 287.382 2.756 10 30 CFEERO C[C@H](C#N)Oc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000245737132 383029754 /nfs/dbraw/zinc/02/97/54/383029754.db2.gz LCFJGJFQJGKRPK-BFYDXBDKSA-N 1 0 299.418 2.646 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C#N)cc1C ZINC000245929003 383050126 /nfs/dbraw/zinc/05/01/26/383050126.db2.gz IPBBFFTXKRRQFP-HOTGVXAUSA-N 1 0 297.402 2.566 10 30 CFEERO CCCCCCC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246394756 383075236 /nfs/dbraw/zinc/07/52/36/383075236.db2.gz JBUGOARWJZWLOE-HOTGVXAUSA-N 1 0 268.445 2.609 10 30 CFEERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000246841447 383111028 /nfs/dbraw/zinc/11/10/28/383111028.db2.gz BOJUIMNOJQKNDI-JKIFEVAISA-N 1 0 271.408 2.938 10 30 CFEERO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000247417684 383171486 /nfs/dbraw/zinc/17/14/86/383171486.db2.gz MYFRKMXJNXGCNL-GJZGRUSLSA-N 1 0 277.412 2.501 10 30 CFEERO C[C@H](c1cccc(C#N)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249259992 383335738 /nfs/dbraw/zinc/33/57/38/383335738.db2.gz HLAGHGOMJMFCHQ-PBHICJAKSA-N 1 0 269.392 2.789 10 30 CFEERO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000249283375 383336473 /nfs/dbraw/zinc/33/64/73/383336473.db2.gz OHZIZLXOUIEXKR-XJKSGUPXSA-N 1 0 280.375 2.842 10 30 CFEERO N#Cc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1F ZINC000248824291 383293902 /nfs/dbraw/zinc/29/39/02/383293902.db2.gz GLVBWMNZWDQWSG-RDJZCZTQSA-N 1 0 288.366 2.824 10 30 CFEERO N#Cc1cccc(C[N@H+]2C[C@@H](CO)[C@@H](c3ccsc3)C2)c1 ZINC000249556945 383350935 /nfs/dbraw/zinc/35/09/35/383350935.db2.gz KDHNOJRDOAWOSY-DLBZAZTESA-N 1 0 298.411 2.828 10 30 CFEERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(C#N)cc1C(F)(F)F ZINC000261580757 383519427 /nfs/dbraw/zinc/51/94/27/383519427.db2.gz QEHJDPPUZYCBBR-SFYZADRCSA-N 1 0 257.259 2.725 10 30 CFEERO C[C@@H]([NH3+])C1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000094337440 184783389 /nfs/dbraw/zinc/78/33/89/184783389.db2.gz LZGYJVGRFWZIEJ-SECBINFHSA-N 1 0 298.312 2.536 10 30 CFEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000192058387 130360895 /nfs/dbraw/zinc/36/08/95/130360895.db2.gz OFPLHXXAMQACSY-SFHVURJKSA-N 1 0 279.387 2.708 10 30 CFEERO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccs1 ZINC000192870963 393635700 /nfs/dbraw/zinc/63/57/00/393635700.db2.gz ZGFFAJLYDWOLIK-VIFPVBQESA-N 1 0 291.401 2.971 10 30 CFEERO C=CCC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000089732601 134508085 /nfs/dbraw/zinc/50/80/85/134508085.db2.gz ILLLZTZJBSRWJM-JKSUJKDBSA-N 1 0 286.423 2.780 10 30 CFEERO C=CCCCN(C)c1ncc(Br)c(NC)n1 ZINC000132836232 394164674 /nfs/dbraw/zinc/16/46/74/394164674.db2.gz BWWRWVSBERNIRM-UHFFFAOYSA-N 1 0 285.189 2.683 10 30 CFEERO N#Cc1cc(N)ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000041021226 134875654 /nfs/dbraw/zinc/87/56/54/134875654.db2.gz WZUZBXNCJKSOKQ-UHFFFAOYSA-N 1 0 284.407 2.595 10 30 CFEERO C[C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000163972572 394369046 /nfs/dbraw/zinc/36/90/46/394369046.db2.gz GECVXGOXLXJOFL-PWSUYJOCSA-N 1 0 297.324 2.998 10 30 CFEERO CCn1cc(C2CC[NH+](CCCSCC#N)CC2)cn1 ZINC000173877091 394376962 /nfs/dbraw/zinc/37/69/62/394376962.db2.gz KZWSNMQBZXXBFD-UHFFFAOYSA-N 1 0 292.452 2.729 10 30 CFEERO CCC[NH+](CCC)CCc1cccc2c1CC(=O)ON2 ZINC000205483601 397616162 /nfs/dbraw/zinc/61/61/62/397616162.db2.gz VMSKDFDAVARYDT-UHFFFAOYSA-N 1 0 276.380 2.777 10 30 CFEERO CC#C[C@]1(O)CCC[C@@H](OCC[NH+](C(C)C)C(C)C)C1 ZINC000005158105 170071744 /nfs/dbraw/zinc/07/17/44/170071744.db2.gz RACBOBKMDDZSAZ-SJORKVTESA-N 1 0 281.440 2.819 10 30 CFEERO C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1 ZINC000006068069 170173559 /nfs/dbraw/zinc/17/35/59/170173559.db2.gz ZIYPLFGQPKLCIR-UHFFFAOYSA-O 1 0 281.763 2.598 10 30 CFEERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc(/C(N)=N/O)c1 ZINC000019511996 170820607 /nfs/dbraw/zinc/82/06/07/170820607.db2.gz CJKREFLWAQNLFH-VXGBXAGGSA-N 1 0 261.369 2.544 10 30 CFEERO C#CCN1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000037234868 173053583 /nfs/dbraw/zinc/05/35/83/173053583.db2.gz FHRZIXGVLJUNIL-ZDUSSCGKSA-N 1 0 260.356 2.574 10 30 CFEERO C=C(Cl)C[NH2+]C[C@H](c1cccc(OC)c1)N(C)C ZINC000037488958 173230999 /nfs/dbraw/zinc/23/09/99/173230999.db2.gz UTMUXZCXMUJZAL-CQSZACIVSA-N 1 0 268.788 2.640 10 30 CFEERO C[C@H](CNc1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000038029295 174019707 /nfs/dbraw/zinc/01/97/07/174019707.db2.gz PDBIHWGQZIIFRG-GFCCVEGCSA-N 1 0 261.344 2.984 10 30 CFEERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000038097547 174111171 /nfs/dbraw/zinc/11/11/71/174111171.db2.gz SODNCYPZDUXABT-IUODEOHRSA-N 1 0 270.332 2.844 10 30 CFEERO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(CC)C2)cc1 ZINC000040502478 174298696 /nfs/dbraw/zinc/29/86/96/174298696.db2.gz OEJWOANYIMIMEB-MRXNPFEDSA-N 1 0 274.408 2.825 10 30 CFEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCCN(CC)C1 ZINC000040502764 174299389 /nfs/dbraw/zinc/29/93/89/174299389.db2.gz MDUXJCTUIHZXQM-MRXNPFEDSA-N 1 0 274.408 2.825 10 30 CFEERO C[C@@H]1CC[N@H+](CCCC(=O)Nc2cccc(C#N)c2)C1 ZINC000040718188 174384883 /nfs/dbraw/zinc/38/48/83/174384883.db2.gz YRSQNMBCWYSNDV-CYBMUJFWSA-N 1 0 271.364 2.619 10 30 CFEERO Cc1sc(NC(=O)C2CCC([NH3+])CC2)c(C#N)c1C ZINC000040857183 174424155 /nfs/dbraw/zinc/42/41/55/174424155.db2.gz VNAPHMGCIBXRKE-UHFFFAOYSA-N 1 0 277.393 2.693 10 30 CFEERO [NH3+]CC#Cc1ccccc1CN(CC(F)(F)F)C1CC1 ZINC000042780072 174875782 /nfs/dbraw/zinc/87/57/82/174875782.db2.gz YXJTZUPVUDOWJY-UHFFFAOYSA-N 1 0 282.309 2.524 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(CC)CCC#N ZINC000042972904 174936822 /nfs/dbraw/zinc/93/68/22/174936822.db2.gz KLCOTAQQSHJFPB-HUUCEWRRSA-N 1 0 263.360 2.840 10 30 CFEERO CC[C@H]([NH3+])[C@@H](c1ccccc1F)N(C)C[C@@H](C)C#N ZINC000043045469 174956447 /nfs/dbraw/zinc/95/64/47/174956447.db2.gz DBFULNBBNQCLPB-TUKIKUTGSA-N 1 0 263.360 2.696 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1cccc(C#N)c1)c1ccccn1 ZINC000043342979 175015936 /nfs/dbraw/zinc/01/59/36/175015936.db2.gz OHWMKWXKMHKYQL-HOCLYGCPSA-N 1 0 267.332 2.811 10 30 CFEERO C[C@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)c1cccnc1 ZINC000043351248 175019546 /nfs/dbraw/zinc/01/95/46/175019546.db2.gz GQRNKORVIBXEBQ-ZUZCIYMTSA-N 1 0 271.295 2.560 10 30 CFEERO Cc1ccc([C@@H](Oc2ccccc2C#N)[C@H](C)[NH3+])o1 ZINC000043366281 175027010 /nfs/dbraw/zinc/02/70/10/175027010.db2.gz LPLBXSGRJZWDER-NHYWBVRUSA-N 1 0 256.305 2.927 10 30 CFEERO Cc1ccc([C@H](Oc2cccc(C#N)c2)[C@H](C)[NH3+])o1 ZINC000043366524 175027367 /nfs/dbraw/zinc/02/73/67/175027367.db2.gz BCZISSXVCLHESU-XHDPSFHLSA-N 1 0 256.305 2.927 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)C(F)(F)F ZINC000043383806 175031218 /nfs/dbraw/zinc/03/12/18/175031218.db2.gz ULBWTMRKBDCTGR-WDEREUQCSA-N 1 0 258.243 2.605 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)C(F)(F)F ZINC000043383804 175031245 /nfs/dbraw/zinc/03/12/45/175031245.db2.gz ULBWTMRKBDCTGR-MNOVXSKESA-N 1 0 258.243 2.605 10 30 CFEERO CC[NH2+][C@@H]1CC(C)(C)Oc2cc(OCC#N)ccc21 ZINC000043460422 175051063 /nfs/dbraw/zinc/05/10/63/175051063.db2.gz YWJIFZBOLFNCRD-CYBMUJFWSA-N 1 0 260.337 2.801 10 30 CFEERO CC[C@@H]([NH3+])Cc1cc(OC)ccc1O[C@@H](C#N)CC ZINC000043543527 175064342 /nfs/dbraw/zinc/06/43/42/175064342.db2.gz IHQVUSWHCLHIFP-CHWSQXEVSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@@H]([NH3+])Cc1ccc(OC)cc1O[C@@H](C#N)CC ZINC000043543665 175064412 /nfs/dbraw/zinc/06/44/12/175064412.db2.gz ZXCCQSGULCRKNJ-CHWSQXEVSA-N 1 0 262.353 2.656 10 30 CFEERO C=CCN(C(=O)[C@@H]1[NH2+]CCc2ccccc21)C1CCCC1 ZINC000043595415 175076231 /nfs/dbraw/zinc/07/62/31/175076231.db2.gz SJJKCWHIOFXJBG-QGZVFWFLSA-N 1 0 284.403 2.831 10 30 CFEERO CCC[C@H](C)[N@H+](C)Cc1sccc1C#CCO ZINC000043677901 175088930 /nfs/dbraw/zinc/08/89/30/175088930.db2.gz QEPGZLXPBCPSIF-LBPRGKRZSA-N 1 0 251.395 2.712 10 30 CFEERO OCC#Cc1ccc(C[N@@H+]2CCc3ccccc3C2)s1 ZINC000043679125 175089659 /nfs/dbraw/zinc/08/96/59/175089659.db2.gz MKHZBBYXAYBTAN-UHFFFAOYSA-N 1 0 283.396 2.650 10 30 CFEERO C[C@H]1C[C@H](C)C[NH+](Cc2sccc2C#CCCO)C1 ZINC000043679196 175089854 /nfs/dbraw/zinc/08/98/54/175089854.db2.gz XWXRWJMNPVWPAS-KBPBESRZSA-N 1 0 277.433 2.960 10 30 CFEERO CCC[N@H+](Cc1ccc(C#CCO)s1)C(C)C ZINC000043679473 175090289 /nfs/dbraw/zinc/09/02/89/175090289.db2.gz BGSRGAAMPNZMLZ-UHFFFAOYSA-N 1 0 251.395 2.712 10 30 CFEERO CC(C)[C@H](C)[N@H+](C)Cc1ccc(C#CCCO)s1 ZINC000043679724 175090518 /nfs/dbraw/zinc/09/05/18/175090518.db2.gz IXZVRCVIMYEOBQ-ZDUSSCGKSA-N 1 0 265.422 2.958 10 30 CFEERO C[N@H+](Cc1ccsc1)Cc1sccc1C#CCO ZINC000043679621 175090649 /nfs/dbraw/zinc/09/06/49/175090649.db2.gz FBRJFHKPMNKQRN-UHFFFAOYSA-N 1 0 277.414 2.785 10 30 CFEERO CN(Cc1ccc(C#CC[NH3+])s1)Cc1ccccc1F ZINC000043683924 175092237 /nfs/dbraw/zinc/09/22/37/175092237.db2.gz CMGPURFZYUUASP-UHFFFAOYSA-N 1 0 288.391 2.829 10 30 CFEERO [NH3+]CC#Cc1ccsc1COc1cccc(F)c1 ZINC000043684870 175093490 /nfs/dbraw/zinc/09/34/90/175093490.db2.gz NLOXBFSSHZOJIR-UHFFFAOYSA-N 1 0 261.321 2.776 10 30 CFEERO [NH3+]CC#Cc1ccc(COCCc2cccs2)s1 ZINC000043685424 175093937 /nfs/dbraw/zinc/09/39/37/175093937.db2.gz NJZOFSVJADNPOQ-UHFFFAOYSA-N 1 0 277.414 2.879 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2ccc(F)c(F)c2)s1 ZINC000043685282 175094158 /nfs/dbraw/zinc/09/41/58/175094158.db2.gz TYDCSJVSFHBHLW-UHFFFAOYSA-N 1 0 279.311 2.916 10 30 CFEERO N#Cc1cnc2ccccc2c1NC[C@H]1CCC[NH2+]C1 ZINC000044503205 175186266 /nfs/dbraw/zinc/18/62/66/175186266.db2.gz XQCWBTZWDQHQKF-LBPRGKRZSA-N 1 0 266.348 2.518 10 30 CFEERO COc1ccc(C#CCO)cc1C[N@H+](C)CC(C)(C)C ZINC000045086818 175303953 /nfs/dbraw/zinc/30/39/53/175303953.db2.gz ATLKEGUFNLNLHD-UHFFFAOYSA-N 1 0 275.392 2.517 10 30 CFEERO C[N@H+](Cc1ccc(C#CCCO)s1)CC(C)(C)C ZINC000045086822 175304151 /nfs/dbraw/zinc/30/41/51/175304151.db2.gz VETCVXQIEPXHFO-UHFFFAOYSA-N 1 0 265.422 2.960 10 30 CFEERO C[N@H+](Cc1sccc1C#CCO)CC(C)(C)C ZINC000045086833 175304181 /nfs/dbraw/zinc/30/41/81/175304181.db2.gz HFIGMYSNSGFIDV-UHFFFAOYSA-N 1 0 251.395 2.570 10 30 CFEERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000045171567 175321352 /nfs/dbraw/zinc/32/13/52/175321352.db2.gz WPDLGUHJQOIABA-LLVKDONJSA-N 1 0 268.364 2.759 10 30 CFEERO N#Cc1cc(NCC[C@H]2CCC[NH2+]C2)nc2ccccc12 ZINC000068771222 175814502 /nfs/dbraw/zinc/81/45/02/175814502.db2.gz CMVPARXWEPLYPG-CYBMUJFWSA-N 1 0 280.375 2.908 10 30 CFEERO O=C(C[n+]1cccc(Cn2cccc2)c1)c1ccc(F)cc1 ZINC000002380458 260009200 /nfs/dbraw/zinc/00/92/00/260009200.db2.gz LUURZFMMDQTZKO-UHFFFAOYSA-N 1 0 295.337 2.846 10 30 CFEERO C=CCC1(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CCC1 ZINC000249713148 261257289 /nfs/dbraw/zinc/25/72/89/261257289.db2.gz ZIOFHNZLPWPPRL-UONOGXRCSA-N 1 0 264.413 2.578 10 30 CFEERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000399214540 267222885 /nfs/dbraw/zinc/22/28/85/267222885.db2.gz SQSQACZCHNGHJQ-GXFFZTMASA-N 1 0 264.756 2.557 10 30 CFEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000229601771 274419202 /nfs/dbraw/zinc/41/92/02/274419202.db2.gz WGQPPAJZBWBHQK-FZMZJTMJSA-N 1 0 266.348 2.659 10 30 CFEERO C[C@H]1[NH2+]CCC[C@H]1Nc1cccc(Br)c1C#N ZINC000169111539 274632723 /nfs/dbraw/zinc/63/27/23/274632723.db2.gz DXCLYICNDCDOTR-BXKDBHETSA-N 1 0 294.196 2.873 10 30 CFEERO C[C@H]([NH3+])[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000132468285 279421271 /nfs/dbraw/zinc/42/12/71/279421271.db2.gz DYNUNEOIZQZFMO-UWVGGRQHSA-N 1 0 283.297 2.751 10 30 CFEERO CN(C)C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185761820 327844662 /nfs/dbraw/zinc/84/46/62/327844662.db2.gz LALMHGFCUTUIHK-XIRDDKMYSA-N 1 0 271.408 2.961 10 30 CFEERO C[C@H](CCC#N)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000411667484 328098129 /nfs/dbraw/zinc/09/81/29/328098129.db2.gz IAQBSNDZUHZTIZ-LXTVHRRPSA-N 1 0 250.386 2.694 10 30 CFEERO N#Cc1cc(N[C@@H](CC[NH3+])C(F)F)ccc1C(F)(F)F ZINC000383346696 324438935 /nfs/dbraw/zinc/43/89/35/324438935.db2.gz ZQLZDQXGGAIZIE-JTQLQIEISA-N 1 0 293.239 2.971 10 30 CFEERO CC(C)[NH2+]CCCNc1c(F)cc(C#N)cc1F ZINC000584103471 325330690 /nfs/dbraw/zinc/33/06/90/325330690.db2.gz LRRIOYGAXFROKY-UHFFFAOYSA-N 1 0 253.296 2.636 10 30 CFEERO C=CCn1c(C)cc(C(=O)CN2CCS[C@@H](C)C2)c1C ZINC000171697045 329078505 /nfs/dbraw/zinc/07/85/05/329078505.db2.gz XTFNENFDINJKKN-ZDUSSCGKSA-N 1 0 292.448 2.911 10 30 CFEERO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000185730576 329330763 /nfs/dbraw/zinc/33/07/63/329330763.db2.gz PCVXHUTXAVPHSM-SOUVJXGZSA-N 1 0 264.413 2.674 10 30 CFEERO C#CCCNC(N[C@@H]1CC(C)(C)Oc2ccccc21)=[NH+]CC ZINC000261659904 329975259 /nfs/dbraw/zinc/97/52/59/329975259.db2.gz APXHNBDIHILSNN-OAHLLOKOSA-N 1 0 299.418 2.867 10 30 CFEERO Cc1ncc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)c(=O)[nH]1 ZINC000262154935 330000833 /nfs/dbraw/zinc/00/08/33/330000833.db2.gz AKSNFNFXEQFWGD-UHFFFAOYSA-N 1 0 299.378 2.541 10 30 CFEERO C[NH+]=C(N[C@H](C)c1ccccc1OC)N[C@H]1CC1(C)C ZINC000262603163 330022633 /nfs/dbraw/zinc/02/26/33/330022633.db2.gz ZHPBRHSXTKHAJG-RISCZKNCSA-N 1 0 275.396 2.720 10 30 CFEERO C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N[C@@H]1C[C@H]1C ZINC000262624717 330023232 /nfs/dbraw/zinc/02/32/32/330023232.db2.gz DFDFSHPNYHGZTA-NOZJJQNGSA-N 1 0 289.354 2.954 10 30 CFEERO C=CCNC(=[NH2+])NCC(C)(C)c1c(F)cccc1Cl ZINC000262629050 330023326 /nfs/dbraw/zinc/02/33/26/330023326.db2.gz DWVWTMBOSWRFAL-UHFFFAOYSA-N 1 0 283.778 2.847 10 30 CFEERO CN1CC[NH+]=C1NCC(C)(C)c1c(F)cccc1Cl ZINC000262659669 330024994 /nfs/dbraw/zinc/02/49/94/330024994.db2.gz MNXSIQCKMIJZLJ-UHFFFAOYSA-N 1 0 283.778 2.648 10 30 CFEERO C[C@H]1C[NH+]=C(NC2CC(c3ccc(F)c(Cl)c3)C2)N1 ZINC000262676711 330026321 /nfs/dbraw/zinc/02/63/21/330026321.db2.gz UGOYUISDWNMOEN-PUSIOWJLSA-N 1 0 281.762 2.662 10 30 CFEERO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)cc1 ZINC000218998690 333139867 /nfs/dbraw/zinc/13/98/67/333139867.db2.gz HUQAARAILUSCNN-DOTOQJQBSA-N 1 0 275.392 2.892 10 30 CFEERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(OCC#N)cc1 ZINC000251782771 334369608 /nfs/dbraw/zinc/36/96/08/334369608.db2.gz TVGIJSWUUIXAIN-VBNZEHGJSA-N 1 0 274.364 2.543 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCCC(C)(C)C#N ZINC000252606212 334383161 /nfs/dbraw/zinc/38/31/61/334383161.db2.gz QJDFWZZPVHCEHI-CABCVRRESA-N 1 0 263.429 2.875 10 30 CFEERO CC[N@H+](CC[C@H](C#N)NC(C)C)C1CCCCC1 ZINC000062368346 521158339 /nfs/dbraw/zinc/15/83/39/521158339.db2.gz LLAQIROPXSHRHF-CQSZACIVSA-N 1 0 251.418 2.921 10 30 CFEERO CCCN(CC[NH+](C)C)[C@@H](CC#N)c1ccccc1 ZINC000055020682 521658165 /nfs/dbraw/zinc/65/81/65/521658165.db2.gz HDSOUWQCVYVFKR-INIZCTEOSA-N 1 0 259.397 2.915 10 30 CFEERO CCC[N@H+](CCOc1ccc(C#CCO)cc1)C(C)C ZINC000049617648 521668804 /nfs/dbraw/zinc/66/88/04/521668804.db2.gz KQYCKNYOQVGBME-UHFFFAOYSA-N 1 0 275.392 2.530 10 30 CFEERO C#CCOc1ccc(C[NH2+][C@@H](C)CC)cc1OCC ZINC000045945815 518325478 /nfs/dbraw/zinc/32/54/78/518325478.db2.gz PWPDCUOMZUQKOV-ZDUSSCGKSA-N 1 0 261.365 2.985 10 30 CFEERO C#Cc1cccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000050940621 518363217 /nfs/dbraw/zinc/36/32/17/518363217.db2.gz XIEXCGHHLOJUNX-AWEZNQCLSA-N 1 0 256.349 2.529 10 30 CFEERO C=CCNC(=O)[C@@H](C)[NH2+]C1CCC(CCC)CC1 ZINC000049545535 518911654 /nfs/dbraw/zinc/91/16/54/518911654.db2.gz HHQKYJFHTOKWFM-IYXRBSQSSA-N 1 0 252.402 2.626 10 30 CFEERO CC(C)C[C@H](C[NH3+])Nc1ncc(Br)cc1C#N ZINC000310100228 519346639 /nfs/dbraw/zinc/34/66/39/519346639.db2.gz XHWDNBBIDOIFBD-LLVKDONJSA-N 1 0 297.200 2.501 10 30 CFEERO CC(C)C[N@H+](CC(=O)Nc1ccccc1C#N)C1CC1 ZINC000055386779 519709917 /nfs/dbraw/zinc/70/99/17/519709917.db2.gz DLARXZPBPAKJOS-UHFFFAOYSA-N 1 0 271.364 2.617 10 30 CFEERO CC(C)[C@@H](C)[N@H+](C)CCOc1ccc(C#CCCO)cc1 ZINC000049618541 519791215 /nfs/dbraw/zinc/79/12/15/519791215.db2.gz NNSAYUMNFZOPHM-MRXNPFEDSA-N 1 0 289.419 2.776 10 30 CFEERO CCC1CC[NH+](Cc2ccc(C#CCO)cc2)CC1 ZINC000049614980 519859510 /nfs/dbraw/zinc/85/95/10/519859510.db2.gz BSVZRMMBNOQBGJ-UHFFFAOYSA-N 1 0 257.377 2.652 10 30 CFEERO CCCCC[C@H](C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049105947 520308162 /nfs/dbraw/zinc/30/81/62/520308162.db2.gz XCWYXJYXLMFGSO-AWEZNQCLSA-N 1 0 272.392 2.695 10 30 CFEERO CC[NH+](CC)C[C@@H](C)N[C@H](CC#N)c1ccccc1 ZINC000055018959 520719702 /nfs/dbraw/zinc/71/97/02/520719702.db2.gz OAIZCGKYPWMMMJ-GDBMZVCRSA-N 1 0 259.397 2.961 10 30 CFEERO CC[N@@H+](Cc1ccc(C#CCO)cc1F)CC(C)C ZINC000049617259 521297929 /nfs/dbraw/zinc/29/79/29/521297929.db2.gz SARDKXIPPYOBAC-UHFFFAOYSA-N 1 0 263.356 2.647 10 30 CFEERO CCC[N@H+](C(C)C)[C@H](C/C(N)=N/O)c1ccccc1 ZINC000055020917 521452056 /nfs/dbraw/zinc/45/20/56/521452056.db2.gz UHKIOMOLEYQBKR-CQSZACIVSA-N 1 0 263.385 2.985 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1F ZINC000223555680 521630742 /nfs/dbraw/zinc/63/07/42/521630742.db2.gz POSGXLOTLJNIFR-OAHLLOKOSA-N 1 0 275.371 2.613 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(C#N)c1F ZINC000223555729 521653573 /nfs/dbraw/zinc/65/35/73/521653573.db2.gz POSGXLOTLJNIFR-HNNXBMFYSA-N 1 0 275.371 2.613 10 30 CFEERO CCC[N@H+](Cc1ccc(F)c(C#CCO)c1)C(C)C ZINC000049617663 521683635 /nfs/dbraw/zinc/68/36/35/521683635.db2.gz ZOTWCIAPDZGDKQ-UHFFFAOYSA-N 1 0 263.356 2.790 10 30 CFEERO CCC[N@H+](Cc1ccc(F)cc1C#CCO)C1CC1 ZINC000049617697 521684498 /nfs/dbraw/zinc/68/44/98/521684498.db2.gz LFVSFOHEOPCZEE-UHFFFAOYSA-N 1 0 261.340 2.544 10 30 CFEERO CC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C#CCCO)c1 ZINC000049617182 522064119 /nfs/dbraw/zinc/06/41/19/522064119.db2.gz QWNVSWMBQCPLJH-CQSZACIVSA-N 1 0 275.392 2.659 10 30 CFEERO CC[C@H]([NH3+])CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000164089029 522330735 /nfs/dbraw/zinc/33/07/35/522330735.db2.gz REWXZEKEZVLFJO-VIFPVBQESA-N 1 0 257.259 2.726 10 30 CFEERO CC[C@H]1CCC[N@H+](CCOc2cccc(C#CCO)c2)C1 ZINC000049613036 523087237 /nfs/dbraw/zinc/08/72/37/523087237.db2.gz PNIHZZNVCPBBAF-INIZCTEOSA-N 1 0 287.403 2.531 10 30 CFEERO CC[C@@H]1CCCC[N@@H+]1Cc1cccc(C#CCO)c1 ZINC000049617499 523179032 /nfs/dbraw/zinc/17/90/32/523179032.db2.gz VMSIOXPXGRBKMQ-QGZVFWFLSA-N 1 0 257.377 2.795 10 30 CFEERO COc1ccc(C#CCCO)cc1C[N@@H+]1CCCC[C@H]1C ZINC000049615701 523510868 /nfs/dbraw/zinc/51/08/68/523510868.db2.gz BSHXKSZJAAHWPZ-OAHLLOKOSA-N 1 0 287.403 2.804 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1COc1ccccc1F ZINC000049610448 523516261 /nfs/dbraw/zinc/51/62/61/523516261.db2.gz JGOZONHKGLHQAN-UHFFFAOYSA-N 1 0 285.318 2.724 10 30 CFEERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000195520291 523601218 /nfs/dbraw/zinc/60/12/18/523601218.db2.gz ADRRKKLFRDMLNT-MRXNPFEDSA-N 1 0 295.390 2.549 10 30 CFEERO CN(c1cc(C#N)c2ccccc2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261916979 523632644 /nfs/dbraw/zinc/63/26/44/523632644.db2.gz HFEGCRJLYRMOQF-YIONKMFJSA-N 1 0 292.386 2.826 10 30 CFEERO C[NH+]1CCC(CNc2ccc(Cl)c(C#N)c2)CC1 ZINC000054241242 523765222 /nfs/dbraw/zinc/76/52/22/523765222.db2.gz KADRWINZQNDALK-UHFFFAOYSA-N 1 0 263.772 2.965 10 30 CFEERO COc1ccc(C[N@H+](C)CC(C)C)cc1C#CCCO ZINC000049617754 524001842 /nfs/dbraw/zinc/00/18/42/524001842.db2.gz AIJKRSXSQHUUEW-UHFFFAOYSA-N 1 0 275.392 2.517 10 30 CFEERO COc1ccc(C[N@H+](C)[C@H](C)C(C)C)cc1C#CCO ZINC000049618586 524009432 /nfs/dbraw/zinc/00/94/32/524009432.db2.gz NIBLNMAAUWMCJE-CQSZACIVSA-N 1 0 275.392 2.515 10 30 CFEERO COc1ccc(C[N@H+](C)[C@@H](C)C(C)C)cc1C#CCCO ZINC000049618560 524009705 /nfs/dbraw/zinc/00/97/05/524009705.db2.gz JJIRSYCHWXPIFS-HNNXBMFYSA-N 1 0 289.419 2.905 10 30 CFEERO C[C@H]1CCC[N@H+](CCOc2cccc(C#CCCO)c2)C1 ZINC000049615989 524092240 /nfs/dbraw/zinc/09/22/40/524092240.db2.gz LGVAORPWOVQZSU-INIZCTEOSA-N 1 0 287.403 2.531 10 30 CFEERO C[C@@H]1CCCC[C@@H]1OCCOc1ccc(C#CC[NH3+])cc1 ZINC000049610670 524150311 /nfs/dbraw/zinc/15/03/11/524150311.db2.gz GXFSSWNBYCIKBH-QAPCUYQASA-N 1 0 287.403 2.971 10 30 CFEERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000049616926 524363428 /nfs/dbraw/zinc/36/34/28/524363428.db2.gz KJOSGJDKZUKWPY-OKILXGFUSA-N 1 0 275.367 2.932 10 30 CFEERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccccc1C#CCO ZINC000049616890 524363828 /nfs/dbraw/zinc/36/38/28/524363828.db2.gz VWUFYQAETLAVQC-GASCZTMLSA-N 1 0 257.377 2.793 10 30 CFEERO C[C@@H]1CCC[C@H](OCCOc2cccc(C#CC[NH3+])c2)C1 ZINC000049610994 524411745 /nfs/dbraw/zinc/41/17/45/524411745.db2.gz VHSYVQPLYRLZDG-WBVHZDCISA-N 1 0 287.403 2.971 10 30 CFEERO C[C@@H]1CCC[C@](C[NH2+]CCCCC#N)(N(C)C)C1 ZINC000049578496 524430881 /nfs/dbraw/zinc/43/08/81/524430881.db2.gz KNRQDOPZLZXXSS-CABCVRRESA-N 1 0 251.418 2.780 10 30 CFEERO C[C@@H](CN1CCCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000049149432 524593391 /nfs/dbraw/zinc/59/33/91/524593391.db2.gz UBQDXQXHMIQDJW-KBPBESRZSA-N 1 0 257.381 2.693 10 30 CFEERO C[C@@H](CN1CCCC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000049151371 524596014 /nfs/dbraw/zinc/59/60/14/524596014.db2.gz GNJTUJIOCZMSMK-KBPBESRZSA-N 1 0 257.381 2.693 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(C#N)ccc1F ZINC000083704540 524686155 /nfs/dbraw/zinc/68/61/55/524686155.db2.gz DZSZYMCKLXWQCM-XJKSGUPXSA-N 1 0 287.382 2.756 10 30 CFEERO C[C@H](NC(=O)CC1CCCC1)c1ccc(C#CC[NH3+])cc1 ZINC000049586743 524924965 /nfs/dbraw/zinc/92/49/65/524924965.db2.gz PXRHGDNRTGZBTD-AWEZNQCLSA-N 1 0 284.403 2.754 10 30 CFEERO C[C@H](NC(=O)CCC1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000050944174 524927606 /nfs/dbraw/zinc/92/76/06/524927606.db2.gz IVYFVPWYMQPJCD-ZDUSSCGKSA-N 1 0 285.391 2.515 10 30 CFEERO C[C@H]1Cc2ccccc2N1Cc1ccc(C#CC[NH3+])cc1 ZINC000049608555 524994181 /nfs/dbraw/zinc/99/41/81/524994181.db2.gz FQTNSMYAZJNBHX-HNNXBMFYSA-N 1 0 276.383 2.948 10 30 CFEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(C#CCO)c1 ZINC000050566732 525641420 /nfs/dbraw/zinc/64/14/20/525641420.db2.gz HIPLMWYFOXJOHZ-LSDHHAIUSA-N 1 0 257.377 2.651 10 30 CFEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000050566736 525642681 /nfs/dbraw/zinc/64/26/81/525642681.db2.gz WKRVFUFYXJDHOM-UONOGXRCSA-N 1 0 275.367 2.790 10 30 CFEERO Cc1c(C)n([C@H](C)C[NH+]2CCCCC2)c(N)c1C#N ZINC000049502407 525687311 /nfs/dbraw/zinc/68/73/11/525687311.db2.gz ZSLBUFQJOQRWFF-LLVKDONJSA-N 1 0 260.385 2.606 10 30 CFEERO Cc1ccc([C@H](C)NC(=O)c2ccc(C#CC[NH3+])cc2)s1 ZINC000049189283 525910467 /nfs/dbraw/zinc/91/04/67/525910467.db2.gz OCCCZDZDZDSACN-ZDUSSCGKSA-N 1 0 298.411 2.858 10 30 CFEERO COc1cccc(OCc2ccc(C#CC[NH3+])cc2F)c1 ZINC000049610435 526236678 /nfs/dbraw/zinc/23/66/78/526236678.db2.gz UNQSRWVMOSLVCQ-UHFFFAOYSA-N 1 0 285.318 2.724 10 30 CFEERO N#Cc1c(Cl)cccc1N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000052906411 526518852 /nfs/dbraw/zinc/51/88/52/526518852.db2.gz HHGGQJZZSSDMGX-DZGCQCFKSA-N 1 0 275.783 2.932 10 30 CFEERO N#Cc1ccc(NC(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000063191047 526656468 /nfs/dbraw/zinc/65/64/68/526656468.db2.gz IOBNQDDKRAZKCP-UHFFFAOYSA-N 1 0 266.304 2.661 10 30 CFEERO N#Cc1ccc(N[C@@H]2CC[C@H](C[NH3+])C2)c(Br)c1 ZINC000335576290 526666414 /nfs/dbraw/zinc/66/64/14/526666414.db2.gz ASAFRVCSOFFIMG-GXSJLCMTSA-N 1 0 294.196 2.860 10 30 CFEERO [NH3+]CC#Cc1cc(Cn2cnc3ccccc32)ccc1F ZINC000049610108 527147214 /nfs/dbraw/zinc/14/72/14/527147214.db2.gz NGRXHXKKJKIYQJ-UHFFFAOYSA-N 1 0 279.318 2.534 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1COc1ccc(F)cc1F ZINC000049610389 527148885 /nfs/dbraw/zinc/14/88/85/527148885.db2.gz AHPWYXMDWRZSHA-UHFFFAOYSA-N 1 0 291.272 2.993 10 30 CFEERO [NH3+]CC#Cc1ccc(Cn2cnc3ccccc32)c(F)c1 ZINC000049610105 527150807 /nfs/dbraw/zinc/15/08/07/527150807.db2.gz YSVYRMMOOXCFCK-UHFFFAOYSA-N 1 0 279.318 2.534 10 30 CFEERO [NH3+]CC#Cc1cccc(COc2cccc(F)c2)c1 ZINC000049610566 527153294 /nfs/dbraw/zinc/15/32/94/527153294.db2.gz GJUVNNOWUCUQCW-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO [NH3+]CC#Cc1cccc(COCc2cccs2)c1 ZINC000049611171 527153769 /nfs/dbraw/zinc/15/37/69/527153769.db2.gz ZHBHOFWIGHLAMO-UHFFFAOYSA-N 1 0 257.358 2.775 10 30 CFEERO OCCC#Cc1ccc(C[NH+]2CCCCCC2)c(F)c1 ZINC000049616125 527530792 /nfs/dbraw/zinc/53/07/92/527530792.db2.gz ZURAMVLYRPVIJF-UHFFFAOYSA-N 1 0 275.367 2.936 10 30 CFEERO CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CCCCNC1=O ZINC000329223953 528231520 /nfs/dbraw/zinc/23/15/20/528231520.db2.gz YVLYRPPFDSRCTP-KGLIPLIRSA-N 1 0 295.427 2.964 10 30 CFEERO CCC[NH+](CCC)Cc1cc(C#CCO)cs1 ZINC000043689801 570261740 /nfs/dbraw/zinc/26/17/40/570261740.db2.gz BGOZINXWYDLGND-UHFFFAOYSA-N 1 0 251.395 2.714 10 30 CFEERO C#CCC[NH2+]Cc1ccc(OC)cc1Br ZINC000308790771 618808019 /nfs/dbraw/zinc/80/80/19/618808019.db2.gz CUNZGISOXKVGPW-UHFFFAOYSA-N 1 0 268.154 2.571 10 30 CFEERO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000188419563 618171529 /nfs/dbraw/zinc/17/15/29/618171529.db2.gz PCVVTBXYVKVNRV-QGZVFWFLSA-N 1 0 295.386 2.560 10 30 CFEERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CC(C)(C)C#N)C1 ZINC000168920149 618202833 /nfs/dbraw/zinc/20/28/33/618202833.db2.gz DWTNMJIHWSFOSM-ZDUSSCGKSA-N 1 0 295.427 2.773 10 30 CFEERO N#Cc1sc(N2CCC([NH2+]CC3CC3)CC2)nc1Cl ZINC000236056144 618604492 /nfs/dbraw/zinc/60/44/92/618604492.db2.gz ONUFHMDHNTXQAX-UHFFFAOYSA-N 1 0 296.827 2.637 10 30 CFEERO CCN(c1ccc(C#N)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000214271372 619076736 /nfs/dbraw/zinc/07/67/36/619076736.db2.gz IQFIRICHVVMSHL-LLVKDONJSA-N 1 0 294.196 2.509 10 30 CFEERO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1O ZINC000228678003 620072628 /nfs/dbraw/zinc/07/26/28/620072628.db2.gz NIRLLXSHMUDEFH-JOYOIKCWSA-N 1 0 280.755 2.836 10 30 CFEERO CCCCCCCCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000150759864 622743442 /nfs/dbraw/zinc/74/34/42/622743442.db2.gz LADGYCXUTJVTEI-KBPBESRZSA-N 1 0 254.418 2.981 10 30 CFEERO C[C@H]1[NH2+]CCC[C@H]1Nc1nc2ccccc2cc1C#N ZINC000229611983 623215135 /nfs/dbraw/zinc/21/51/35/623215135.db2.gz FTKKBKRCGDEHCS-BXUZGUMPSA-N 1 0 266.348 2.659 10 30 CFEERO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000061891418 623240523 /nfs/dbraw/zinc/24/05/23/623240523.db2.gz NYPDFLCSTCDRJG-BXKDBHETSA-N 1 0 250.729 2.827 10 30 CFEERO CC#CCC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000158461737 650227538 /nfs/dbraw/zinc/22/75/38/650227538.db2.gz NPNVHLAUCITHLC-ZDUSSCGKSA-N 1 0 271.282 2.742 10 30 CFEERO C=C[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000123209838 639740913 /nfs/dbraw/zinc/74/09/13/639740913.db2.gz XWFUBJLCSKPGIH-CHWSQXEVSA-N 1 0 268.401 2.798 10 30 CFEERO C#CCOc1ccc([C@@H](C)[NH2+]CCn2cc(C)cn2)cc1 ZINC000123861806 641505147 /nfs/dbraw/zinc/50/51/47/641505147.db2.gz KUTPROISSQFYIE-OAHLLOKOSA-N 1 0 283.375 2.554 10 30 CFEERO C#CCC[NH2+]Cc1cc(OC)ccc1Br ZINC000083703001 650765883 /nfs/dbraw/zinc/76/58/83/650765883.db2.gz RVDHIRMGGRVFMN-UHFFFAOYSA-N 1 0 268.154 2.571 10 30 CFEERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000250593855 650976274 /nfs/dbraw/zinc/97/62/74/650976274.db2.gz OJZGGIVDMSTAMZ-MELADBBJSA-N 1 0 293.411 2.668 10 30 CFEERO C[C@@H]1CN(c2ccc(C#N)cc2Cl)C[C@H]1[NH+](C)C ZINC000251848960 650995972 /nfs/dbraw/zinc/99/59/72/650995972.db2.gz RGFYSKXYVFPSIP-QMTHXVAHSA-N 1 0 263.772 2.598 10 30 CFEERO N#Cc1ccc(NC[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000130914684 645590762 /nfs/dbraw/zinc/59/07/62/645590762.db2.gz KSSJALOLNSORGB-LLVKDONJSA-N 1 0 283.297 2.989 10 30 CFEERO N#Cc1ccc(OCCC[N@@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000117690395 651287427 /nfs/dbraw/zinc/28/74/27/651287427.db2.gz BLVRCJXNOCVKLA-HOCLYGCPSA-N 1 0 256.349 2.811 10 30 CFEERO C[C@H]1Cc2ccccc2N1C(=O)C[N+](C)(C)C1CCCC1 ZINC000029413621 717118507 /nfs/dbraw/zinc/11/85/07/717118507.db2.gz LHGKLRUOYFIRCW-AWEZNQCLSA-N 1 0 287.427 2.983 10 30 CFEERO C[C@H]1C[C@H](C)CN(C(=O)C[N+](C)(C)C2CCCC2)C1 ZINC000073712987 717134814 /nfs/dbraw/zinc/13/48/14/717134814.db2.gz HEJXHULCWVADJL-KBPBESRZSA-N 1 0 267.437 2.510 10 30 CFEERO C[C@H]1CCC[C@H](C)N1C(=O)C[N+](C)(C)C1CCCC1 ZINC000128730343 717150681 /nfs/dbraw/zinc/15/06/81/717150681.db2.gz AUVYGLRIIMMWFF-KBPBESRZSA-N 1 0 267.437 2.795 10 30 CFEERO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000127701669 187327663 /nfs/dbraw/zinc/32/76/63/187327663.db2.gz VSTLGGDKTSFFFV-IAGOWNOFSA-N 1 0 296.374 2.542 10 30 CFEERO CN1C(=O)CCC12CCC([NH2+]Cc1cccc(C#N)c1)CC2 ZINC000096075819 185089986 /nfs/dbraw/zinc/08/99/86/185089986.db2.gz KSUYYYZDKUHAMP-UHFFFAOYSA-N 1 0 297.402 2.581 10 30 CFEERO COc1cccc(OCC[NH2+][C@@H]2CCCC[C@@H]2C#N)c1 ZINC000595694716 349705988 /nfs/dbraw/zinc/70/59/88/349705988.db2.gz PBMBLTMVQAFXMZ-CZUORRHYSA-N 1 0 274.364 2.746 10 30 CFEERO C[C@@H]1C/C(=N\OC[C@H](O)C[NH2+]C(C)(C)C)CC(C)(C)C1 ZINC000038811114 346339852 /nfs/dbraw/zinc/33/98/52/346339852.db2.gz YQZGYLVYTGIJAX-MLFOFMRXSA-N 1 0 284.444 2.954 10 30 CFEERO NC(=[NH2+])Nc1c(Cl)cc(Br)cc1Cl ZINC000052091839 346514023 /nfs/dbraw/zinc/51/40/23/346514023.db2.gz QWPYNNHKBOMXBA-UHFFFAOYSA-N 1 0 282.956 2.661 10 30 CFEERO C[NH2+]CCC1CCN(c2cccc(F)c2C#N)CC1 ZINC000070190150 136708446 /nfs/dbraw/zinc/70/84/46/136708446.db2.gz MOEMZZRGOALQEW-UHFFFAOYSA-N 1 0 261.344 2.523 10 30 CFEERO CCc1ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000123182426 347818637 /nfs/dbraw/zinc/81/86/37/347818637.db2.gz MGJRUMXDNBWJKN-UGSOOPFHSA-N 1 0 299.418 2.708 10 30 CFEERO C#CCCCCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000123640825 347820614 /nfs/dbraw/zinc/82/06/14/347820614.db2.gz MBUBPNQZQNYXHN-INIZCTEOSA-N 1 0 286.419 2.817 10 30 CFEERO C=C[C@H]([NH2+]C)c1csc(I)c1 ZINC000130531052 347871834 /nfs/dbraw/zinc/87/18/34/347871834.db2.gz YYASAAXUDGWIGH-ZETCQYMHSA-N 1 0 279.146 2.799 10 30 CFEERO N#Cc1cc(NC2CC[NH2+]CC2)ccc1C(F)(F)F ZINC000164064735 348035856 /nfs/dbraw/zinc/03/58/56/348035856.db2.gz HYRBZPXZDUXZFK-UHFFFAOYSA-N 1 0 269.270 2.741 10 30 CFEERO C=CCC[C@H]([NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000167790291 348046176 /nfs/dbraw/zinc/04/61/76/348046176.db2.gz VIGSYHOYIAWRRA-NSHDSACASA-N 1 0 251.326 2.678 10 30 CFEERO C=C[C@@H](CC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000128721459 187386204 /nfs/dbraw/zinc/38/62/04/187386204.db2.gz FNAJFHSXMCRFBB-GOEBONIOSA-N 1 0 272.392 2.509 10 30 CFEERO N#Cc1ccc(NC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000214270765 348161698 /nfs/dbraw/zinc/16/16/98/348161698.db2.gz DJJVURZEXBTGHW-NSHDSACASA-N 1 0 294.196 2.875 10 30 CFEERO CC[N@@H+]1CCC[C@](C#N)(Nc2ccc(OC)cc2)CC1 ZINC000086849067 179358160 /nfs/dbraw/zinc/35/81/60/179358160.db2.gz GYOAJDYYHRKSMB-INIZCTEOSA-N 1 0 273.380 2.875 10 30 CFEERO Cc1cc(C#N)ccc1CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000229150775 348199085 /nfs/dbraw/zinc/19/90/85/348199085.db2.gz UFPKNHCJDZHBAI-CRAIPNDOSA-N 1 0 283.419 2.925 10 30 CFEERO N#Cc1cc(Br)ccc1NC[C@H]1CCCC[NH2+]1 ZINC000229247322 348199303 /nfs/dbraw/zinc/19/93/03/348199303.db2.gz NRXGZEZDGJNZCM-GFCCVEGCSA-N 1 0 294.196 2.875 10 30 CFEERO C=CC[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[NH+](C)C ZINC000584595022 348683019 /nfs/dbraw/zinc/68/30/19/348683019.db2.gz SKJNMIBNSQEAPH-ZDUSSCGKSA-N 1 0 279.380 2.761 10 30 CFEERO N#Cc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[NH2+]CC3 ZINC000584607000 348687796 /nfs/dbraw/zinc/68/77/96/348687796.db2.gz GKHSHSDRXYOKCP-USXIJHARSA-N 1 0 252.361 2.904 10 30 CFEERO NC(=[NH2+])NN=Cc1ccc(Sc2ccccc2)cc1 ZINC000584605471 348687888 /nfs/dbraw/zinc/68/78/88/348687888.db2.gz PMQPXKVFQGMCLT-LICLKQGHSA-N 1 0 270.361 2.655 10 30 CFEERO C=C[C@H](C)CC1([C@@H]([NH3+])Cc2ccccc2)OCCO1 ZINC000584614835 348690867 /nfs/dbraw/zinc/69/08/67/348690867.db2.gz LCEOWEGJBRZFRJ-ZFWWWQNUSA-N 1 0 261.365 2.512 10 30 CFEERO CC1([NH3+])CCN(c2ccc(Br)cc2C#N)CC1 ZINC000591435650 349021382 /nfs/dbraw/zinc/02/13/82/349021382.db2.gz SNFFZYRKBVDVMM-UHFFFAOYSA-N 1 0 294.196 2.638 10 30 CFEERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000600962530 350638134 /nfs/dbraw/zinc/63/81/34/350638134.db2.gz FUXJJNJFAZWOFK-WCBMZHEXSA-N 1 0 269.270 2.503 10 30 CFEERO Cc1nc(N[C@H]2CC[C@H](C[NH3+])CC2)c(Cl)cc1C#N ZINC000600964002 350638944 /nfs/dbraw/zinc/63/89/44/350638944.db2.gz JAIVZSRHHPQLCM-UMSPYCQHSA-N 1 0 278.787 2.845 10 30 CFEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000600956686 350636801 /nfs/dbraw/zinc/63/68/01/350636801.db2.gz FTPJVHQZZJQRKF-QPUJVOFHSA-N 1 0 269.270 2.739 10 30 CFEERO N#Cc1csc(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000122116995 187016216 /nfs/dbraw/zinc/01/62/16/187016216.db2.gz YCMWLESDYIDMIF-UHFFFAOYSA-N 1 0 286.404 2.728 10 30 CFEERO N#Cc1cccc([C@@H]2CCN(CC[NH3+])c3ccccc32)c1 ZINC000616675149 352408711 /nfs/dbraw/zinc/40/87/11/352408711.db2.gz OCIFYJHXOSQQAG-INIZCTEOSA-N 1 0 277.371 2.859 10 30 CFEERO N#Cc1ccc(O[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000051872594 123819714 /nfs/dbraw/zinc/81/97/14/123819714.db2.gz DIDSPERFJWETOG-NSHDSACASA-N 1 0 270.254 2.708 10 30 CFEERO N#Cc1cc(F)c(N[C@H](C[NH3+])C2CCCC2)c(F)c1 ZINC000236285421 283097281 /nfs/dbraw/zinc/09/72/81/283097281.db2.gz JCPCHCUAFDJMSV-CYBMUJFWSA-N 1 0 265.307 2.766 10 30 CFEERO C=CCCC(C)(C)C[NH2+]Cc1c(C)nn(C)c1OC ZINC000631217930 355356714 /nfs/dbraw/zinc/35/67/14/355356714.db2.gz ISRVISDRGINAJM-UHFFFAOYSA-N 1 0 265.401 2.819 10 30 CFEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](C[NH3+])C1CCCCC1 ZINC000155831595 283112898 /nfs/dbraw/zinc/11/28/98/283112898.db2.gz QOGVKFVVTTWFQZ-HNNXBMFYSA-N 1 0 288.351 2.786 10 30 CFEERO N#Cc1ccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C(F)(F)F ZINC000261726403 283168344 /nfs/dbraw/zinc/16/83/44/283168344.db2.gz QTBGRILSDYNQIG-BXUZGUMPSA-N 1 0 295.308 2.765 10 30 CFEERO N#Cc1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C(F)(F)F ZINC000261726405 283166253 /nfs/dbraw/zinc/16/62/53/283166253.db2.gz QTBGRILSDYNQIG-FZMZJTMJSA-N 1 0 295.308 2.765 10 30 CFEERO N#Cc1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000131051838 283171787 /nfs/dbraw/zinc/17/17/87/283171787.db2.gz RPWGHDMJOJVTEK-LNSITVRQSA-N 1 0 275.783 2.775 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1OC ZINC000180838509 189279030 /nfs/dbraw/zinc/27/90/30/189279030.db2.gz BCWYZFDJKVOXQF-DLBZAZTESA-N 1 0 299.418 2.625 10 30 CFEERO Nc1ccc(Cl)cc1/C(=[NH+]\CCO)c1ccccc1 ZINC000001841413 371708735 /nfs/dbraw/zinc/70/87/35/371708735.db2.gz DRRPSTDRWJZCBV-SDXDJHTJSA-N 1 0 274.751 2.752 10 30 CFEERO CCc1ccc(C(=O)/C=C\[n+]2ccc(N(C)C)cc2)cc1 ZINC000033374005 372492586 /nfs/dbraw/zinc/49/25/86/372492586.db2.gz IBDLFBASDFVIHV-KAMYIIQDSA-N 1 0 281.379 2.956 10 30 CFEERO N#Cc1ccc(OCC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000042251450 372896439 /nfs/dbraw/zinc/89/64/39/372896439.db2.gz LJDVXUJCMLZPNY-IRXDYDNUSA-N 1 0 286.375 2.580 10 30 CFEERO C#CCOc1ccc2ccccc2c1C[NH2+][C@H](CC)CO ZINC000045945657 373038261 /nfs/dbraw/zinc/03/82/61/373038261.db2.gz OTPNMZDZTHCDEA-OAHLLOKOSA-N 1 0 283.371 2.712 10 30 CFEERO C#CCOc1c(C[NH2+][C@H](C)CC)cccc1OCC ZINC000045945802 373038851 /nfs/dbraw/zinc/03/88/51/373038851.db2.gz GALLORYZYIYUNB-CYBMUJFWSA-N 1 0 261.365 2.985 10 30 CFEERO C[C@@H]([NH3+])CCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000063171651 373790684 /nfs/dbraw/zinc/79/06/84/373790684.db2.gz WXOGTRGIOXFFHJ-MRVPVSSYSA-N 1 0 257.259 2.726 10 30 CFEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000070175012 374142504 /nfs/dbraw/zinc/14/25/04/374142504.db2.gz BSULUNYTYHRGDW-CHWSQXEVSA-N 1 0 280.375 2.670 10 30 CFEERO C#CCOc1ccccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000092810906 375157718 /nfs/dbraw/zinc/15/77/18/375157718.db2.gz ZQDZCNBAYWXJGG-UHFFFAOYSA-N 1 0 295.386 2.801 10 30 CFEERO C=CCOc1cccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000128416854 377334281 /nfs/dbraw/zinc/33/42/81/377334281.db2.gz WFACRMYIZGTTSA-INIZCTEOSA-N 1 0 297.402 2.974 10 30 CFEERO CC(C)([NH3+])CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000129671389 377458773 /nfs/dbraw/zinc/45/87/73/377458773.db2.gz LYWYBVNUIUUMGU-UHFFFAOYSA-N 1 0 257.259 2.726 10 30 CFEERO CCC([NH3+])(CC)CNc1nc(C(F)(F)F)ccc1C#N ZINC000133498760 377934332 /nfs/dbraw/zinc/93/43/32/377934332.db2.gz ZDPGKCLZHXLJMX-UHFFFAOYSA-N 1 0 286.301 2.901 10 30 CFEERO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135110158 378082742 /nfs/dbraw/zinc/08/27/42/378082742.db2.gz IKFWXTAGDPYLRM-MRXNPFEDSA-N 1 0 299.418 2.540 10 30 CFEERO CCCCCCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000158069457 378662357 /nfs/dbraw/zinc/66/23/57/378662357.db2.gz AFQILQLPXPZLFY-OAHLLOKOSA-N 1 0 264.417 2.961 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC(C)(C)C#N ZINC000158997500 378680608 /nfs/dbraw/zinc/68/06/08/378680608.db2.gz LLVGIZUXBFZJTR-LSDHHAIUSA-N 1 0 263.429 2.875 10 30 CFEERO Fc1ccc(C#CC[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000159978682 378740987 /nfs/dbraw/zinc/74/09/87/378740987.db2.gz OYLWWKGBLBTHOE-UHFFFAOYSA-N 1 0 297.377 2.786 10 30 CFEERO N#Cc1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)ccc1F ZINC000160722357 378793138 /nfs/dbraw/zinc/79/31/38/378793138.db2.gz RFYCQTKETYNBGH-NVXWUHKLSA-N 1 0 288.366 2.824 10 30 CFEERO N#Cc1cc(N2CCC[C@@H](C[NH3+])C2)ccc1C(F)(F)F ZINC000164072891 379003608 /nfs/dbraw/zinc/00/36/08/379003608.db2.gz ANROEVRRDCARMV-JTQLQIEISA-N 1 0 283.297 2.752 10 30 CFEERO N#CCCCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171037687 379215185 /nfs/dbraw/zinc/21/51/85/379215185.db2.gz SYHCHSYEIFHGHG-AWEZNQCLSA-N 1 0 258.369 2.509 10 30 CFEERO C[C@H](Nc1cccc(OCCCC#N)c1)[C@H]1CC[NH2+]C1 ZINC000400452843 380862540 /nfs/dbraw/zinc/86/25/40/380862540.db2.gz RMZGVENLQKXTKB-KBPBESRZSA-N 1 0 273.380 2.779 10 30 CFEERO C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000307606901 382468476 /nfs/dbraw/zinc/46/84/76/382468476.db2.gz DRBDPRYXRLYAOQ-VHSXEESVSA-N 1 0 262.781 2.630 10 30 CFEERO C(#Cc1ccccc1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000191978681 382703996 /nfs/dbraw/zinc/70/39/96/382703996.db2.gz SPRPWQBERBESRH-UHFFFAOYSA-N 1 0 265.360 2.641 10 30 CFEERO C=CCCCCC[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000193338485 382718899 /nfs/dbraw/zinc/71/88/99/382718899.db2.gz NOUVOJNDUMRCKE-QGZVFWFLSA-N 1 0 291.439 2.947 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1OC ZINC000245943745 383051308 /nfs/dbraw/zinc/05/13/08/383051308.db2.gz BCWYZFDJKVOXQF-IRXDYDNUSA-N 1 0 299.418 2.625 10 30 CFEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000249283371 383336756 /nfs/dbraw/zinc/33/67/56/383336756.db2.gz OHZIZLXOUIEXKR-CZUORRHYSA-N 1 0 280.375 2.842 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC#Cc1ccccc1 ZINC000248840947 383296639 /nfs/dbraw/zinc/29/66/39/383296639.db2.gz LKIVZOXGJHLOGF-ROUUACIJSA-N 1 0 268.404 2.597 10 30 CFEERO CC(C)(C#N)CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252475894 383410335 /nfs/dbraw/zinc/41/03/35/383410335.db2.gz JXRPJRUYVXXMES-ZFWWWQNUSA-N 1 0 250.386 2.553 10 30 CFEERO C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C[NH3+] ZINC000253197316 383447895 /nfs/dbraw/zinc/44/78/95/383447895.db2.gz URUDZCZGRHSKKG-ZYHUDNBSSA-N 1 0 297.324 2.998 10 30 CFEERO C=CCCC(C)(C)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638873472 385004972 /nfs/dbraw/zinc/00/49/72/385004972.db2.gz AHLQZQNSSRIELL-QWHCGFSZSA-N 1 0 252.402 2.613 10 30 CFEERO C#CCSCC[NH2+]Cc1[nH]c(CCCC)nc1Cl ZINC000194466256 533201651 /nfs/dbraw/zinc/20/16/51/533201651.db2.gz OBXVJOVDYAPIOB-UHFFFAOYSA-N 1 0 285.844 2.862 10 30 CFEERO C#CC(C)(C)[NH2+]Cc1cccc(I)c1 ZINC000307434948 393513578 /nfs/dbraw/zinc/51/35/78/393513578.db2.gz RJNRMTNFTYAXLT-UHFFFAOYSA-N 1 0 299.155 2.793 10 30 CFEERO C#CCOC[C@@H](O)C[N@H+](Cc1ccc(C)s1)[C@@H](C)CC ZINC000036101259 393522097 /nfs/dbraw/zinc/52/20/97/393522097.db2.gz BJYDSNDJZITGCK-ZFWWWQNUSA-N 1 0 295.448 2.668 10 30 CFEERO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000192868637 393635646 /nfs/dbraw/zinc/63/56/46/393635646.db2.gz SUOUFIQZZWTNKY-LLVKDONJSA-N 1 0 285.372 2.909 10 30 CFEERO C[C@H](CCC#N)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000411667487 393737428 /nfs/dbraw/zinc/73/74/28/393737428.db2.gz IAQBSNDZUHZTIZ-TUVASFSCSA-N 1 0 250.386 2.694 10 30 CFEERO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122329125 393967631 /nfs/dbraw/zinc/96/76/31/393967631.db2.gz GZHIQRLDSATAQR-KBPBESRZSA-N 1 0 287.407 2.660 10 30 CFEERO CC#CCC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000155751948 394322269 /nfs/dbraw/zinc/32/22/69/394322269.db2.gz MVMGHRYDNHDVAC-OAHLLOKOSA-N 1 0 257.381 2.537 10 30 CFEERO C[C@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C[NH3+] ZINC000163964664 394369171 /nfs/dbraw/zinc/36/91/71/394369171.db2.gz NRTFGAWEIPBEGY-JQWIXIFHSA-N 1 0 297.324 2.998 10 30 CFEERO COCC#CC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000381740611 543090859 /nfs/dbraw/zinc/09/08/59/543090859.db2.gz OWOUDORLDCQLRH-LLVKDONJSA-N 1 0 282.181 2.750 10 30 CFEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000162922426 397605173 /nfs/dbraw/zinc/60/51/73/397605173.db2.gz DIJABWJQZCJTFB-SWLSCSKDSA-N 1 0 289.810 2.880 10 30 CFEERO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)N(C)C ZINC000020145608 171030817 /nfs/dbraw/zinc/03/08/17/171030817.db2.gz GTCMSAJKDJVXFZ-CJNGLKHVSA-N 1 0 259.397 2.795 10 30 CFEERO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N(C)C ZINC000020145605 171031004 /nfs/dbraw/zinc/03/10/04/171031004.db2.gz GTCMSAJKDJVXFZ-XJKSGUPXSA-N 1 0 259.397 2.795 10 30 CFEERO Cc1ccc(C(=O)C[n+]2ccccc2Br)cc1 ZINC000027526232 171519584 /nfs/dbraw/zinc/51/95/84/171519584.db2.gz GFHHLQXQWWBUDZ-UHFFFAOYSA-N 1 0 291.168 2.928 10 30 CFEERO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1N ZINC000035360824 172152291 /nfs/dbraw/zinc/15/22/91/172152291.db2.gz GPAVALXHVUNNSD-UHFFFAOYSA-N 1 0 251.333 2.772 10 30 CFEERO N#Cc1ccc(Cl)cc1NC(=O)CCCCC[NH3+] ZINC000037015393 172874193 /nfs/dbraw/zinc/87/41/93/172874193.db2.gz BDLJXICEUJZQBB-UHFFFAOYSA-N 1 0 265.744 2.669 10 30 CFEERO C#CC[NH+]1CCC(Nc2cc(C)ccc2OC)CC1 ZINC000037200827 173025274 /nfs/dbraw/zinc/02/52/74/173025274.db2.gz IFVPWAUBUYBUOV-UHFFFAOYSA-N 1 0 258.365 2.513 10 30 CFEERO C=CCC1([NH2+]C[C@@H](O)COCCCC)CCCC1 ZINC000661851622 414257194 /nfs/dbraw/zinc/25/71/94/414257194.db2.gz YFDKAFUAPQRYQY-CQSZACIVSA-N 1 0 255.402 2.643 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000659330869 414501089 /nfs/dbraw/zinc/50/10/89/414501089.db2.gz BTUWGICFYCDGLI-YJNKXOJESA-N 1 0 264.413 2.626 10 30 CFEERO N#C[C@H](c1c(Cl)cccc1Cl)N1CCC[NH2+]CC1 ZINC000037940558 173880441 /nfs/dbraw/zinc/88/04/41/173880441.db2.gz IRTZVXLKCKMQRV-GFCCVEGCSA-N 1 0 284.190 2.853 10 30 CFEERO N#Cc1cc(NC(=O)CC2CC[NH2+]CC2)ccc1Cl ZINC000038075307 174085093 /nfs/dbraw/zinc/08/50/93/174085093.db2.gz SUZZYKJOQRYGDM-UHFFFAOYSA-N 1 0 277.755 2.540 10 30 CFEERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000040502950 174299271 /nfs/dbraw/zinc/29/92/71/174299271.db2.gz SVIUTAXIKBYVHH-XJKSGUPXSA-N 1 0 257.381 2.693 10 30 CFEERO N#Cc1ccc([C@@H](O)C[NH2+]Cc2cc3c(s2)CCC3)cc1 ZINC000040626741 174356697 /nfs/dbraw/zinc/35/66/97/174356697.db2.gz NLIJFDCKIOMCEI-INIZCTEOSA-N 1 0 298.411 2.932 10 30 CFEERO COc1cc(C#N)ccc1O[C@H](C[NH3+])c1ccccc1 ZINC000042899668 174905302 /nfs/dbraw/zinc/90/53/02/174905302.db2.gz UVKLEHNCVKLZGV-MRXNPFEDSA-N 1 0 268.316 2.646 10 30 CFEERO Cc1ccc([C@@H](C[NH3+])Oc2ccc(C#N)cc2)cc1 ZINC000042906888 174908541 /nfs/dbraw/zinc/90/85/41/174908541.db2.gz LCXWJZIJNMRTBQ-MRXNPFEDSA-N 1 0 252.317 2.946 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1C#N)c1ccccn1 ZINC000043342572 175015961 /nfs/dbraw/zinc/01/59/61/175015961.db2.gz SVXOSHLSEVGORP-XJKSGUPXSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1C#N)c1ccncc1 ZINC000043355539 175023117 /nfs/dbraw/zinc/02/31/17/175023117.db2.gz HNIUSQZEEXQTAV-HOCLYGCPSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1C#N)c1ccncc1 ZINC000043355538 175023169 /nfs/dbraw/zinc/02/31/69/175023169.db2.gz HNIUSQZEEXQTAV-GDBMZVCRSA-N 1 0 267.332 2.811 10 30 CFEERO C=CCNC(=O)COc1ccc(C[NH2+]CCC)cc1Cl ZINC000043479171 175055470 /nfs/dbraw/zinc/05/54/70/175055470.db2.gz LBHCYPQYTPASRY-UHFFFAOYSA-N 1 0 296.798 2.521 10 30 CFEERO CCC[NH2+]Cc1cccc(OCC)c1O[C@H](C)C#N ZINC000043513522 175061444 /nfs/dbraw/zinc/06/14/44/175061444.db2.gz UMFMXEQRBOUOGI-GFCCVEGCSA-N 1 0 262.353 2.876 10 30 CFEERO CC[NH2+]Cc1cc(Br)ccc1O[C@H](C)C#N ZINC000043513428 175061480 /nfs/dbraw/zinc/06/14/80/175061480.db2.gz AOIGWIGMRVPNFQ-SECBINFHSA-N 1 0 283.169 2.849 10 30 CFEERO C[C@H](N(C)C(=O)c1ccc(C#CC[NH3+])c(F)c1)C(C)(C)C ZINC000043583165 175070592 /nfs/dbraw/zinc/07/05/92/175070592.db2.gz LRDZETOCTFITMO-LBPRGKRZSA-N 1 0 290.382 2.643 10 30 CFEERO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000043588617 175073131 /nfs/dbraw/zinc/07/31/31/175073131.db2.gz VWSNRKGSPCVLKZ-ZFWWWQNUSA-N 1 0 285.391 2.515 10 30 CFEERO CN(C)c1cccc(OCc2ccc(C#CC[NH3+])s2)c1 ZINC000043685403 175094032 /nfs/dbraw/zinc/09/40/32/175094032.db2.gz QKFNTUUXWAFRNJ-UHFFFAOYSA-N 1 0 286.400 2.703 10 30 CFEERO COc1ccc(OCc2ccc(C#CC[NH3+])s2)cc1 ZINC000043684880 175094094 /nfs/dbraw/zinc/09/40/94/175094094.db2.gz CEZCWESIHQNICO-UHFFFAOYSA-N 1 0 273.357 2.646 10 30 CFEERO C[N@@H+]1CCCC[C@@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000044563229 175206376 /nfs/dbraw/zinc/20/63/76/175206376.db2.gz RQQVRVPBZIOQBN-OAHLLOKOSA-N 1 0 284.407 2.728 10 30 CFEERO CC1([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CCCCC1 ZINC000045045161 175296256 /nfs/dbraw/zinc/29/62/56/175296256.db2.gz CQXLYLOZFZNEDD-OAHLLOKOSA-N 1 0 258.365 2.904 10 30 CFEERO C[N@H+](Cc1ccccc1C#CCCO)CC(C)(C)C ZINC000045086791 175304319 /nfs/dbraw/zinc/30/43/19/175304319.db2.gz AHJJMSWRYPLYSL-UHFFFAOYSA-N 1 0 259.393 2.898 10 30 CFEERO CCCCC[N@H+](C)Cc1ccc(F)cc1/C(N)=N/O ZINC000071266801 176100621 /nfs/dbraw/zinc/10/06/21/176100621.db2.gz VNPYABICPOZFKS-UHFFFAOYSA-N 1 0 267.348 2.542 10 30 CFEERO COc1ccc2c(c1)[nH+]c(N)n2Cc1ccc(C#N)cc1 ZINC000075948322 176840774 /nfs/dbraw/zinc/84/07/74/176840774.db2.gz GIUDIZQHMJBILQ-UHFFFAOYSA-N 1 0 278.315 2.547 10 30 CFEERO C#CCCOc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000077465864 177271603 /nfs/dbraw/zinc/27/16/03/177271603.db2.gz YZOFDGZUCDXYQQ-SJLPKXTDSA-N 1 0 287.403 2.729 10 30 CFEERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC000329259906 227388813 /nfs/dbraw/zinc/38/88/13/227388813.db2.gz AKXUMOPXPFNJLK-ZIAGYGMSSA-N 1 0 286.379 2.545 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1NCC[C@H]1CC[NH2+]C1 ZINC000110798392 261468224 /nfs/dbraw/zinc/46/82/24/261468224.db2.gz MIQCVPZWAWWZCO-SNVBAGLBSA-N 1 0 283.297 2.989 10 30 CFEERO C#CCNC(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)=[NH+]CC ZINC000128887167 264308679 /nfs/dbraw/zinc/30/86/79/264308679.db2.gz ARBCDDUWUZGWGL-ZWNOBZJWSA-N 1 0 293.773 2.523 10 30 CFEERO Cc1cc(NCC[NH2+]C2CCCCCC2)cc(C#N)n1 ZINC000308235495 267347032 /nfs/dbraw/zinc/34/70/32/267347032.db2.gz CDPYSGMWJFGELX-UHFFFAOYSA-N 1 0 272.396 2.986 10 30 CFEERO C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C[C@H]1C[NH3+] ZINC000253192744 274304481 /nfs/dbraw/zinc/30/44/81/274304481.db2.gz NRTFGAWEIPBEGY-ZYHUDNBSSA-N 1 0 297.324 2.998 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CC[C@H]1[NH3+] ZINC000251862561 274362946 /nfs/dbraw/zinc/36/29/46/274362946.db2.gz SQEPBZLQVKQFHU-BXKDBHETSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1[NH+](C)C ZINC000127864847 274362963 /nfs/dbraw/zinc/36/29/63/274362963.db2.gz GHYDZDUGFMKMMJ-YGRLFVJLSA-N 1 0 297.324 2.963 10 30 CFEERO N#Cc1cc(N2CCC([NH3+])CC2)ccc1C(F)(F)F ZINC000164060761 274919901 /nfs/dbraw/zinc/91/99/01/274919901.db2.gz ZGRFHHFUWSHSGM-UHFFFAOYSA-N 1 0 269.270 2.505 10 30 CFEERO C=CCC[C@@H]([NH2+][C@@H]1CCCn2nc(C)nc21)C1CC1 ZINC000090224815 275743383 /nfs/dbraw/zinc/74/33/83/275743383.db2.gz WAFGQGHDXNEQAN-ZIAGYGMSSA-N 1 0 260.385 2.756 10 30 CFEERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000249615249 276369250 /nfs/dbraw/zinc/36/92/50/276369250.db2.gz XKIVVYRHVQOHDT-CZUORRHYSA-N 1 0 257.381 2.693 10 30 CFEERO CN(C)c1ccc2c(c1)O[C@@H]1CC(=[N+](C)C)CC[C@H]1C2 ZINC000503940412 276885486 /nfs/dbraw/zinc/88/54/86/276885486.db2.gz VNWOEODVWFGGPQ-SUMWQHHRSA-N 1 0 273.400 2.569 10 30 CFEERO C=C(C)CN(CC)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106431029 277771665 /nfs/dbraw/zinc/77/16/65/277771665.db2.gz PEZDJFLHONHVMD-MRXNPFEDSA-N 1 0 274.408 2.584 10 30 CFEERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000216224546 278890999 /nfs/dbraw/zinc/89/09/99/278890999.db2.gz JJPGLUROOURJPE-ZJUUUORDSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@@H]1CCCN(C(=[NH2+])N[C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000170911262 329072181 /nfs/dbraw/zinc/07/21/81/329072181.db2.gz PUJGBTXKRDFYTE-DFBGVHRSSA-N 1 0 275.371 2.728 10 30 CFEERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185820473 329329762 /nfs/dbraw/zinc/32/97/62/329329762.db2.gz NASVCNGCKHEXHE-SOUVJXGZSA-N 1 0 251.418 2.635 10 30 CFEERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248835580 329900382 /nfs/dbraw/zinc/90/03/82/329900382.db2.gz NASVCNGCKHEXHE-RBSFLKMASA-N 1 0 251.418 2.635 10 30 CFEERO C[NH+]=C(NCc1ncccc1C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261632174 329973790 /nfs/dbraw/zinc/97/37/90/329973790.db2.gz CNBMDGQPUBAUHK-GJZGRUSLSA-N 1 0 286.423 2.587 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261664648 329975668 /nfs/dbraw/zinc/97/56/68/329975668.db2.gz BFKGWYWEKSEJMU-MRVWCRGKSA-N 1 0 287.407 2.862 10 30 CFEERO C[NH+]=C(NCc1cnc(C)s1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261786220 329983471 /nfs/dbraw/zinc/98/34/71/329983471.db2.gz QLKOBTXOTDYRGU-STQMWFEESA-N 1 0 292.452 2.649 10 30 CFEERO [NH2+]=C(NCc1nccc2ccccc21)NC1CCCCC1 ZINC000262171305 330001302 /nfs/dbraw/zinc/00/13/02/330001302.db2.gz ATAVHCJSUKKUOA-UHFFFAOYSA-N 1 0 282.391 2.972 10 30 CFEERO C[C@H]1CCCN(C(=[NH2+])NCc2nccc3ccccc32)C1 ZINC000262311123 330005525 /nfs/dbraw/zinc/00/55/25/330005525.db2.gz PBMMHXCELPTBNB-ZDUSSCGKSA-N 1 0 282.391 2.781 10 30 CFEERO CC[C@H](C)NC(N[C@@H]1C[C@@]1(C)c1ccccc1OC)=[NH+]C ZINC000262359446 330010738 /nfs/dbraw/zinc/01/07/38/330010738.db2.gz GNTPUEPJUPZJPJ-MJEQTWJJSA-N 1 0 289.423 2.689 10 30 CFEERO CCN(CC)C(=[NH2+])NCc1nc(C(C)C)c(C)s1 ZINC000262531482 330019946 /nfs/dbraw/zinc/01/99/46/330019946.db2.gz NUGGDIJKPHSKIN-UHFFFAOYSA-N 1 0 268.430 2.731 10 30 CFEERO Cc1sc(C[NH+]=C(N(C)C)N(C)C)nc1C(C)C ZINC000262534315 330019981 /nfs/dbraw/zinc/01/99/81/330019981.db2.gz PBRRCHDLWCODEU-UHFFFAOYSA-N 1 0 268.430 2.554 10 30 CFEERO CC(C)NC(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262542878 330020403 /nfs/dbraw/zinc/02/04/03/330020403.db2.gz SYBCVZNQUQQGPW-GZMMTYOYSA-N 1 0 269.751 2.648 10 30 CFEERO CC(C)NC(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262542879 330020446 /nfs/dbraw/zinc/02/04/46/330020446.db2.gz SYBCVZNQUQQGPW-KCJUWKMLSA-N 1 0 269.751 2.648 10 30 CFEERO C[C@@H]1CCCN(C(=[NH2+])N[C@@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC000262548343 330020793 /nfs/dbraw/zinc/02/07/93/330020793.db2.gz WLMRYWWZDQBFQP-UHIISALHSA-N 1 0 293.361 2.867 10 30 CFEERO [NH2+]=C(NCc1ncoc1-c1ccccc1)NC1CCCC1 ZINC000262566935 330021474 /nfs/dbraw/zinc/02/14/74/330021474.db2.gz YEFPAYWUISDCLC-UHFFFAOYSA-N 1 0 284.363 2.689 10 30 CFEERO C[NH+]=C(NCc1ccc(C)s1)N[C@@H]1CC1(C)C ZINC000262756820 330029757 /nfs/dbraw/zinc/02/97/57/330029757.db2.gz KKPAMWXRUJZYKR-LLVKDONJSA-N 1 0 251.399 2.520 10 30 CFEERO CC(C)NC(=[NH2+])N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262792352 330031807 /nfs/dbraw/zinc/03/18/07/330031807.db2.gz KZUSWVFAELHDQY-MJHDQNEOSA-N 1 0 267.323 2.524 10 30 CFEERO CCc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1 ZINC000262829409 330034361 /nfs/dbraw/zinc/03/43/61/330034361.db2.gz RARAVIGNXPXDGL-RRFJBIMHSA-N 1 0 273.380 2.543 10 30 CFEERO CCc1ccc(NC(=[NH2+])N[C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000262828776 330034469 /nfs/dbraw/zinc/03/44/69/330034469.db2.gz RARAVIGNXPXDGL-KFWWJZLASA-N 1 0 273.380 2.543 10 30 CFEERO CN(C)C(=[NH+]C[C@@H]1C[C@H]1C1CCCCC1)N(C)C ZINC000263098762 330043453 /nfs/dbraw/zinc/04/34/53/330043453.db2.gz JRVZLCPFQBMXBZ-KBPBESRZSA-N 1 0 251.418 2.682 10 30 CFEERO C[NH+]=C(NCc1ccco1)N[C@@H]1CCC12CCCC2 ZINC000263232454 330049935 /nfs/dbraw/zinc/04/99/35/330049935.db2.gz COWMSYUBUIOAQS-CYBMUJFWSA-N 1 0 261.369 2.667 10 30 CFEERO C#CCOc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000045945696 330350139 /nfs/dbraw/zinc/35/01/39/330350139.db2.gz IQYRWBKILCSSKK-AWEZNQCLSA-N 1 0 279.767 2.621 10 30 CFEERO C[C@H](C#N)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000251074377 334355778 /nfs/dbraw/zinc/35/57/78/334355778.db2.gz GCZPHLIPVZLCOU-RDBSUJKOSA-N 1 0 295.427 2.771 10 30 CFEERO CC[C@@H](C)C(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061692013 521920173 /nfs/dbraw/zinc/92/01/73/521920173.db2.gz ONTDDNVSCKTTBI-SNVBAGLBSA-N 1 0 264.756 2.635 10 30 CFEERO C[NH2+]C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000164084452 522092466 /nfs/dbraw/zinc/09/24/66/522092466.db2.gz DRDUYZSEOUMNMD-SNVBAGLBSA-N 1 0 283.297 2.623 10 30 CFEERO C#CCOc1c(Cl)cc(C[NH2+]CC)cc1OCC ZINC000045944689 518317719 /nfs/dbraw/zinc/31/77/19/518317719.db2.gz WNYFLHNPGWQUGS-UHFFFAOYSA-N 1 0 267.756 2.860 10 30 CFEERO C#CCOc1ccccc1C[NH2+]C[C@@H](C)CSC ZINC000069434718 518333878 /nfs/dbraw/zinc/33/38/78/518333878.db2.gz AGQUSZOUJDSAKK-CYBMUJFWSA-N 1 0 263.406 2.787 10 30 CFEERO C=C(C)COc1c(C)cc(C[NH2+]CCOC)cc1C ZINC000062728669 518609399 /nfs/dbraw/zinc/60/93/99/518609399.db2.gz DATUYWFVAYZLSB-UHFFFAOYSA-N 1 0 263.381 2.994 10 30 CFEERO CC(C)(C)[NH2+]CCCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000050617886 518755828 /nfs/dbraw/zinc/75/58/28/518755828.db2.gz FRWPRGZVKJFVTR-UHFFFAOYSA-N 1 0 284.363 2.929 10 30 CFEERO C=CCN(CC=C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181535 518769278 /nfs/dbraw/zinc/76/92/78/518769278.db2.gz QMGKABHJOFDIOV-UHFFFAOYSA-N 1 0 280.456 2.845 10 30 CFEERO C=CCN(CC=C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052376516 518770611 /nfs/dbraw/zinc/77/06/11/518770611.db2.gz LPZXMCQTQLDLJX-UHFFFAOYSA-N 1 0 263.385 2.737 10 30 CFEERO CC(C)CCC[C@@H](C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049148581 519645210 /nfs/dbraw/zinc/64/52/10/519645210.db2.gz KCOOQEBAVNTEOX-OAHLLOKOSA-N 1 0 286.419 2.941 10 30 CFEERO CC(C)CCC[C@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000049148578 519647958 /nfs/dbraw/zinc/64/79/58/519647958.db2.gz CYWQARYZYUNUGQ-HNNXBMFYSA-N 1 0 286.419 2.941 10 30 CFEERO CC(C)C[C@@H](C)OCCOc1cccc(C#CC[NH3+])c1 ZINC000049610813 519774135 /nfs/dbraw/zinc/77/41/35/519774135.db2.gz QCSHCGIIBHJEGW-OAHLLOKOSA-N 1 0 275.392 2.827 10 30 CFEERO CC(C)[C@@H]([NH3+])CNc1ccc(Br)cc1C#N ZINC000165305263 519796510 /nfs/dbraw/zinc/79/65/10/519796510.db2.gz CXSRMTNAQHWRRC-NSHDSACASA-N 1 0 282.185 2.716 10 30 CFEERO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000049195633 519814752 /nfs/dbraw/zinc/81/47/52/519814752.db2.gz GTHQDPJLCYAHFQ-CJNGLKHVSA-N 1 0 259.397 2.795 10 30 CFEERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000049195627 519814819 /nfs/dbraw/zinc/81/48/19/519814819.db2.gz GTHQDPJLCYAHFQ-BBRMVZONSA-N 1 0 259.397 2.795 10 30 CFEERO CCC[NH2+][C@@H](C)c1nnc(-c2ccc(C#N)cc2)o1 ZINC000050619417 519990724 /nfs/dbraw/zinc/99/07/24/519990724.db2.gz QGJYBKWSAMHTGH-JTQLQIEISA-N 1 0 256.309 2.669 10 30 CFEERO CCCCSCCOc1cccc(C#CC[NH3+])c1 ZINC000049611526 520957257 /nfs/dbraw/zinc/95/72/57/520957257.db2.gz FGPMUYOCPHTSDW-UHFFFAOYSA-N 1 0 263.406 2.909 10 30 CFEERO CC1CC[NH+](Cc2ccc(C#CCCO)cc2F)CC1 ZINC000049615529 521022580 /nfs/dbraw/zinc/02/25/80/521022580.db2.gz MAWGMWIBBAKKDT-UHFFFAOYSA-N 1 0 275.367 2.792 10 30 CFEERO CC[N@H+](CC[C@@H](C#N)NC(C)C)C1CCCCC1 ZINC000062368342 521155589 /nfs/dbraw/zinc/15/55/89/521155589.db2.gz LLAQIROPXSHRHF-AWEZNQCLSA-N 1 0 251.418 2.921 10 30 CFEERO CC[N@@H+](Cc1ccc(C#CCCO)cc1)CC(C)C ZINC000049617241 521296940 /nfs/dbraw/zinc/29/69/40/521296940.db2.gz CPCWEQVAEUNSAT-UHFFFAOYSA-N 1 0 259.393 2.898 10 30 CFEERO CCC(C)(C)OCCOc1ccc(C#CC[NH3+])cc1 ZINC000049610948 521358479 /nfs/dbraw/zinc/35/84/79/521358479.db2.gz UTADIKROZMXVNC-UHFFFAOYSA-N 1 0 261.365 2.581 10 30 CFEERO C[NH2+]C[C@@H]1CCCN(c2ccc(C#N)cc2Cl)C1 ZINC000062791325 522047497 /nfs/dbraw/zinc/04/74/97/522047497.db2.gz SMARTFLYZFJTHB-LBPRGKRZSA-N 1 0 263.772 2.647 10 30 CFEERO C[NH2+]C[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1C#N ZINC000156661375 522054241 /nfs/dbraw/zinc/05/42/41/522054241.db2.gz UMWZSFIABWIRDY-LBPRGKRZSA-N 1 0 283.297 2.765 10 30 CFEERO CC[C@@H](NC(=O)c1ccc(C#CC[NH3+])s1)c1ccccc1 ZINC000051629976 522780691 /nfs/dbraw/zinc/78/06/91/522780691.db2.gz XIWFKTHORYDBNV-OAHLLOKOSA-N 1 0 298.411 2.939 10 30 CFEERO C[N@H+](CCOc1ccc(C#CCCO)cc1)C1CCCC1 ZINC000049617523 522905723 /nfs/dbraw/zinc/90/57/23/522905723.db2.gz UZDJOWNTTUQIDQ-UHFFFAOYSA-N 1 0 287.403 2.674 10 30 CFEERO CN(Cc1ccc(F)c(C#CC[NH3+])c1)c1ccc(F)cc1 ZINC000049965523 523239397 /nfs/dbraw/zinc/23/93/97/523239397.db2.gz HOXADNANSVAALJ-UHFFFAOYSA-N 1 0 286.325 2.911 10 30 CFEERO C[N@H+](Cc1ccccc1C#CCCO)C1CCCC1 ZINC000049617525 523357384 /nfs/dbraw/zinc/35/73/84/523357384.db2.gz QFUGUNGNHHUOBC-UHFFFAOYSA-N 1 0 257.377 2.795 10 30 CFEERO C[N@H+](Cc1cccs1)Cc1ccccc1C#CCO ZINC000049618126 523448984 /nfs/dbraw/zinc/44/89/84/523448984.db2.gz LRVCFMCTRUNXMF-UHFFFAOYSA-N 1 0 271.385 2.724 10 30 CFEERO C[N@H+](Cc1ccsc1)Cc1cccc(C#CCO)c1 ZINC000049618164 523484319 /nfs/dbraw/zinc/48/43/19/523484319.db2.gz RUTHAQOYCSUAEP-UHFFFAOYSA-N 1 0 271.385 2.724 10 30 CFEERO COc1ccc(C#CCCO)cc1C[NH+]1CCC(C)CC1 ZINC000049615525 523509975 /nfs/dbraw/zinc/50/99/75/523509975.db2.gz OWUXSAJILJCXCO-UHFFFAOYSA-N 1 0 287.403 2.661 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1COc1ccccc1C ZINC000049610506 523517239 /nfs/dbraw/zinc/51/72/39/523517239.db2.gz ZMZOAUFMLDQVRU-UHFFFAOYSA-N 1 0 281.355 2.893 10 30 CFEERO CCc1c(C)nn(Cc2ccc(F)c(C#CC[NH3+])c2)c1C ZINC000049610261 523717087 /nfs/dbraw/zinc/71/70/87/523717087.db2.gz ZGSASEBBLOTFFI-UHFFFAOYSA-N 1 0 285.366 2.560 10 30 CFEERO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC#N ZINC000062733036 523948726 /nfs/dbraw/zinc/94/87/26/523948726.db2.gz ZQUQLIKWMIDEJK-UHFFFAOYSA-N 1 0 289.162 2.632 10 30 CFEERO COc1ccc(C[N@H+](C)[C@@H](C)C(C)C)cc1C#CCO ZINC000049618587 524010234 /nfs/dbraw/zinc/01/02/34/524010234.db2.gz NIBLNMAAUWMCJE-AWEZNQCLSA-N 1 0 275.392 2.515 10 30 CFEERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#CCCO)cc1F ZINC000049615708 524114057 /nfs/dbraw/zinc/11/40/57/524114057.db2.gz FFHLYMVIGUGEAG-CQSZACIVSA-N 1 0 275.367 2.934 10 30 CFEERO C[C@H](CCC[NH3+])Nc1cc(C#N)c2ccccc2n1 ZINC000311440699 524139285 /nfs/dbraw/zinc/13/92/85/524139285.db2.gz PHEYQQARMYZURP-LLVKDONJSA-N 1 0 254.337 2.646 10 30 CFEERO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(F)c(C#CCO)c1 ZINC000049616927 524190769 /nfs/dbraw/zinc/19/07/69/524190769.db2.gz KJOSGJDKZUKWPY-KBPBESRZSA-N 1 0 275.367 2.932 10 30 CFEERO C[C@H]1CCC[C@H](OCCOc2cccc(C#CC[NH3+])c2)C1 ZINC000049610995 524210227 /nfs/dbraw/zinc/21/02/27/524210227.db2.gz VHSYVQPLYRLZDG-RDJZCZTQSA-N 1 0 287.403 2.971 10 30 CFEERO C[C@H](C[NH+]1CCCC1)N[C@H](CC#N)c1ccccc1 ZINC000055017980 524318317 /nfs/dbraw/zinc/31/83/17/524318317.db2.gz SHTGIPVEMRLSHK-GDBMZVCRSA-N 1 0 257.381 2.715 10 30 CFEERO C[C@H](CN1CCCC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000049151374 524319557 /nfs/dbraw/zinc/31/95/57/524319557.db2.gz GNJTUJIOCZMSMK-KGLIPLIRSA-N 1 0 257.381 2.693 10 30 CFEERO C[C@@H](C1CC1)[N@H+](C)CCOc1ccc(C#CCCO)cc1 ZINC000049618468 524319632 /nfs/dbraw/zinc/31/96/32/524319632.db2.gz PUFSEUGNSCJHEA-HNNXBMFYSA-N 1 0 287.403 2.530 10 30 CFEERO C[C@H](NC(=O)CC(C)(C)C)c1ccc(C#CC[NH3+])cc1 ZINC000049586779 524919291 /nfs/dbraw/zinc/91/92/91/524919291.db2.gz OGLXEOLUHGGPRS-ZDUSSCGKSA-N 1 0 272.392 2.610 10 30 CFEERO C[C@H](NC(=O)CC[C@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000050944186 524936768 /nfs/dbraw/zinc/93/67/68/524936768.db2.gz XYGPIMLHWJOSSF-XJKSGUPXSA-N 1 0 285.391 2.658 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1F ZINC000083704495 525080396 /nfs/dbraw/zinc/08/03/96/525080396.db2.gz SODRMZKPCMAXTP-CZUORRHYSA-N 1 0 287.382 2.756 10 30 CFEERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(F)cc2C#CCO)C1 ZINC000049616660 525210650 /nfs/dbraw/zinc/21/06/50/525210650.db2.gz GGMOBCRITVAJIP-ZIAGYGMSSA-N 1 0 275.367 2.647 10 30 CFEERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C#CCO)cc2F)C1 ZINC000049616647 525384935 /nfs/dbraw/zinc/38/49/35/525384935.db2.gz MTNISZMNIZRUEF-OKILXGFUSA-N 1 0 275.367 2.647 10 30 CFEERO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc(C(F)(F)F)cc1C#N ZINC000216234379 525409257 /nfs/dbraw/zinc/40/92/57/525409257.db2.gz CEWHAMWSMDJPOE-NXEZZACHSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000216224456 525409484 /nfs/dbraw/zinc/40/94/84/525409484.db2.gz JJPGLUROOURJPE-NXEZZACHSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(F)cc1C#CCO ZINC000050566734 525642751 /nfs/dbraw/zinc/64/27/51/525642751.db2.gz GSBCAFSKLWTVEA-UONOGXRCSA-N 1 0 275.367 2.790 10 30 CFEERO Cc1ccc([C@H](C)NC(=O)c2cccc(C#CC[NH3+])c2)s1 ZINC000049189293 525912716 /nfs/dbraw/zinc/91/27/16/525912716.db2.gz RLMWEWYHYRQDGK-ZDUSSCGKSA-N 1 0 298.411 2.858 10 30 CFEERO Cc1ccc2c(c1)[nH+]c(N)n2Cc1ccc(C#N)cc1 ZINC000051354679 526220144 /nfs/dbraw/zinc/22/01/44/526220144.db2.gz PQDIWLYGCACDNU-UHFFFAOYSA-N 1 0 262.316 2.847 10 30 CFEERO N#Cc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000054306746 526566890 /nfs/dbraw/zinc/56/68/90/526566890.db2.gz RUUBHNQQNQDWFE-SNVBAGLBSA-N 1 0 277.755 2.540 10 30 CFEERO N#Cc1cc(NC[C@H]2CCC[NH2+]C2)ccc1C(F)(F)F ZINC000164071582 526572698 /nfs/dbraw/zinc/57/26/98/526572698.db2.gz NWEFBGNCFGTILR-JTQLQIEISA-N 1 0 283.297 2.989 10 30 CFEERO N#Cc1ccccc1OCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507079 526747197 /nfs/dbraw/zinc/74/71/97/526747197.db2.gz TUFVXTLNTWSPLF-UHFFFAOYSA-N 1 0 296.374 2.540 10 30 CFEERO N#Cc1ccnc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000061702218 526762423 /nfs/dbraw/zinc/76/24/23/526762423.db2.gz DEEZXKIHJDYECL-INIZCTEOSA-N 1 0 279.343 2.607 10 30 CFEERO N#Cc1ccnc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000061702219 526762764 /nfs/dbraw/zinc/76/27/64/526762764.db2.gz DEEZXKIHJDYECL-MRXNPFEDSA-N 1 0 279.343 2.607 10 30 CFEERO [NH3+]CC#Cc1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000049586270 527149915 /nfs/dbraw/zinc/14/99/15/527149915.db2.gz JETIBZPHFWWQIY-UHFFFAOYSA-N 1 0 298.773 2.580 10 30 CFEERO [NH3+]CC#Cc1ccccc1CN1CCCc2ccccc21 ZINC000049608698 527153703 /nfs/dbraw/zinc/15/37/03/527153703.db2.gz FOSCHZZWHNWHHZ-UHFFFAOYSA-N 1 0 276.383 2.950 10 30 CFEERO [NH3+]CC#Cc1ccccc1CN1Cc2ccccc2C1 ZINC000050911913 527153966 /nfs/dbraw/zinc/15/39/66/527153966.db2.gz CAJUDERIEDHLHI-UHFFFAOYSA-N 1 0 262.356 2.513 10 30 CFEERO C[NH2+][C@H]1CCCN(c2ccc(Br)cc2C#N)C1 ZINC000229247818 536415451 /nfs/dbraw/zinc/41/54/51/536415451.db2.gz DYDOHXMZNOKVMX-LBPRGKRZSA-N 1 0 294.196 2.509 10 30 CFEERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(C#CCO)cs1 ZINC000043698503 570261656 /nfs/dbraw/zinc/26/16/56/570261656.db2.gz XTKMFHVYOLBZLZ-CHWSQXEVSA-N 1 0 263.406 2.855 10 30 CFEERO C[C@@H](Nc1nc2c(cc1C#N)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000050164314 618082752 /nfs/dbraw/zinc/08/27/52/618082752.db2.gz TZTXADRUZBIVAA-OCCSQVGLSA-N 1 0 284.407 2.632 10 30 CFEERO CCCCCCCCC[NH2+]CC1(O)CCOCC1 ZINC000162334075 618260045 /nfs/dbraw/zinc/26/00/45/618260045.db2.gz CZJDVWIQJDQFOQ-UHFFFAOYSA-N 1 0 257.418 2.868 10 30 CFEERO N#Cc1ccc(NCC2([NH3+])CCCCC2)c([N+](=O)[O-])c1 ZINC000261767804 618423251 /nfs/dbraw/zinc/42/32/51/618423251.db2.gz OJZNFQIRZNYCGJ-UHFFFAOYSA-N 1 0 274.324 2.540 10 30 CFEERO CC(C)([NH3+])CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000129672526 619648695 /nfs/dbraw/zinc/64/86/95/619648695.db2.gz RCYDZEKDVOLYEO-UHFFFAOYSA-N 1 0 257.259 2.726 10 30 CFEERO C[C@@H]([NH3+])[C@H]1CCCN(c2nc3ccccc3cc2C#N)C1 ZINC000071386201 625510816 /nfs/dbraw/zinc/51/08/16/625510816.db2.gz DGQFIMCXHNTXKI-OCCSQVGLSA-N 1 0 280.375 2.670 10 30 CFEERO C=CC[n+]1ccc(NC=C(C#N)C#N)c2ccccc21 ZINC000057054366 622995299 /nfs/dbraw/zinc/99/52/99/622995299.db2.gz BKTRLKZUZALVQY-UHFFFAOYSA-N 1 0 260.300 2.637 10 30 CFEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(Br)cc1C#N ZINC000229256334 623193911 /nfs/dbraw/zinc/19/39/11/623193911.db2.gz FZCGDZJHZFSGKF-SKDRFNHKSA-N 1 0 294.196 2.873 10 30 CFEERO C[NH2+]C[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000061846965 623237924 /nfs/dbraw/zinc/23/79/24/623237924.db2.gz ZKJYBHFZVLOVQF-NSHDSACASA-N 1 0 263.772 2.647 10 30 CFEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1nc2ccccc2cc1C#N ZINC000229611977 626411043 /nfs/dbraw/zinc/41/10/43/626411043.db2.gz FTKKBKRCGDEHCS-SMDDNHRTSA-N 1 0 266.348 2.659 10 30 CFEERO CCCCCCCCCC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194619363 636795418 /nfs/dbraw/zinc/79/54/18/636795418.db2.gz VZOLXXUCSXCIJX-OAHLLOKOSA-N 1 0 284.444 2.574 10 30 CFEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000119191187 637523197 /nfs/dbraw/zinc/52/31/97/637523197.db2.gz KNEOOLABZPIVQQ-GJZGRUSLSA-N 1 0 286.419 2.674 10 30 CFEERO CC[NH+]=C(NCC(C)(C)c1cccs1)N[C@@H]1C[C@@H]1C ZINC000080835572 650711119 /nfs/dbraw/zinc/71/11/19/650711119.db2.gz ZIFCQCPARYOLGL-NWDGAFQWSA-N 1 0 279.453 2.989 10 30 CFEERO C#CCNC(NCC1CCC(C(F)(F)F)CC1)=[NH+]CC ZINC000081689750 650724717 /nfs/dbraw/zinc/72/47/17/650724717.db2.gz CBAMBCUJLLAGCO-UHFFFAOYSA-N 1 0 289.345 2.543 10 30 CFEERO C#CCOc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000245803056 650836965 /nfs/dbraw/zinc/83/69/65/650836965.db2.gz YASQPCUVFCULFR-PKOBYXMFSA-N 1 0 299.414 2.826 10 30 CFEERO CCCCCCCC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246584094 650874974 /nfs/dbraw/zinc/87/49/74/650874974.db2.gz WGVIMIUSFYOTFG-IRXDYDNUSA-N 1 0 282.472 2.999 10 30 CFEERO CCCCCCCCCC(=O)NCC1CC([NH3+])C1 ZINC000091525580 650902145 /nfs/dbraw/zinc/90/21/45/650902145.db2.gz AFRSVPURTKDGGO-UHFFFAOYSA-N 1 0 254.418 2.981 10 30 CFEERO C=C(Br)CN1C[C@H]2CCCC[N@H+]2C[C@H]1CC ZINC000129817456 645409855 /nfs/dbraw/zinc/40/98/55/645409855.db2.gz FXHKPWIJJJMFLM-CHWSQXEVSA-N 1 0 287.245 2.844 10 30 CFEERO C=C(Br)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1CC ZINC000253182442 651039056 /nfs/dbraw/zinc/03/90/56/651039056.db2.gz FXHKPWIJJJMFLM-OLZOCXBDSA-N 1 0 287.245 2.844 10 30 CFEERO C[N+](C)(CC(=O)Nc1ccccc1)CC(=O)c1ccccc1 ZINC000002032700 717093629 /nfs/dbraw/zinc/09/36/29/717093629.db2.gz AWLMXBOCRPLJTL-UHFFFAOYSA-O 1 0 297.378 2.584 10 30 CFEERO N#Cc1cc(Cl)nc(N2CC[NH+](C3CCCC3)CC2)c1 ZINC000122764699 721851835 /nfs/dbraw/zinc/85/18/35/721851835.db2.gz IXYOVCHXAFOLKE-UHFFFAOYSA-N 1 0 290.798 2.671 10 30 CFEERO C=CCCSCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000595061261 349571171 /nfs/dbraw/zinc/57/11/71/349571171.db2.gz ZMRAIRCWKOOUJY-XQQFMLRXSA-N 1 0 255.427 2.699 10 30 CFEERO COc1ccc(OCC[NH2+][C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000595697748 349707854 /nfs/dbraw/zinc/70/78/54/349707854.db2.gz JWUMNHBXIVEYEX-CZUORRHYSA-N 1 0 274.364 2.746 10 30 CFEERO [NH3+]CCCON=C(c1ccccc1)c1ccccc1 ZINC000034459100 346317520 /nfs/dbraw/zinc/31/75/20/346317520.db2.gz HQBVHEPQPUXKGY-UHFFFAOYSA-N 1 0 254.333 2.804 10 30 CFEERO CC(C)NC(=[NH2+])Cc1ccc(Br)cc1 ZINC000059924586 346658808 /nfs/dbraw/zinc/65/88/08/346658808.db2.gz IDEFCVTWMDJXOJ-UHFFFAOYSA-N 1 0 255.159 2.757 10 30 CFEERO CC#CC[NH2+]Cc1ccc(Br)cc1C ZINC000127122388 347839719 /nfs/dbraw/zinc/83/97/19/347839719.db2.gz HAKPGENTXQCUJJ-UHFFFAOYSA-N 1 0 252.155 2.870 10 30 CFEERO CCc1ccc([C@@H](C)[NH2+]CC(=O)N(CC)CCC#N)cc1 ZINC000154933914 347983614 /nfs/dbraw/zinc/98/36/14/347983614.db2.gz YZUQMXYYTPPUER-CQSZACIVSA-N 1 0 287.407 2.662 10 30 CFEERO C=C(Br)COc1ccc(C[C@@H]([NH3+])CC)nc1 ZINC000086795630 179335650 /nfs/dbraw/zinc/33/56/50/179335650.db2.gz BYFPYUVRODTDPD-JTQLQIEISA-N 1 0 285.185 2.649 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(C#N)cc1C ZINC000165494346 348039621 /nfs/dbraw/zinc/03/96/21/348039621.db2.gz SYHBRSZZIXHSBA-KRWDZBQOSA-N 1 0 271.408 2.783 10 30 CFEERO Cc1cc(C#N)ccc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000165495938 348039633 /nfs/dbraw/zinc/03/96/33/348039633.db2.gz SZXLMMCHBRMRRD-YOEHRIQHSA-N 1 0 269.392 2.535 10 30 CFEERO Cc1cc(C#N)ccc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000165496081 348040068 /nfs/dbraw/zinc/04/00/68/348040068.db2.gz SZXLMMCHBRMRRD-WMLDXEAASA-N 1 0 269.392 2.535 10 30 CFEERO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000188543083 348132748 /nfs/dbraw/zinc/13/27/48/348132748.db2.gz GNOTWUMYXQGCPX-GDBMZVCRSA-N 1 0 266.429 2.825 10 30 CFEERO CCC[N@@H+]1CCC[C@@](C#N)(NCc2cccs2)CC1 ZINC000086849229 179358252 /nfs/dbraw/zinc/35/82/52/179358252.db2.gz SAEHPZQZOUSPNY-OAHLLOKOSA-N 1 0 277.437 2.996 10 30 CFEERO CC[N@@H+]1CCC[C@](C#N)(Nc2cccc(OC)c2)CC1 ZINC000086849131 179358368 /nfs/dbraw/zinc/35/83/68/179358368.db2.gz QOUJOFYTVYEZGY-INIZCTEOSA-N 1 0 273.380 2.875 10 30 CFEERO N#Cc1ccc(NC(=[NH2+])NCc2ccccc2)cc1F ZINC000307095849 348395915 /nfs/dbraw/zinc/39/59/15/348395915.db2.gz HCSSAMULPIJLMD-UHFFFAOYSA-N 1 0 268.295 2.834 10 30 CFEERO C[NH2+]CC#Cc1c(Cl)cccc1Br ZINC000307553502 348400114 /nfs/dbraw/zinc/40/01/14/348400114.db2.gz RGORAGZCPCHQNG-UHFFFAOYSA-N 1 0 258.546 2.673 10 30 CFEERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(C#N)cc1Br ZINC000320856590 348437731 /nfs/dbraw/zinc/43/77/31/348437731.db2.gz MPXZZOVLLAZBOC-IUCAKERBSA-N 1 0 282.185 2.858 10 30 CFEERO C[C@@H]1C[C@@H](C=O)C[C@H](C)[N@H+]1CCOc1ccccc1 ZINC000584883067 348726463 /nfs/dbraw/zinc/72/64/63/348726463.db2.gz GEETVWRSCUSPFZ-QDMKHBRRSA-N 1 0 261.365 2.753 10 30 CFEERO COc1ccccc1OCC[NH2+]CCCCCC#N ZINC000584604777 348686937 /nfs/dbraw/zinc/68/69/37/348686937.db2.gz BFRPQQYIZMIYTA-UHFFFAOYSA-N 1 0 262.353 2.748 10 30 CFEERO C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594428334 349418987 /nfs/dbraw/zinc/41/89/87/349418987.db2.gz YECPYVPNKXSZDZ-RISCZKNCSA-N 1 0 293.798 2.928 10 30 CFEERO N#Cc1ccc(-c2cc[nH+]c(NN)c2Br)cc1 ZINC000090613228 180013163 /nfs/dbraw/zinc/01/31/63/180013163.db2.gz VVCOXLMAWOOFAO-UHFFFAOYSA-N 1 0 289.136 2.668 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1snc(Cl)c1C#N ZINC000271322591 191073011 /nfs/dbraw/zinc/07/30/11/191073011.db2.gz KNPSKYQGIYVELA-NXEZZACHSA-N 1 0 296.827 2.731 10 30 CFEERO CC(C)C[C@H](C[NH3+])Nc1ccc(C#N)c(Cl)c1 ZINC000111830535 186461079 /nfs/dbraw/zinc/46/10/79/186461079.db2.gz SOWSIKFSIDBQIV-GFCCVEGCSA-N 1 0 251.761 2.997 10 30 CFEERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(C#N)cs3)C2)c1 ZINC000123092942 187071144 /nfs/dbraw/zinc/07/11/44/187071144.db2.gz MXRUEAAVRBTSLC-CQSZACIVSA-N 1 0 286.404 2.962 10 30 CFEERO N#Cc1cccc([C@H]2C[NH2+]CCN2Cc2ccccc2)c1 ZINC000616637838 352395647 /nfs/dbraw/zinc/39/56/47/352395647.db2.gz ZIUNVTQFSDWZIX-GOSISDBHSA-N 1 0 277.371 2.705 10 30 CFEERO N#Cc1cccc([C@H]2Cc3ccccc3N(CC[NH3+])C2)c1 ZINC000616673341 352407771 /nfs/dbraw/zinc/40/77/71/352407771.db2.gz XIGVPEJFKKUCIK-KRWDZBQOSA-N 1 0 277.371 2.663 10 30 CFEERO N#Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1C(F)(F)F ZINC000261610781 283106460 /nfs/dbraw/zinc/10/64/60/283106460.db2.gz DUYVGVWTLITSGT-YGRLFVJLSA-N 1 0 295.308 2.765 10 30 CFEERO N#Cc1cccc(C[N@H+]2CCc3c(N)cccc3C2)c1 ZINC000038032637 283205994 /nfs/dbraw/zinc/20/59/94/283205994.db2.gz FNNOVVXXHKKDIP-UHFFFAOYSA-N 1 0 263.344 2.699 10 30 CFEERO C[NH+](C)C[C@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 ZINC000176890608 189013101 /nfs/dbraw/zinc/01/31/01/189013101.db2.gz GYUZLZVCRUHTJF-AWEZNQCLSA-N 1 0 299.399 2.652 10 30 CFEERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000178283881 189103293 /nfs/dbraw/zinc/10/32/93/189103293.db2.gz MUKRTZSJPUSIMA-QGZVFWFLSA-N 1 0 280.375 2.728 10 30 CFEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000037978084 372745407 /nfs/dbraw/zinc/74/54/07/372745407.db2.gz GDXXGUUOHNSLPH-OLZOCXBDSA-N 1 0 260.381 2.590 10 30 CFEERO C#CCOc1c(C[NH2+]CCCC)cccc1OCC ZINC000045945592 373039452 /nfs/dbraw/zinc/03/94/52/373039452.db2.gz ZNENDGDSBGCMOE-UHFFFAOYSA-N 1 0 261.365 2.987 10 30 CFEERO C[C@H](Nc1c(C#N)cnc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000050164080 373360198 /nfs/dbraw/zinc/36/01/98/373360198.db2.gz RPGYDVKIAJCNSE-STQMWFEESA-N 1 0 280.375 2.906 10 30 CFEERO C=CC[N@@H+](CCc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000068522527 374032099 /nfs/dbraw/zinc/03/20/99/374032099.db2.gz MHXUCKZPKJBTNT-QGZVFWFLSA-N 1 0 291.435 2.893 10 30 CFEERO C=CCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000089161446 374879801 /nfs/dbraw/zinc/87/98/01/374879801.db2.gz KZSGQZFBXJIBBQ-GDBMZVCRSA-N 1 0 261.365 2.502 10 30 CFEERO COc1ccc(COCCCC[NH2+]CCS)cc1 ZINC000096328050 375485491 /nfs/dbraw/zinc/48/54/91/375485491.db2.gz LHAMBERXXMEDSQ-UHFFFAOYSA-N 1 0 269.410 2.511 10 30 CFEERO N#Cc1ccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)s1 ZINC000128259840 377327839 /nfs/dbraw/zinc/32/78/39/377327839.db2.gz WZGLMXUDJUNJRG-CYBMUJFWSA-N 1 0 298.415 2.949 10 30 CFEERO C[C@]1(CNc2c(F)cc(C#N)cc2F)CCC[NH2+]C1 ZINC000129294634 377409778 /nfs/dbraw/zinc/40/97/78/377409778.db2.gz PZRXBIGWTOIRPV-AWEZNQCLSA-N 1 0 265.307 2.638 10 30 CFEERO N#Cc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)s1 ZINC000129363285 377417989 /nfs/dbraw/zinc/41/79/89/377417989.db2.gz QRPYJKSECWBZKG-IUODEOHRSA-N 1 0 276.405 2.747 10 30 CFEERO N#Cc1ccc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000132894689 377884493 /nfs/dbraw/zinc/88/44/93/377884493.db2.gz YOUUDFGSJGAZJR-QZTJIDSGSA-N 1 0 299.418 2.738 10 30 CFEERO N#Cc1ccc(Cl)cc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132471310 377844678 /nfs/dbraw/zinc/84/46/78/377844678.db2.gz SWEZCBBDLZMEGF-OLZOCXBDSA-N 1 0 261.756 2.542 10 30 CFEERO COc1ccccc1[C@@H](C)[NH2+]Cc1ccnc(C#N)c1 ZINC000149276644 378262758 /nfs/dbraw/zinc/26/27/58/378262758.db2.gz NUXGTHSPFHLRBM-GFCCVEGCSA-N 1 0 267.332 2.813 10 30 CFEERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000151854337 378365091 /nfs/dbraw/zinc/36/50/91/378365091.db2.gz VAEJHUZYEVNADB-KEYYUXOJSA-N 1 0 271.408 2.938 10 30 CFEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC#Cc1cccc(Cl)c1 ZINC000154749821 378593348 /nfs/dbraw/zinc/59/33/48/378593348.db2.gz KJGNSEJVQZQPNQ-WMLDXEAASA-N 1 0 288.822 2.860 10 30 CFEERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1C#N ZINC000350458538 382012560 /nfs/dbraw/zinc/01/25/60/382012560.db2.gz JZNDBQIAOGUQDD-BGTYHANMSA-N 1 0 283.419 2.789 10 30 CFEERO N#Cc1cc(Cl)ccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000187264092 382142570 /nfs/dbraw/zinc/14/25/70/382142570.db2.gz XRMAYMDFUSDAKY-MRXNPFEDSA-N 1 0 289.810 2.882 10 30 CFEERO Cc1nc([C@H](C)[NH2+]CCCSCC#N)cs1 ZINC000309412171 382488676 /nfs/dbraw/zinc/48/86/76/382488676.db2.gz ISNFKKVLBKZRMX-VIFPVBQESA-N 1 0 255.412 2.749 10 30 CFEERO C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000310953938 382500616 /nfs/dbraw/zinc/50/06/16/382500616.db2.gz ZYFHHOHQFLCGIZ-QMTHXVAHSA-N 1 0 263.772 2.633 10 30 CFEERO C[C@H]([NH3+])C[C@H](C)Nc1c(C#N)cnc2ccccc21 ZINC000320709051 382538796 /nfs/dbraw/zinc/53/87/96/382538796.db2.gz UAIPSEPUELKPNF-QWRGUYRKSA-N 1 0 254.337 2.644 10 30 CFEERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(Br)cc1C#N ZINC000320828343 382538814 /nfs/dbraw/zinc/53/88/14/382538814.db2.gz JWDKTBLEQJGOGS-IUCAKERBSA-N 1 0 282.185 2.858 10 30 CFEERO N#Cc1ccc(N[C@H](CC[NH3+])C(F)F)cc1Cl ZINC000383496194 382544432 /nfs/dbraw/zinc/54/44/32/382544432.db2.gz YFBPBOFFZKNVKB-SNVBAGLBSA-N 1 0 259.687 2.606 10 30 CFEERO C=CCC[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000189111479 382546550 /nfs/dbraw/zinc/54/65/50/382546550.db2.gz PURJBRWZYWVKMF-SJORKVTESA-N 1 0 286.419 2.899 10 30 CFEERO C=CCC[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000189111497 382546657 /nfs/dbraw/zinc/54/66/57/382546657.db2.gz PURJBRWZYWVKMF-IRXDYDNUSA-N 1 0 286.419 2.899 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC#Cc1ccccc1 ZINC000192119084 382704911 /nfs/dbraw/zinc/70/49/11/382704911.db2.gz LKIVZOXGJHLOGF-ZWKOTPCHSA-N 1 0 268.404 2.597 10 30 CFEERO N#Cc1ccnc(N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000336836851 382729916 /nfs/dbraw/zinc/72/99/16/382729916.db2.gz LHQKVZZUGVYJPX-OAHLLOKOSA-N 1 0 266.348 2.845 10 30 CFEERO CCCCCCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195328277 382766590 /nfs/dbraw/zinc/76/65/90/382766590.db2.gz NRCHLZKLNFLRCE-CQSZACIVSA-N 1 0 252.402 2.654 10 30 CFEERO N#Cc1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)ccc1F ZINC000248155082 383215286 /nfs/dbraw/zinc/21/52/86/383215286.db2.gz RFYCQTKETYNBGH-DOTOQJQBSA-N 1 0 288.366 2.824 10 30 CFEERO C=CCCCCC[N@@H+]1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000248732917 383285407 /nfs/dbraw/zinc/28/54/07/383285407.db2.gz MGXBJYLUYRKRAT-JKSUJKDBSA-N 1 0 268.445 2.510 10 30 CFEERO C=CCCC(C)(C)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000638873473 385005651 /nfs/dbraw/zinc/00/56/51/385005651.db2.gz AHLQZQNSSRIELL-STQMWFEESA-N 1 0 252.402 2.613 10 30 CFEERO C[C@H]1CC(C[NH2+]Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000282299621 385277909 /nfs/dbraw/zinc/27/79/09/385277909.db2.gz RRTHGSOCCWIZNO-STQMWFEESA-N 1 0 258.365 2.851 10 30 CFEERO C=C(C)CN(C)c1cc(N2CCC[C@H](C)C2)ncn1 ZINC000302076970 393488157 /nfs/dbraw/zinc/48/81/57/393488157.db2.gz YMTLBZNJCSNSAE-ZDUSSCGKSA-N 1 0 260.385 2.725 10 30 CFEERO C[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)[C@H]1C[NH3+] ZINC000252205466 393934403 /nfs/dbraw/zinc/93/44/03/393934403.db2.gz VAOMYBPRYKKBCM-HZMBPMFUSA-N 1 0 263.772 2.775 10 30 CFEERO Cc1nc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(Cl)cc1C#N ZINC000292811847 394277319 /nfs/dbraw/zinc/27/73/19/394277319.db2.gz ZDWJDCNYSUHRDV-MFKMUULPSA-N 1 0 290.798 2.588 10 30 CFEERO C[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)C[C@@H]1C[NH3+] ZINC000164014936 394369349 /nfs/dbraw/zinc/36/93/49/394369349.db2.gz MHUJJTMYWSBVGV-OCCSQVGLSA-N 1 0 280.375 2.528 10 30 CFEERO CCc1nccn1[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000173888058 394376931 /nfs/dbraw/zinc/37/69/31/394376931.db2.gz MQIGAJUHKRPVPG-AWEZNQCLSA-N 1 0 292.452 2.729 10 30 CFEERO C=CCC1([NH2+]C[C@@H](O)COC(C)(C)C)CCCC1 ZINC000661850972 414259330 /nfs/dbraw/zinc/25/93/30/414259330.db2.gz MCZBSGNCVVISCF-CYBMUJFWSA-N 1 0 255.402 2.641 10 30 CFEERO C=CCSc1ccccc1NC(=O)C1CC[NH2+]CC1 ZINC000037764415 173691317 /nfs/dbraw/zinc/69/13/17/173691317.db2.gz MHPHAUZZHKHLLK-UHFFFAOYSA-N 1 0 276.405 2.903 10 30 CFEERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000038097548 174111251 /nfs/dbraw/zinc/11/12/51/174111251.db2.gz SODNCYPZDUXABT-SWLSCSKDSA-N 1 0 270.332 2.844 10 30 CFEERO CC(C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000040414389 174255668 /nfs/dbraw/zinc/25/56/68/174255668.db2.gz FMSUAGNMPBVIDN-UHFFFAOYSA-N 1 0 291.420 2.825 10 30 CFEERO N#Cc1c(NC(=O)C[NH2+]C2CC2)sc2c1CCCCC2 ZINC000040415425 174255729 /nfs/dbraw/zinc/25/57/29/174255729.db2.gz ZTVKALCQSYQGSR-UHFFFAOYSA-N 1 0 289.404 2.579 10 30 CFEERO C[C@@H]1CCC[C@@](CNc2cc(C#N)ccn2)([NH+](C)C)C1 ZINC000040670206 174368357 /nfs/dbraw/zinc/36/83/57/174368357.db2.gz HCBYJXGQHXZKOE-CZUORRHYSA-N 1 0 272.396 2.876 10 30 CFEERO C[C@@H]1CCC[C@](CNc2cc(C#N)ccn2)([NH+](C)C)C1 ZINC000040670212 174368551 /nfs/dbraw/zinc/36/85/51/174368551.db2.gz HCBYJXGQHXZKOE-CJNGLKHVSA-N 1 0 272.396 2.876 10 30 CFEERO N#C[C@H]1CCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040694006 174378002 /nfs/dbraw/zinc/37/80/02/174378002.db2.gz RJQYEEQXIDZUJN-ZBFHGGJFSA-N 1 0 261.413 2.629 10 30 CFEERO Cc1sc(NC(=O)CC[NH2+]C(C)C)c(C#N)c1C ZINC000040857167 174424077 /nfs/dbraw/zinc/42/40/77/174424077.db2.gz RGWMHQAORHHDRT-UHFFFAOYSA-N 1 0 265.382 2.563 10 30 CFEERO N#CCc1ccc(O[C@H](C[NH3+])c2ccccc2)cc1 ZINC000042899671 174905321 /nfs/dbraw/zinc/90/53/21/174905321.db2.gz GEIXMXYFNLWAAT-MRXNPFEDSA-N 1 0 252.317 2.831 10 30 CFEERO C[C@@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)c1ccccn1 ZINC000043343823 175016391 /nfs/dbraw/zinc/01/63/91/175016391.db2.gz XHRGKTNULUHAAA-BMIGLBTASA-N 1 0 271.295 2.560 10 30 CFEERO COc1ccccc1COc1cccc(C#CC[NH3+])c1 ZINC000043457892 175050608 /nfs/dbraw/zinc/05/06/08/175050608.db2.gz DOKBIAMBHMDXMX-UHFFFAOYSA-N 1 0 267.328 2.584 10 30 CFEERO C[NH2+][C@H]1CC(C)(C)Oc2cc(O[C@H](C)C#N)ccc21 ZINC000043513897 175061459 /nfs/dbraw/zinc/06/14/59/175061459.db2.gz OMXYZRHVYCNHGO-MFKMUULPSA-N 1 0 260.337 2.799 10 30 CFEERO CC[NH2+]Cc1cc(Cl)c(O[C@@H](C)C#N)c(OC)c1 ZINC000043513383 175061659 /nfs/dbraw/zinc/06/16/59/175061659.db2.gz JJKAKMVJKPMBPI-VIFPVBQESA-N 1 0 268.744 2.749 10 30 CFEERO COc1cc(C[NH2+]C2CC2)cc(Cl)c1O[C@@H](C)C#N ZINC000043513391 175061667 /nfs/dbraw/zinc/06/16/67/175061667.db2.gz DUPBDMPSQFJGOI-VIFPVBQESA-N 1 0 280.755 2.891 10 30 CFEERO CCCOc1ccc(C[C@@H](C)[NH3+])c(O[C@H](C)C#N)c1 ZINC000043518471 175062129 /nfs/dbraw/zinc/06/21/29/175062129.db2.gz MQYSMIBFEZVRPS-VXGBXAGGSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@H](C#N)Oc1cc(OC)ccc1C[NH2+]C1CC1 ZINC000043539003 175063862 /nfs/dbraw/zinc/06/38/62/175063862.db2.gz YVROMTNDFKWXAG-CYBMUJFWSA-N 1 0 260.337 2.628 10 30 CFEERO CC(C)CN(C(=O)c1ccc(C#CC[NH3+])c(F)c1)C(C)C ZINC000043583162 175070616 /nfs/dbraw/zinc/07/06/16/175070616.db2.gz DEIQLRHJIRAGBR-UHFFFAOYSA-N 1 0 290.382 2.643 10 30 CFEERO CC[N@H+](Cc1ccco1)Cc1ccc(C#CCO)s1 ZINC000043678489 175088927 /nfs/dbraw/zinc/08/89/27/175088927.db2.gz WKDRIDMLLJKFLK-UHFFFAOYSA-N 1 0 275.373 2.707 10 30 CFEERO C[C@H]1CCCC[N@@H+]1Cc1ccc(C#CCCO)s1 ZINC000043678833 175089411 /nfs/dbraw/zinc/08/94/11/175089411.db2.gz YIGSPPKMKOCZHK-ZDUSSCGKSA-N 1 0 263.406 2.856 10 30 CFEERO C[N@H+](Cc1sccc1C#CCO)Cc1ccccc1 ZINC000043679006 175089416 /nfs/dbraw/zinc/08/94/16/175089416.db2.gz GFGUMOJSIOBQGV-UHFFFAOYSA-N 1 0 271.385 2.724 10 30 CFEERO C[C@H]1C[C@H](C)C[NH+](Cc2sccc2C#CCO)C1 ZINC000043679193 175089686 /nfs/dbraw/zinc/08/96/86/175089686.db2.gz NOHZDVCPYZNJQH-STQMWFEESA-N 1 0 263.406 2.570 10 30 CFEERO CC[C@@H](C)[N@H+](C)Cc1ccc(C#CCCO)s1 ZINC000043679353 175089799 /nfs/dbraw/zinc/08/97/99/175089799.db2.gz CUCWUUSUILFLEO-GFCCVEGCSA-N 1 0 251.395 2.712 10 30 CFEERO CCC1CC[NH+](Cc2sccc2C#CCO)CC1 ZINC000043678594 175089973 /nfs/dbraw/zinc/08/99/73/175089973.db2.gz WGOBNWOZZCZRKP-UHFFFAOYSA-N 1 0 263.406 2.714 10 30 CFEERO CC[C@H](C)C[N@H+](C)Cc1sccc1C#CCO ZINC000043679567 175090271 /nfs/dbraw/zinc/09/02/71/175090271.db2.gz RGAABPJVGQSSOH-LBPRGKRZSA-N 1 0 251.395 2.570 10 30 CFEERO CC(C)[C@@H](C)[N@H+](C)Cc1sccc1C#CCO ZINC000043679728 175090282 /nfs/dbraw/zinc/09/02/82/175090282.db2.gz OGAFJNNIWNREGC-GFCCVEGCSA-N 1 0 251.395 2.568 10 30 CFEERO C[N@@H+](Cc1ccsc1)Cc1ccc(C#CCO)s1 ZINC000043679619 175090543 /nfs/dbraw/zinc/09/05/43/175090543.db2.gz ZHJLGNRVRRCORZ-UHFFFAOYSA-N 1 0 277.414 2.785 10 30 CFEERO COc1cc(C#N)ccc1OCc1sccc1C#CC[NH3+] ZINC000043684682 175093080 /nfs/dbraw/zinc/09/30/80/175093080.db2.gz ILERKAKLUJDHJJ-UHFFFAOYSA-N 1 0 298.367 2.518 10 30 CFEERO CC[C@H](C)[N@H+](CCOC)Cc1cc(C#CCCO)cs1 ZINC000043698727 175096589 /nfs/dbraw/zinc/09/65/89/175096589.db2.gz ZKAUMMAYVBRXEW-AWEZNQCLSA-N 1 0 295.448 2.729 10 30 CFEERO N#Cc1ccc(NCC2CC[NH2+]CC2)cc1C(F)(F)F ZINC000044509244 175186966 /nfs/dbraw/zinc/18/69/66/175186966.db2.gz NBSKJRPFMXEEHM-UHFFFAOYSA-N 1 0 283.297 2.989 10 30 CFEERO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@H+](C)CC(C)(C)C ZINC000045073494 175302470 /nfs/dbraw/zinc/30/24/70/175302470.db2.gz RSOKLAIEAUPYEB-GFCCVEGCSA-N 1 0 273.380 2.863 10 30 CFEERO COc1ccc(C[N@H+](C)CC(C)(C)C)cc1C#CCO ZINC000045086820 175304525 /nfs/dbraw/zinc/30/45/25/175304525.db2.gz KLIUUNZQRSWLHG-UHFFFAOYSA-N 1 0 275.392 2.517 10 30 CFEERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000045171569 175320881 /nfs/dbraw/zinc/32/08/81/175320881.db2.gz WPDLGUHJQOIABA-NSHDSACASA-N 1 0 268.364 2.759 10 30 CFEERO CC(C)[C@H]([NH3+])CNc1ccc(C(F)(F)F)cc1C#N ZINC000070447854 175939459 /nfs/dbraw/zinc/93/94/59/175939459.db2.gz AECYLHSRMWBQES-LLVKDONJSA-N 1 0 271.286 2.972 10 30 CFEERO C[NH+](C)CC#CCCC(=O)[C@](O)(c1ccccc1)C1CCC1 ZINC000001552378 227382708 /nfs/dbraw/zinc/38/27/08/227382708.db2.gz BCOZTAXOTDBLEA-IBGZPJMESA-N 1 0 299.414 2.589 10 30 CFEERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC000329259905 227389354 /nfs/dbraw/zinc/38/93/54/227389354.db2.gz AKXUMOPXPFNJLK-UONOGXRCSA-N 1 0 286.379 2.545 10 30 CFEERO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000181408972 261896316 /nfs/dbraw/zinc/89/63/16/261896316.db2.gz HWVXSWFOUHZLGP-LBPRGKRZSA-N 1 0 293.798 2.753 10 30 CFEERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cc(C#N)cs1 ZINC000093492608 265182990 /nfs/dbraw/zinc/18/29/90/265182990.db2.gz ADJUJDZAHLEFAQ-CYBMUJFWSA-N 1 0 265.426 2.686 10 30 CFEERO N#Cc1ccc(Cl)cc1N[C@@H](CC[NH3+])C(F)F ZINC000394817991 268101833 /nfs/dbraw/zinc/10/18/33/268101833.db2.gz RVZLRUUPSSKRJF-VIFPVBQESA-N 1 0 259.687 2.606 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CC[C@@H]1[NH3+] ZINC000094342762 274362917 /nfs/dbraw/zinc/36/29/17/274362917.db2.gz SQEPBZLQVKQFHU-SKDRFNHKSA-N 1 0 283.297 2.751 10 30 CFEERO CC(C)[NH2+][C@H]1CCOC[C@@H]1Cc1ccc(C#N)cc1 ZINC000095088426 277666315 /nfs/dbraw/zinc/66/63/15/277666315.db2.gz INVMRSXXEQUPHT-HOTGVXAUSA-N 1 0 258.365 2.504 10 30 CFEERO N#Cc1cc(Cl)ccc1N1CCC[C@H](CC[NH3+])C1 ZINC000070171362 279502997 /nfs/dbraw/zinc/50/29/97/279502997.db2.gz XKQKAFAHMZJRHN-LLVKDONJSA-N 1 0 263.772 2.777 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C#N)cc1C ZINC000126558582 281191180 /nfs/dbraw/zinc/19/11/80/281191180.db2.gz IPBBFFTXKRRQFP-JKSUJKDBSA-N 1 0 297.402 2.566 10 30 CFEERO C[C@H](CCC#N)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000411667481 328098092 /nfs/dbraw/zinc/09/80/92/328098092.db2.gz IAQBSNDZUHZTIZ-BARDWOONSA-N 1 0 250.386 2.694 10 30 CFEERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000389721295 324520308 /nfs/dbraw/zinc/52/03/08/324520308.db2.gz GDGCFFBIKBMGAF-RNCFNFMXSA-N 1 0 283.297 2.987 10 30 CFEERO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC000189714144 329385944 /nfs/dbraw/zinc/38/59/44/329385944.db2.gz NLFCJQHNAMSYRQ-OAHLLOKOSA-N 1 0 278.440 2.969 10 30 CFEERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248835579 329900385 /nfs/dbraw/zinc/90/03/85/329900385.db2.gz NASVCNGCKHEXHE-QLFBSQMISA-N 1 0 251.418 2.635 10 30 CFEERO Cc1c2ccccc2n(C)c1CNC(=[NH2+])NC1CCCC1 ZINC000262378746 330011647 /nfs/dbraw/zinc/01/16/47/330011647.db2.gz NNSOKBUWYFJJIJ-UHFFFAOYSA-N 1 0 284.407 2.834 10 30 CFEERO C[NH+]=C(NCc1nc(C(C)C)c(C)s1)NC(C)C ZINC000262382639 330011978 /nfs/dbraw/zinc/01/19/78/330011978.db2.gz CYPKIUGQHSQHGI-UHFFFAOYSA-N 1 0 268.430 2.648 10 30 CFEERO C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@H]1CC1(C)C ZINC000262505186 330018582 /nfs/dbraw/zinc/01/85/82/330018582.db2.gz LGUWRPTZSDDCPI-IHRRRGAJSA-N 1 0 295.471 2.791 10 30 CFEERO CCCOC1(C[NH+]=C(N(C)C)N(C)C)CCCCC1 ZINC000262526863 330019559 /nfs/dbraw/zinc/01/95/59/330019559.db2.gz LHWDNKXXHGOJGP-UHFFFAOYSA-N 1 0 269.433 2.595 10 30 CFEERO C[NH+]=C(NC1CCC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262820072 330034023 /nfs/dbraw/zinc/03/40/23/330034023.db2.gz XWFRRJVRKFHPRS-GXSJLCMTSA-N 1 0 277.334 2.825 10 30 CFEERO C=CC[C@H](C)[C@@H](C)[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263504317 330058235 /nfs/dbraw/zinc/05/82/35/330058235.db2.gz LOJYUMGRVQWKEA-LOCSVTFISA-N 1 0 294.439 2.504 10 30 CFEERO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCCC(C)(C)C#N ZINC000081568459 330212935 /nfs/dbraw/zinc/21/29/35/330212935.db2.gz DVYFKIYQWJRGSS-GFCCVEGCSA-N 1 0 268.401 2.978 10 30 CFEERO Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N)c(C)c1 ZINC000424104640 330233904 /nfs/dbraw/zinc/23/39/04/330233904.db2.gz UZAWQCOTKOZSQT-UKRRQHHQSA-N 1 0 273.380 2.502 10 30 CFEERO CC(C)N[C@H](C#N)CC[N@H+](C)CC1CCCCC1 ZINC000062437863 519737767 /nfs/dbraw/zinc/73/77/67/519737767.db2.gz LQJNIMUJVWURST-HNNXBMFYSA-N 1 0 251.418 2.779 10 30 CFEERO CC(C)[C@H](C)[N@H+](C)Cc1ccccc1C#CCCO ZINC000049618547 519811919 /nfs/dbraw/zinc/81/19/19/519811919.db2.gz RBGQCSCKVHOWTE-HNNXBMFYSA-N 1 0 259.393 2.897 10 30 CFEERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000061270377 520068159 /nfs/dbraw/zinc/06/81/59/520068159.db2.gz SXBHYAJGCONQAP-VIFPVBQESA-N 1 0 265.744 2.538 10 30 CFEERO CCN[C@](C)(C#N)CCC[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050567113 520225609 /nfs/dbraw/zinc/22/56/09/520225609.db2.gz BPQWXBBKOIAOMX-KKUMJFAQSA-N 1 0 251.418 2.779 10 30 CFEERO CC[N@H+](Cc1ccc(F)cc1C#CCCO)C(C)C ZINC000049617456 521315371 /nfs/dbraw/zinc/31/53/71/521315371.db2.gz WWVXSOHDETZYGL-UHFFFAOYSA-N 1 0 263.356 2.790 10 30 CFEERO CCC[N@H+](CC)CCOc1ccc(C#CCCO)cc1 ZINC000049617310 521610313 /nfs/dbraw/zinc/61/03/13/521610313.db2.gz BPCQYIPENKJITJ-UHFFFAOYSA-N 1 0 275.392 2.531 10 30 CFEERO C#CC[C@H](Cc1cccc(Br)c1)[NH2+]CC ZINC000051074977 518339560 /nfs/dbraw/zinc/33/95/60/518339560.db2.gz MMQVXDIMSIWZBO-CYBMUJFWSA-N 1 0 266.182 2.993 10 30 CFEERO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1cccs1 ZINC000182480435 518591291 /nfs/dbraw/zinc/59/12/91/518591291.db2.gz DXDDUCVSOKQOFA-GFCCVEGCSA-N 1 0 266.410 2.823 10 30 CFEERO C=C(Cl)COc1cccc(C[NH2+]CCOC)c1 ZINC000062731664 518650474 /nfs/dbraw/zinc/65/04/74/518650474.db2.gz FSLSSKRQZPDQKC-UHFFFAOYSA-N 1 0 255.745 2.554 10 30 CFEERO C=CCN(C(=O)CC[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000050947304 518730064 /nfs/dbraw/zinc/73/00/64/518730064.db2.gz JKLDPUCLWCVSFI-AWEZNQCLSA-N 1 0 264.413 2.866 10 30 CFEERO CC(C)(C)[NH2+]Cc1nccn1Cc1cccc(C#N)c1 ZINC000051015406 518768859 /nfs/dbraw/zinc/76/88/59/518768859.db2.gz CFLOAUMZJCBTSL-UHFFFAOYSA-N 1 0 268.364 2.691 10 30 CFEERO C=CCOc1ccc(C[NH2+][C@H](CN(C)C)C(C)C)cc1 ZINC000049197054 519036724 /nfs/dbraw/zinc/03/67/24/519036724.db2.gz UCVRFHUNHLRIJP-QGZVFWFLSA-N 1 0 276.424 2.927 10 30 CFEERO C=C[C@H](C)Oc1cc2c(cc1C[C@@H]([NH3+])CC)OCO2 ZINC000052144453 519299969 /nfs/dbraw/zinc/29/99/69/519299969.db2.gz QQOWIZMKHMHKOV-JQWIXIFHSA-N 1 0 263.337 2.648 10 30 CFEERO CC(C)CC[C@H](C)NC(=O)c1sccc1C#CC[NH3+] ZINC000069235779 519691287 /nfs/dbraw/zinc/69/12/87/519691287.db2.gz SZHMIJOCRJYMRE-LBPRGKRZSA-N 1 0 278.421 2.613 10 30 CFEERO CC(C)[C@H]([NH3+])CCN(C)c1c(C#N)cnc2ccccc21 ZINC000156784775 519817705 /nfs/dbraw/zinc/81/77/05/519817705.db2.gz RNBVIMBGRIJUIF-OAHLLOKOSA-N 1 0 282.391 2.916 10 30 CFEERO CCC1CCC(NC(=O)c2ccc(C#CC[NH3+])s2)CC1 ZINC000049124821 519856231 /nfs/dbraw/zinc/85/62/31/519856231.db2.gz CHASOVOYZWLZQZ-UHFFFAOYSA-N 1 0 290.432 2.757 10 30 CFEERO CCC1CC[NH+](CCOc2ccc(C#CCO)cc2)CC1 ZINC000049614974 519859320 /nfs/dbraw/zinc/85/93/20/519859320.db2.gz SLHBEXFZZYCYEE-UHFFFAOYSA-N 1 0 287.403 2.531 10 30 CFEERO CCC1CC[NH+](Cc2ccc(F)c(C#CCO)c2)CC1 ZINC000049614993 519859622 /nfs/dbraw/zinc/85/96/22/519859622.db2.gz JPLAGTNBHGRZNH-UHFFFAOYSA-N 1 0 275.367 2.792 10 30 CFEERO CCCC1CC[NH+](CC[C@@](C)(C#N)NCC)CC1 ZINC000050905475 519901576 /nfs/dbraw/zinc/90/15/76/519901576.db2.gz BGEBTQJLSVKCKM-HNNXBMFYSA-N 1 0 251.418 2.780 10 30 CFEERO CCCCC[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000049105933 520286950 /nfs/dbraw/zinc/28/69/50/520286950.db2.gz ZEDPINBIOIKRFS-CQSZACIVSA-N 1 0 272.392 2.695 10 30 CFEERO CCCCC[C@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000049105970 520306827 /nfs/dbraw/zinc/30/68/27/520306827.db2.gz ZTDYATHDZKBJKW-ZDUSSCGKSA-N 1 0 290.382 2.835 10 30 CFEERO CC[NH+](CC)C[C@@H](C)N[C@H]1CCCCC[C@@H]1C#N ZINC000054828648 520719240 /nfs/dbraw/zinc/71/92/40/520719240.db2.gz BTXUYGZUVDYDMG-KFWWJZLASA-N 1 0 251.418 2.779 10 30 CFEERO CC[N@H+](Cc1ccc(C#CCO)cc1)C1CCCC1 ZINC000049618368 521299491 /nfs/dbraw/zinc/29/94/91/521299491.db2.gz BWWNHYRQGNWECW-UHFFFAOYSA-N 1 0 257.377 2.795 10 30 CFEERO CC[N@H+](Cc1ccc(C#CCO)cc1F)C1CCCC1 ZINC000049618373 521300113 /nfs/dbraw/zinc/30/01/13/521300113.db2.gz CSQWNSVGQRIZGV-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO CCC[N@H+](C(C)C)[C@@H](C/C(N)=N/O)c1ccccc1 ZINC000055020915 521452895 /nfs/dbraw/zinc/45/28/95/521452895.db2.gz UHKIOMOLEYQBKR-AWEZNQCLSA-N 1 0 263.385 2.985 10 30 CFEERO CCC(CC)[N@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049618659 521541922 /nfs/dbraw/zinc/54/19/22/521541922.db2.gz YFWGETREOUMCRH-UHFFFAOYSA-N 1 0 263.356 2.790 10 30 CFEERO CCC(CC)[N@H+](C)CCOc1ccc(C#CCCO)cc1 ZINC000049618637 521542477 /nfs/dbraw/zinc/54/24/77/521542477.db2.gz CEDDAXNYVMLNAP-UHFFFAOYSA-N 1 0 289.419 2.920 10 30 CFEERO CN(CCOc1cccc(C#CC[NH3+])c1)c1ccccc1 ZINC000049608422 522911097 /nfs/dbraw/zinc/91/10/97/522911097.db2.gz ODWQPRZJWBRCSF-UHFFFAOYSA-N 1 0 280.371 2.512 10 30 CFEERO CC[C@H]1CCCC[N@@H+]1Cc1cc(C#CCO)ccc1OC ZINC000049617489 523029293 /nfs/dbraw/zinc/02/92/93/523029293.db2.gz UVLVQIGZIKBHRY-KRWDZBQOSA-N 1 0 287.403 2.804 10 30 CFEERO C[N@H+](Cc1ccc(C#CCO)cc1F)C1CCCCC1 ZINC000049616492 523206549 /nfs/dbraw/zinc/20/65/49/523206549.db2.gz OLRHPDFFWWWVDS-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#CCO)cc1 ZINC000049615084 523250993 /nfs/dbraw/zinc/25/09/93/523250993.db2.gz ZGDASHXVEDCAEI-UHFFFAOYSA-N 1 0 283.346 2.802 10 30 CFEERO CC[C@@H]1CCC[N@H+](Cc2ccc(C#CCO)cc2)C1 ZINC000049613047 523251684 /nfs/dbraw/zinc/25/16/84/523251684.db2.gz BRVCWSTYWFZLHF-OAHLLOKOSA-N 1 0 257.377 2.652 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(C#N)c1 ZINC000245418604 523321567 /nfs/dbraw/zinc/32/15/67/523321567.db2.gz GQIBHCAXTLSINE-IRXDYDNUSA-N 1 0 269.392 2.617 10 30 CFEERO C[N@H+](Cc1cccs1)Cc1ccc(F)c(C#CCO)c1 ZINC000049618139 523446677 /nfs/dbraw/zinc/44/66/77/523446677.db2.gz LMKPIUBRQZDTEY-UHFFFAOYSA-N 1 0 289.375 2.863 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1COCc1cccs1 ZINC000049611167 523514176 /nfs/dbraw/zinc/51/41/76/523514176.db2.gz RSJWCKRHTJQKAE-UHFFFAOYSA-N 1 0 287.384 2.784 10 30 CFEERO COc1ccc(C#N)cc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000157987740 523522507 /nfs/dbraw/zinc/52/25/07/523522507.db2.gz IVLHIGOTLQWZSM-UHFFFAOYSA-N 1 0 296.374 2.670 10 30 CFEERO C[NH+](C)C(C)(C)CNc1ccc(C#N)cc1Cl ZINC000062791120 524034077 /nfs/dbraw/zinc/03/40/77/524034077.db2.gz GBGBBBKOPYPQBH-UHFFFAOYSA-N 1 0 251.761 2.964 10 30 CFEERO COc1ccc(COCCCC(C)C)cc1C#CC[NH3+] ZINC000049610942 524111896 /nfs/dbraw/zinc/11/18/96/524111896.db2.gz GQDRNOBIADEAAK-UHFFFAOYSA-N 1 0 275.392 2.958 10 30 CFEERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#CCCO ZINC000049615756 524115120 /nfs/dbraw/zinc/11/51/20/524115120.db2.gz ALLUNHUYFQYIKF-CQSZACIVSA-N 1 0 275.367 2.934 10 30 CFEERO C[C@H](CC[NH3+])Nc1ccc(C(F)(F)F)cc1C#N ZINC000310775580 524172518 /nfs/dbraw/zinc/17/25/18/524172518.db2.gz QGDKTCDIAMMLBV-MRVPVSSYSA-N 1 0 257.259 2.726 10 30 CFEERO C[C@@H](C1CC1)[N@H+](C)Cc1cccc(C#CCCO)c1 ZINC000049618526 524319658 /nfs/dbraw/zinc/31/96/58/524319658.db2.gz KEIIFTDXVSINBM-AWEZNQCLSA-N 1 0 257.377 2.651 10 30 CFEERO C[C@H]([NH3+])CCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000164082042 524833317 /nfs/dbraw/zinc/83/33/17/524833317.db2.gz AXVOXZIRTUHYLW-QMMMGPOBSA-N 1 0 257.259 2.726 10 30 CFEERO C[C@H]1C[C@H](C)C[NH+](Cc2cccc(C#CCO)c2)C1 ZINC000049616653 524884820 /nfs/dbraw/zinc/88/48/20/524884820.db2.gz MUKJYNJDJAGLFE-GJZGRUSLSA-N 1 0 257.377 2.508 10 30 CFEERO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C#CCO)cc2F)C1 ZINC000049616648 524884837 /nfs/dbraw/zinc/88/48/37/524884837.db2.gz MTNISZMNIZRUEF-KBPBESRZSA-N 1 0 275.367 2.647 10 30 CFEERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1c(C#N)cnc2ccccc21 ZINC000063196633 525008657 /nfs/dbraw/zinc/00/86/57/525008657.db2.gz HEVZFAIFGBXMRL-WBMJQRKESA-N 1 0 280.375 2.813 10 30 CFEERO CSC[C@@H](C)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000069438752 525624452 /nfs/dbraw/zinc/62/44/52/525624452.db2.gz PFEHWTSAHJFEKZ-LBPRGKRZSA-N 1 0 264.394 2.678 10 30 CFEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(C#CCO)cs1 ZINC000050566704 525640315 /nfs/dbraw/zinc/64/03/15/525640315.db2.gz JCLLSFMRACNGFA-QWHCGFSZSA-N 1 0 263.406 2.712 10 30 CFEERO Cc1ccsc1C(=O)N(C)Cc1cccc(C#CC[NH3+])c1 ZINC000049586953 525816755 /nfs/dbraw/zinc/81/67/55/525816755.db2.gz WGJBOENSLLKWJI-UHFFFAOYSA-N 1 0 298.411 2.639 10 30 CFEERO Cc1ccc(C(=O)N[C@@H](C)c2cccc(C#CC[NH3+])c2)s1 ZINC000049587234 526194450 /nfs/dbraw/zinc/19/44/50/526194450.db2.gz RWLMOYHMRHPLLV-ZDUSSCGKSA-N 1 0 298.411 2.858 10 30 CFEERO C[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000049615750 526251339 /nfs/dbraw/zinc/25/13/39/526251339.db2.gz QXHMQLMDRINLAA-ZDUSSCGKSA-N 1 0 261.340 2.544 10 30 CFEERO N#Cc1ccc(NCC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000214331704 526662734 /nfs/dbraw/zinc/66/27/34/526662734.db2.gz GIYSHOJKOHRDAP-JTQLQIEISA-N 1 0 294.196 2.732 10 30 CFEERO C=CC[NH2+]CC[C@H]1CCC(=O)N1Cc1cc(F)ccc1F ZINC000014953315 526663999 /nfs/dbraw/zinc/66/39/99/526663999.db2.gz OHUGPPSUVXWARS-CQSZACIVSA-N 1 0 294.345 2.622 10 30 CFEERO N#Cc1ccc(N[C@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000062790788 526667503 /nfs/dbraw/zinc/66/75/03/526667503.db2.gz LIICATKPWNLOPV-AWEZNQCLSA-N 1 0 261.756 2.718 10 30 CFEERO N#Cc1cccc(OCC[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000195507135 526727236 /nfs/dbraw/zinc/72/72/36/526727236.db2.gz DRQHOJZOHKMWSB-UHFFFAOYSA-N 1 0 296.374 2.540 10 30 CFEERO N#Cc1ccccc1OCc1ccc(F)c(C#CC[NH3+])c1 ZINC000049610828 526746998 /nfs/dbraw/zinc/74/69/98/526746998.db2.gz ZFJLFDQEDDXCNS-UHFFFAOYSA-N 1 0 280.302 2.587 10 30 CFEERO N#Cc1cccnc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702222 526754334 /nfs/dbraw/zinc/75/43/34/526754334.db2.gz QEEHOMDDDDKMNG-INIZCTEOSA-N 1 0 279.343 2.607 10 30 CFEERO Cc1sc(NC(=O)CCC2CC[NH2+]CC2)c(C#N)c1C ZINC000050950593 526878884 /nfs/dbraw/zinc/87/88/84/526878884.db2.gz OLXFUABVFYVBDX-UHFFFAOYSA-N 1 0 291.420 2.955 10 30 CFEERO [NH3+]CC#Cc1cc(COCc2ccccc2)ccc1F ZINC000049610350 527146597 /nfs/dbraw/zinc/14/65/97/527146597.db2.gz WGSIYUZQGGLTMY-UHFFFAOYSA-N 1 0 269.319 2.853 10 30 CFEERO [NH3+]CC#Cc1cc(COCc2cccs2)ccc1F ZINC000049611173 527146846 /nfs/dbraw/zinc/14/68/46/527146846.db2.gz BRYGLIUCAXEALC-UHFFFAOYSA-N 1 0 275.348 2.914 10 30 CFEERO [NH3+]CC#Cc1ccc(COCc2ccccc2)c(F)c1 ZINC000049610347 527149813 /nfs/dbraw/zinc/14/98/13/527149813.db2.gz NAEGNYXALBXOGB-UHFFFAOYSA-N 1 0 269.319 2.853 10 30 CFEERO [NH3+]CC#Cc1ccc(COCc2ccccc2F)s1 ZINC000069285272 527150052 /nfs/dbraw/zinc/15/00/52/527150052.db2.gz RAIZLDINHWLKIL-UHFFFAOYSA-N 1 0 275.348 2.914 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2ccc(F)cc2F)cc1 ZINC000049610386 527150375 /nfs/dbraw/zinc/15/03/75/527150375.db2.gz WSZSQLSTUZJETJ-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO [NH3+]CC#Cc1ccccc1COCc1ccccc1F ZINC000069285266 527154683 /nfs/dbraw/zinc/15/46/83/527154683.db2.gz YTYKYPULDHSUMC-UHFFFAOYSA-N 1 0 269.319 2.853 10 30 CFEERO C#CCCCN(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757135567 617782220 /nfs/dbraw/zinc/78/22/20/617782220.db2.gz VIPKNUJAQLKUEJ-UHFFFAOYSA-N 1 0 289.379 2.695 10 30 CFEERO N#Cc1sc(N[C@@H]2CCCC[C@H]2C[NH3+])nc1Cl ZINC000300118804 618106462 /nfs/dbraw/zinc/10/64/62/618106462.db2.gz AIWRLMDPKUOINL-JGVFFNPUSA-N 1 0 270.789 2.598 10 30 CFEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC(OC(C)(C)C)CC1 ZINC000261705367 618129956 /nfs/dbraw/zinc/12/99/56/618129956.db2.gz GPXXBQVZVJRTAN-GXTWGEPZSA-N 1 0 281.444 2.640 10 30 CFEERO N#Cc1cc(F)c(NCC2([NH3+])CCCCC2)c(F)c1 ZINC000261629242 619181591 /nfs/dbraw/zinc/18/15/91/619181591.db2.gz VRHRYCQWLJOCHE-UHFFFAOYSA-N 1 0 265.307 2.910 10 30 CFEERO C[NH2+]CCC1CCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC000261681621 619207979 /nfs/dbraw/zinc/20/79/79/619207979.db2.gz GTHDCKXYYJSXSA-UHFFFAOYSA-N 1 0 292.814 2.741 10 30 CFEERO COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1O ZINC000228677992 620072592 /nfs/dbraw/zinc/07/25/92/620072592.db2.gz NIRLLXSHMUDEFH-SKDRFNHKSA-N 1 0 280.755 2.836 10 30 CFEERO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1O ZINC000228677982 620072725 /nfs/dbraw/zinc/07/27/25/620072725.db2.gz NIRLLXSHMUDEFH-BXKDBHETSA-N 1 0 280.755 2.836 10 30 CFEERO C[C@H]1[NH2+]CCC[C@H]1Nc1c(C#N)cnc2ccccc21 ZINC000229599376 623214165 /nfs/dbraw/zinc/21/41/65/623214165.db2.gz BXJJDTQSZDPCIN-BXUZGUMPSA-N 1 0 266.348 2.659 10 30 CFEERO C#CCC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000230308602 623269520 /nfs/dbraw/zinc/26/95/20/623269520.db2.gz OAOPSFLSBKEVDS-UHFFFAOYSA-N 1 0 274.108 2.840 10 30 CFEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000245745732 623705539 /nfs/dbraw/zinc/70/55/39/623705539.db2.gz MQTIXYXAYMFXHR-OLZOCXBDSA-N 1 0 276.405 2.915 10 30 CFEERO C#CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1CCCC1 ZINC000163661860 626407840 /nfs/dbraw/zinc/40/78/40/626407840.db2.gz KPDMVMJJJUAGBJ-OAHLLOKOSA-N 1 0 293.455 2.550 10 30 CFEERO CCCCCCC[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000118199208 637163712 /nfs/dbraw/zinc/16/37/12/637163712.db2.gz SRTPZWVMGJIMPP-CABCVRRESA-N 1 0 256.434 2.656 10 30 CFEERO CCCCCCCC[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247031048 650895393 /nfs/dbraw/zinc/89/53/93/650895393.db2.gz PGNVQNJNDJONGJ-HOTGVXAUSA-N 1 0 270.461 2.734 10 30 CFEERO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000248179751 650925622 /nfs/dbraw/zinc/92/56/22/650925622.db2.gz WFBMKCARWUAEQB-YXJHDRRASA-N 1 0 287.403 2.900 10 30 CFEERO C#CCOc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000093585729 650943478 /nfs/dbraw/zinc/94/34/78/650943478.db2.gz YASQPCUVFCULFR-IEBWSBKVSA-N 1 0 299.414 2.826 10 30 CFEERO C[C@@H](C#N)OCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000304206222 651016260 /nfs/dbraw/zinc/01/62/60/651016260.db2.gz CXPQSCJNYKDSDT-IUCAKERBSA-N 1 0 258.774 2.981 10 30 CFEERO C[C@H]1C[C@H](C[NH3+])CN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000216224503 646538011 /nfs/dbraw/zinc/53/80/11/646538011.db2.gz JJPGLUROOURJPE-VHSXEESVSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C[NH2+]1 ZINC000034575205 648743019 /nfs/dbraw/zinc/74/30/19/648743019.db2.gz XSUSILNKXHRYEW-UWVGGRQHSA-N 1 0 283.297 2.764 10 30 CFEERO Cc1ccccc1CNC(=O)C[N+](C)(C)C1CCCC1 ZINC000029414740 717118822 /nfs/dbraw/zinc/11/88/22/717118822.db2.gz HEHBSLOFUKZHOC-UHFFFAOYSA-O 1 0 275.416 2.630 10 30 CFEERO C[C@@H]1CCC[C@H](NC(=O)C[N+](C)(C)C2CCCC2)[C@H]1C ZINC000249237653 717164574 /nfs/dbraw/zinc/16/45/74/717164574.db2.gz NQPZKUIVZLKPNB-YCPHGPKFSA-O 1 0 281.464 2.946 10 30 CFEERO C[N+](C)(C)CC#C[C@@](O)(c1ccccc1)C1CCCC1 ZINC000096909338 185128113 /nfs/dbraw/zinc/12/81/13/185128113.db2.gz LCLUQLYMCAXABJ-GOSISDBHSA-N 1 0 272.412 2.774 10 30 CFEERO CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1C#N)C1CCCC1 ZINC000595687404 349700530 /nfs/dbraw/zinc/70/05/30/349700530.db2.gz CKPSYTQSYVTLGM-QLFBSQMISA-N 1 0 250.386 2.864 10 30 CFEERO N#Cc1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)ccc1F ZINC000119517550 232196393 /nfs/dbraw/zinc/19/63/93/232196393.db2.gz PQDBDOSWRXTPFD-UHFFFAOYSA-N 1 0 284.338 2.800 10 30 CFEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CCC)c1cccs1 ZINC000049545071 122271990 /nfs/dbraw/zinc/27/19/90/122271990.db2.gz YFAUBDJXKBVQQQ-VXGBXAGGSA-N 1 0 266.410 2.870 10 30 CFEERO CC[NH+](CC)CC#CCCC(=O)[C@](C)(O)c1ccccc1 ZINC000013825153 346232724 /nfs/dbraw/zinc/23/27/24/346232724.db2.gz CIZRRARIHKVPFV-GOSISDBHSA-N 1 0 287.403 2.589 10 30 CFEERO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C#N)cc1 ZINC000054823420 346577020 /nfs/dbraw/zinc/57/70/20/346577020.db2.gz BSELZMHFMWRLOE-HOCLYGCPSA-N 1 0 258.365 2.910 10 30 CFEERO COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000054823417 346577418 /nfs/dbraw/zinc/57/74/18/346577418.db2.gz BSELZMHFMWRLOE-GDBMZVCRSA-N 1 0 258.365 2.910 10 30 CFEERO C=C[C@H]([NH3+])c1csc(I)c1 ZINC000130720498 347874107 /nfs/dbraw/zinc/87/41/07/347874107.db2.gz ZXHZXDLSTNDMBT-LURJTMIESA-N 1 0 265.119 2.539 10 30 CFEERO CCCCCCCCCCON1C(=N)NC(=[NH2+])NC1(C)C ZINC000137190932 347912969 /nfs/dbraw/zinc/91/29/69/347912969.db2.gz JFYUIKOAFDIQAH-UHFFFAOYSA-N 1 0 297.447 2.740 10 30 CFEERO CCCCCCCC[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000157593633 348001833 /nfs/dbraw/zinc/00/18/33/348001833.db2.gz MBMLHDCJQFLICC-OAHLLOKOSA-N 1 0 254.418 2.947 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(C#N)cc1C ZINC000165494224 348039637 /nfs/dbraw/zinc/03/96/37/348039637.db2.gz SYHBRSZZIXHSBA-QGZVFWFLSA-N 1 0 271.408 2.783 10 30 CFEERO C#CC[C@H]([NH3+])c1c(F)cc(Br)cc1F ZINC000168683397 348049369 /nfs/dbraw/zinc/04/93/69/348049369.db2.gz UEUSGJUHXZRGRN-VIFPVBQESA-N 1 0 260.081 2.750 10 30 CFEERO C#CC[C@@H]([NH2+]C)c1ccc(F)c(Br)c1 ZINC000169238606 348050055 /nfs/dbraw/zinc/05/00/55/348050055.db2.gz FNXJTMABQYXGEF-LLVKDONJSA-N 1 0 256.118 2.872 10 30 CFEERO C=C[C@H]([NH3+])c1ccc(F)cc1I ZINC000229296564 348200183 /nfs/dbraw/zinc/20/01/83/348200183.db2.gz ACOHGVUUUXWSGM-VIFPVBQESA-N 1 0 277.080 2.616 10 30 CFEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000309847922 348408169 /nfs/dbraw/zinc/40/81/69/348408169.db2.gz YVDLBFSGDJCBBP-RCCFBDPRSA-N 1 0 283.419 2.933 10 30 CFEERO C[C@H](C[C@H](C)[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000320485418 348436537 /nfs/dbraw/zinc/43/65/37/348436537.db2.gz HKVLILXCQSEDFL-JGVFFNPUSA-N 1 0 272.274 2.510 10 30 CFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000313292689 348422333 /nfs/dbraw/zinc/42/23/33/348422333.db2.gz IFXNWSRHPYFOHO-GJZGRUSLSA-N 1 0 250.386 2.865 10 30 CFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000390082630 348541812 /nfs/dbraw/zinc/54/18/12/348541812.db2.gz CZXSEOCSDJGLLP-CVEARBPZSA-N 1 0 258.365 2.875 10 30 CFEERO C[NH2+]Cc1ccccc1CNc1nc(C)ccc1C#N ZINC000404554086 348592996 /nfs/dbraw/zinc/59/29/96/348592996.db2.gz PNOJGCLXRIFPBO-UHFFFAOYSA-N 1 0 266.348 2.593 10 30 CFEERO N#Cc1cc(Br)ccc1NCCC1(C[NH3+])CC1 ZINC000404627998 348593261 /nfs/dbraw/zinc/59/32/61/348593261.db2.gz DDNGKMWDOCJCQR-UHFFFAOYSA-N 1 0 294.196 2.862 10 30 CFEERO Cc1ccc(S(=O)(=O)O[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC000584601546 348685656 /nfs/dbraw/zinc/68/56/56/348685656.db2.gz XGIDNKYKUHPTQG-LSDHHAIUSA-N 1 0 297.420 2.573 10 30 CFEERO C[N@@H+](CC#CCCC=O)CCCCc1ccccc1 ZINC000584636396 348697942 /nfs/dbraw/zinc/69/79/42/348697942.db2.gz XQNRCBCISMBXQX-UHFFFAOYSA-N 1 0 257.377 2.924 10 30 CFEERO CC1([NH3+])CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000591434417 349020695 /nfs/dbraw/zinc/02/06/95/349020695.db2.gz GGBVMDYFXRVPRQ-UHFFFAOYSA-N 1 0 283.297 2.895 10 30 CFEERO CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594428293 349418430 /nfs/dbraw/zinc/41/84/30/349418430.db2.gz MHNZEOROUWCHRT-CABCVRRESA-N 1 0 273.380 2.665 10 30 CFEERO C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1Cl ZINC000594427655 349418977 /nfs/dbraw/zinc/41/89/77/349418977.db2.gz VUORIHOBIQQCCP-SMDDNHRTSA-N 1 0 293.798 2.928 10 30 CFEERO Cc1nc(N2CCCCC[C@H]([NH3+])C2)c(Cl)cc1C#N ZINC000600958834 350637392 /nfs/dbraw/zinc/63/73/92/350637392.db2.gz MOSYXNZIGNWVGQ-LBPRGKRZSA-N 1 0 278.787 2.623 10 30 CFEERO CC[C@H]([NH3+])CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000111304754 186393952 /nfs/dbraw/zinc/39/39/52/186393952.db2.gz VYUCXLHQIFEFBJ-VIFPVBQESA-N 1 0 257.259 2.726 10 30 CFEERO N#Cc1ccc([C@H]2Cc3ccccc3N(CC[NH3+])C2)cc1 ZINC000616670223 352406338 /nfs/dbraw/zinc/40/63/38/352406338.db2.gz FFXBVVIOWYGVDQ-KRWDZBQOSA-N 1 0 277.371 2.663 10 30 CFEERO N#Cc1ccccc1[C@@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616671069 352406374 /nfs/dbraw/zinc/40/63/74/352406374.db2.gz FSUKZYGQZSEVKY-MRXNPFEDSA-N 1 0 277.371 2.663 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000094337555 283136959 /nfs/dbraw/zinc/13/69/59/283136959.db2.gz SDKIRCNAOPGLQD-ONGXEEELSA-N 1 0 298.312 2.901 10 30 CFEERO N#Cc1ccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C(F)(F)F ZINC000261727996 283168372 /nfs/dbraw/zinc/16/83/72/283168372.db2.gz QTBGRILSDYNQIG-SMDDNHRTSA-N 1 0 295.308 2.765 10 30 CFEERO N#Cc1ccc(N2CC[C@]3(CC[NH2+]C3)C2)cc1C(F)(F)F ZINC000261597620 283168873 /nfs/dbraw/zinc/16/88/73/283168873.db2.gz ARJOEAIGQKJHLK-AWEZNQCLSA-N 1 0 295.308 2.767 10 30 CFEERO N#Cc1ccc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C(F)(F)F ZINC000261743217 283171580 /nfs/dbraw/zinc/17/15/80/283171580.db2.gz SHTSIJMAPJFUEX-JKOKRWQUSA-N 1 0 295.308 2.751 10 30 CFEERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000178307625 189105457 /nfs/dbraw/zinc/10/54/57/189105457.db2.gz KQJBSEBBRBKRME-MRXNPFEDSA-N 1 0 298.365 2.867 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)c(C#N)c1 ZINC000180830471 189278257 /nfs/dbraw/zinc/27/82/57/189278257.db2.gz PJKNCXCIVAZSJK-JKSUJKDBSA-N 1 0 287.382 2.756 10 30 CFEERO N#Cc1ccccc1C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188146478 189491970 /nfs/dbraw/zinc/49/19/70/189491970.db2.gz OSWYPEZUOXUKKU-IRXDYDNUSA-N 1 0 298.411 2.828 10 30 CFEERO C=C(C(=O)CC[NH2+]Cc1ccccc1)C(F)(F)F ZINC000685960411 541474772 /nfs/dbraw/zinc/47/47/72/541474772.db2.gz JPOOBLISDYWIFC-UHFFFAOYSA-N 1 0 257.255 2.854 10 30 CFEERO N#Cc1ccnc(N[C@@H](C[NH3+])C2CCCCC2)c1Cl ZINC000236240147 189832831 /nfs/dbraw/zinc/83/28/31/189832831.db2.gz ISXXELSJTPXEDN-LBPRGKRZSA-N 1 0 278.787 2.926 10 30 CFEERO CN(C)/C=[NH+]/c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000018988214 372147436 /nfs/dbraw/zinc/14/74/36/372147436.db2.gz DORCKUIUJTVMTR-VCHYOVAHSA-N 1 0 278.311 2.683 10 30 CFEERO Cc1nc(-c2ccccc2)nc(SCC[NH+](C)C)c1C#N ZINC000027789339 372348421 /nfs/dbraw/zinc/34/84/21/372348421.db2.gz VBRHOGYSAXCBSM-UHFFFAOYSA-N 1 0 298.415 2.977 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CCC[NH2+]1 ZINC000053255111 373472400 /nfs/dbraw/zinc/47/24/00/373472400.db2.gz JRBOUJVCBYJYHE-NSHDSACASA-N 1 0 269.270 2.741 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cccc(C#N)c1 ZINC000083704427 374755534 /nfs/dbraw/zinc/75/55/34/374755534.db2.gz LZXODYGWYBGBDR-WMLDXEAASA-N 1 0 269.392 2.617 10 30 CFEERO N#C[C@@H]1CCC[C@H]1NCc1cncc(Br)c1 ZINC000124976929 377106818 /nfs/dbraw/zinc/10/68/18/377106818.db2.gz OWWOFWSLRYEFJD-CMPLNLGQSA-N 1 0 280.169 2.626 10 30 CFEERO N#Cc1cc(Br)ccc1NC[C@H]1CCC[NH2+]C1 ZINC000132309880 377825731 /nfs/dbraw/zinc/82/57/31/377825731.db2.gz MRDJWXGWJVLOFO-JTQLQIEISA-N 1 0 294.196 2.732 10 30 CFEERO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000158104240 378663965 /nfs/dbraw/zinc/66/39/65/378663965.db2.gz RBJNKYNEMUUWDH-CABCVRRESA-N 1 0 264.413 2.709 10 30 CFEERO C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000158104679 378664506 /nfs/dbraw/zinc/66/45/06/378664506.db2.gz RBJNKYNEMUUWDH-LSDHHAIUSA-N 1 0 264.413 2.709 10 30 CFEERO C[C@@H](CCC[NH3+])Nc1ccc(Br)cc1C#N ZINC000336671191 380588826 /nfs/dbraw/zinc/58/88/26/380588826.db2.gz SBXZBHHNPUWVJG-VIFPVBQESA-N 1 0 282.185 2.860 10 30 CFEERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000180133989 380624805 /nfs/dbraw/zinc/62/48/05/380624805.db2.gz UBCXBKHRBATYNW-OAHLLOKOSA-N 1 0 274.412 2.986 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000181374336 380782603 /nfs/dbraw/zinc/78/26/03/380782603.db2.gz YPOBUDUCWLUXMV-GJZGRUSLSA-N 1 0 281.444 2.857 10 30 CFEERO C=CCC[C@H](O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181552609 380824675 /nfs/dbraw/zinc/82/46/75/380824675.db2.gz CWZDIZZKARXJIW-LSDHHAIUSA-N 1 0 278.352 2.963 10 30 CFEERO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H]1N(C)C ZINC000300119517 382057681 /nfs/dbraw/zinc/05/76/81/382057681.db2.gz GIQZUEMRMJINNN-ZIAGYGMSSA-N 1 0 251.418 2.588 10 30 CFEERO Cc1cc(NC[C@@H]2CCC(C)(C)O2)c(C#N)c(C)n1 ZINC000302363769 382243175 /nfs/dbraw/zinc/24/31/75/382243175.db2.gz DHKNPDNVXHSEOG-LBPRGKRZSA-N 1 0 259.353 2.940 10 30 CFEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(Br)cc1C#N ZINC000320828349 382538742 /nfs/dbraw/zinc/53/87/42/382538742.db2.gz JWDKTBLEQJGOGS-RKDXNWHRSA-N 1 0 282.185 2.858 10 30 CFEERO CC[NH2+][C@H](C)CNc1cccc(Br)c1C#N ZINC000387441697 382597770 /nfs/dbraw/zinc/59/77/70/382597770.db2.gz KSPTYHOYRHKPPC-SECBINFHSA-N 1 0 282.185 2.731 10 30 CFEERO C=CCCC[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195284092 382765940 /nfs/dbraw/zinc/76/59/40/382765940.db2.gz XVKAGWXZRSDNJC-QGZVFWFLSA-N 1 0 273.424 2.802 10 30 CFEERO CC(C)[NH2+]CCCNc1nc(C(F)(F)F)ccc1C#N ZINC000579217701 382993059 /nfs/dbraw/zinc/99/30/59/382993059.db2.gz FDRLKPBSEZYRCY-UHFFFAOYSA-N 1 0 286.301 2.772 10 30 CFEERO N#Cc1cc(CN2CCO[C@H]3CCCC[C@H]32)ccc1F ZINC000246760057 383101545 /nfs/dbraw/zinc/10/15/45/383101545.db2.gz VZXUSPVPVCALEE-CVEARBPZSA-N 1 0 274.339 2.841 10 30 CFEERO C=C(C)C[C@@H](C)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000248629897 383274783 /nfs/dbraw/zinc/27/47/83/383274783.db2.gz QGVVQDIDMFTRSC-ZIAGYGMSSA-N 1 0 252.402 2.531 10 30 CFEERO C=C(C)C[C@@H](C)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000248629894 383274854 /nfs/dbraw/zinc/27/48/54/383274854.db2.gz QGVVQDIDMFTRSC-KGLIPLIRSA-N 1 0 252.402 2.531 10 30 CFEERO CCCN(c1nc(C(F)(F)F)ccc1C#N)[C@@H]1CC[NH2+]C1 ZINC000094337433 184783240 /nfs/dbraw/zinc/78/32/40/184783240.db2.gz ZNIIQBKGPMEVAD-LLVKDONJSA-N 1 0 298.312 2.550 10 30 CFEERO O[C@]12CCCC[C@@H]1C[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000157181942 285379088 /nfs/dbraw/zinc/37/90/88/285379088.db2.gz TZRLBVVFBXFMQN-AEFFLSMTSA-N 1 0 287.378 2.804 10 30 CFEERO OC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1c1ccsc1 ZINC000192207251 130394190 /nfs/dbraw/zinc/39/41/90/130394190.db2.gz ZUIFAYOYDIOQMR-ROUUACIJSA-N 1 0 297.423 2.808 10 30 CFEERO C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C[NH3+] ZINC000164019290 394368987 /nfs/dbraw/zinc/36/89/87/394368987.db2.gz URUDZCZGRHSKKG-JQWIXIFHSA-N 1 0 297.324 2.998 10 30 CFEERO Cn1cc([C@H]2CC[N@H+](CCCC(C)(C)C#N)C2)cn1 ZINC000174866178 394380024 /nfs/dbraw/zinc/38/00/24/394380024.db2.gz GVFDQTLFXKATSJ-ZDUSSCGKSA-N 1 0 260.385 2.539 10 30 CFEERO CNC(=[NH2+])SCc1ccccc1Br ZINC000007666272 170296493 /nfs/dbraw/zinc/29/64/93/170296493.db2.gz MBWKMOJBVOHJGP-UHFFFAOYSA-N 1 0 259.172 2.627 10 30 CFEERO N/C(C[NH+](C1CCCCC1)C1CCCCC1)=N\O ZINC000019808297 170877323 /nfs/dbraw/zinc/87/73/23/170877323.db2.gz ASHLPELKZXJSDP-UHFFFAOYSA-N 1 0 253.390 2.700 10 30 CFEERO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N(C)C ZINC000020145606 171031117 /nfs/dbraw/zinc/03/11/17/171031117.db2.gz GTCMSAJKDJVXFZ-BBRMVZONSA-N 1 0 259.397 2.795 10 30 CFEERO C[NH+](C)CCN[C@H](C#N)c1c(Cl)cccc1Cl ZINC000020177168 171042666 /nfs/dbraw/zinc/04/26/66/171042666.db2.gz ILTDIYFSEZZGID-LLVKDONJSA-N 1 0 272.179 2.709 10 30 CFEERO C[NH2+]CCOc1cccc(-c2ccc(C#N)cc2)c1 ZINC000032533030 171732071 /nfs/dbraw/zinc/73/20/71/171732071.db2.gz ZOKLAJBJRMQPHD-UHFFFAOYSA-N 1 0 252.317 2.823 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COCCCC ZINC000661114665 413767030 /nfs/dbraw/zinc/76/70/30/413767030.db2.gz JLEIKTSYADCLEV-PMPSAXMXSA-N 1 0 269.429 2.889 10 30 CFEERO C#CC[NH+]1CCC(Nc2cccc(Cl)c2F)CC1 ZINC000037246494 173059972 /nfs/dbraw/zinc/05/99/72/173059972.db2.gz SWUICZILRGFILO-UHFFFAOYSA-N 1 0 266.747 2.989 10 30 CFEERO C#CC[NH+]1CCC(Nc2ccc(Cl)cc2F)CC1 ZINC000037297271 173101184 /nfs/dbraw/zinc/10/11/84/173101184.db2.gz WJJYMGIMRQTLNB-UHFFFAOYSA-N 1 0 266.747 2.989 10 30 CFEERO N#Cc1ccccc1COc1ccc(CC[NH3+])cc1 ZINC000037720371 173638675 /nfs/dbraw/zinc/63/86/75/173638675.db2.gz XSKHFZHYRZTUCN-UHFFFAOYSA-N 1 0 252.317 2.638 10 30 CFEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000662600175 414570326 /nfs/dbraw/zinc/57/03/26/414570326.db2.gz BTPXQZNXIASEGX-MGPQQGTHSA-N 1 0 252.402 2.611 10 30 CFEERO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)[NH+]1CCCCC1 ZINC000038029362 174019307 /nfs/dbraw/zinc/01/93/07/174019307.db2.gz YOVYBZDPFQRGRY-LBPRGKRZSA-N 1 0 288.351 2.753 10 30 CFEERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000038097546 174110831 /nfs/dbraw/zinc/11/08/31/174110831.db2.gz SODNCYPZDUXABT-WFASDCNBSA-N 1 0 270.332 2.844 10 30 CFEERO N#C[C@@H]1CCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040694008 174377795 /nfs/dbraw/zinc/37/77/95/174377795.db2.gz RJQYEEQXIDZUJN-GOEBONIOSA-N 1 0 261.413 2.629 10 30 CFEERO C[C@H]([N@H+](C)Cc1ccccc1C#CCO)C(C)(C)C ZINC000042780126 174876198 /nfs/dbraw/zinc/87/61/98/174876198.db2.gz IOFZHDITGHIVIO-AWEZNQCLSA-N 1 0 259.393 2.897 10 30 CFEERO Cc1cccc([C@@H](C[NH3+])Oc2cccc(C#N)c2)c1 ZINC000042968656 174932505 /nfs/dbraw/zinc/93/25/05/174932505.db2.gz WIQQJHOAWLJFPV-MRXNPFEDSA-N 1 0 252.317 2.946 10 30 CFEERO C[C@H]([NH3+])[C@H](c1cccc(F)c1)N(CCC#N)C1CC1 ZINC000042972985 174936468 /nfs/dbraw/zinc/93/64/68/174936468.db2.gz SOONWDODVOWECE-XHDPSFHLSA-N 1 0 261.344 2.592 10 30 CFEERO CCN(C[C@H](C)C#N)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043037029 174952647 /nfs/dbraw/zinc/95/26/47/174952647.db2.gz HXNPPMJDXWPRPB-XNRPHZJLSA-N 1 0 259.397 2.865 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)c1ccncc1 ZINC000043356212 175023533 /nfs/dbraw/zinc/02/35/33/175023533.db2.gz NXGBGMANQUFGMX-GOEBONIOSA-N 1 0 285.322 2.950 10 30 CFEERO C[C@@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)c1ccncc1 ZINC000043356209 175023650 /nfs/dbraw/zinc/02/36/50/175023650.db2.gz DQOIFQRLYLUGLJ-BMIGLBTASA-N 1 0 271.295 2.560 10 30 CFEERO COc1cc(C#N)ccc1O[C@H](C[NH3+])c1ccc(C)o1 ZINC000043365720 175027107 /nfs/dbraw/zinc/02/71/07/175027107.db2.gz WUWWKGUNOQMDON-OAHLLOKOSA-N 1 0 272.304 2.547 10 30 CFEERO C=CCNC(=O)[C@@H](C)Oc1ccc(C[NH2+]CC)cc1Cl ZINC000043478912 175055189 /nfs/dbraw/zinc/05/51/89/175055189.db2.gz KZKXYIPIRSFVPS-LLVKDONJSA-N 1 0 296.798 2.519 10 30 CFEERO CCOc1cccc(C[NH2+]C2CC2)c1O[C@@H](C)C#N ZINC000043513527 175061488 /nfs/dbraw/zinc/06/14/88/175061488.db2.gz ADVQTOLZTHXMLR-NSHDSACASA-N 1 0 260.337 2.628 10 30 CFEERO CC[C@@H]([NH3+])Cc1ccc(O[C@H](C)C#N)c(Cl)c1 ZINC000043518929 175062044 /nfs/dbraw/zinc/06/20/44/175062044.db2.gz PZGKTNFDDBXKAK-MWLCHTKSSA-N 1 0 252.745 2.911 10 30 CFEERO CC[NH2+]Cc1cccc(OCC)c1O[C@@H](C#N)CC ZINC000043538787 175063707 /nfs/dbraw/zinc/06/37/07/175063707.db2.gz RKXPOXBNHRLAGB-CYBMUJFWSA-N 1 0 262.353 2.876 10 30 CFEERO CC[C@@H](C#N)Oc1c(Cl)cc(C[C@@H](C)[NH3+])cc1OC ZINC000043543528 175064186 /nfs/dbraw/zinc/06/41/86/175064186.db2.gz LJMBZWBBBNJYGV-KOLCDFICSA-N 1 0 282.771 2.919 10 30 CFEERO N#Cc1cc(NC(=O)CC[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000043588590 175072893 /nfs/dbraw/zinc/07/28/93/175072893.db2.gz JDCQRLOBVWFIDJ-LLVKDONJSA-N 1 0 291.782 2.930 10 30 CFEERO Cc1ccccc1NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043589589 175073492 /nfs/dbraw/zinc/07/34/92/175073492.db2.gz ULFSMUSTAPSMBX-UHFFFAOYSA-N 1 0 282.318 2.697 10 30 CFEERO Cc1sc(NC(=O)CC[C@H]2CCC[NH2+]C2)c(C#N)c1C ZINC000043591265 175073926 /nfs/dbraw/zinc/07/39/26/175073926.db2.gz WQAKWWBWASCQNE-GFCCVEGCSA-N 1 0 291.420 2.955 10 30 CFEERO CCc1ccc(C(=O)Nc2ccccc2C#CC[NH3+])s1 ZINC000043640331 175084721 /nfs/dbraw/zinc/08/47/21/175084721.db2.gz CKDHROUYFALMMQ-UHFFFAOYSA-N 1 0 284.384 2.873 10 30 CFEERO Cc1cccc(OCc2sccc2C#CC[NH3+])c1 ZINC000043684815 175093517 /nfs/dbraw/zinc/09/35/17/175093517.db2.gz OKVAABKUOPJWNR-UHFFFAOYSA-N 1 0 257.358 2.946 10 30 CFEERO CCC[NH2+]CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000044288240 175159683 /nfs/dbraw/zinc/15/96/83/175159683.db2.gz HBURRMZJQBDQSX-SNVBAGLBSA-N 1 0 291.420 2.683 10 30 CFEERO CCC[NH2+]CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000044288244 175159738 /nfs/dbraw/zinc/15/97/38/175159738.db2.gz HBURRMZJQBDQSX-JTQLQIEISA-N 1 0 291.420 2.683 10 30 CFEERO N#Cc1ccc(NC[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000044503089 175186357 /nfs/dbraw/zinc/18/63/57/175186357.db2.gz WFJZLLYHYNYWJR-SNVBAGLBSA-N 1 0 283.297 2.989 10 30 CFEERO C#CCN1CCC([NH2+]Cc2ccc(C(C)C)cc2)CC1 ZINC000045041418 175295138 /nfs/dbraw/zinc/29/51/38/175295138.db2.gz RWZNTQHYFRINRR-UHFFFAOYSA-N 1 0 270.420 2.997 10 30 CFEERO C[N@H+](Cc1cc(C#CCO)cs1)CC(C)(C)C ZINC000045086780 175304210 /nfs/dbraw/zinc/30/42/10/175304210.db2.gz GSEOMACQSGGZBZ-UHFFFAOYSA-N 1 0 251.395 2.570 10 30 CFEERO N#Cc1cc(Cl)ccc1OCC1CC[NH2+]CC1 ZINC000052859375 175539726 /nfs/dbraw/zinc/53/97/26/175539726.db2.gz VEFCEIBQZTUPEL-UHFFFAOYSA-N 1 0 250.729 2.590 10 30 CFEERO CC[C@H]1CC[C@H](C#N)[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071189145 176064354 /nfs/dbraw/zinc/06/43/54/176064354.db2.gz XDFULRVCJYVIPU-ZJIFWQFVSA-N 1 0 263.429 2.588 10 30 CFEERO CC[C@@H]1CC[C@H](C#N)[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071189144 176064843 /nfs/dbraw/zinc/06/48/43/176064843.db2.gz XDFULRVCJYVIPU-KLHDSHLOSA-N 1 0 263.429 2.588 10 30 CFEERO N#CCCCOc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000071399546 176152119 /nfs/dbraw/zinc/15/21/19/176152119.db2.gz ZTPISEPMXVZCSN-UHFFFAOYSA-N 1 0 272.270 2.889 10 30 CFEERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329381882 227480078 /nfs/dbraw/zinc/48/00/78/227480078.db2.gz OEQKYTXFWGSEHV-FRRDWIJNSA-N 1 0 281.400 2.572 10 30 CFEERO Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000330010868 228015398 /nfs/dbraw/zinc/01/53/98/228015398.db2.gz IJJBTZHPYYWMJF-CHWSQXEVSA-N 1 0 291.395 2.723 10 30 CFEERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000195300080 262249283 /nfs/dbraw/zinc/24/92/83/262249283.db2.gz KUFCHJJGUZYCGP-QGZVFWFLSA-N 1 0 286.423 2.529 10 30 CFEERO N#Cc1ccc(CNC(=[NH2+])NC2CCCCCC2)s1 ZINC000263108589 268051370 /nfs/dbraw/zinc/05/13/70/268051370.db2.gz KWZOOAHXMXGHFK-UHFFFAOYSA-N 1 0 276.409 2.747 10 30 CFEERO C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2Br)C1 ZINC000214364642 273972025 /nfs/dbraw/zinc/97/20/25/273972025.db2.gz ZWSXEIKIXUDNDZ-LLVKDONJSA-N 1 0 294.196 2.509 10 30 CFEERO C[C@H]([NH3+])[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000132454109 274507751 /nfs/dbraw/zinc/50/77/51/274507751.db2.gz RPKRJTRBWMDHOL-ONGXEEELSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000229602921 274630870 /nfs/dbraw/zinc/63/08/70/274630870.db2.gz MIYCBLWKGWRXPM-SCZZXKLOSA-N 1 0 284.285 2.524 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H](C[NH3+])C1 ZINC000044531679 274919090 /nfs/dbraw/zinc/91/90/90/274919090.db2.gz FZDLLPWJVMKHFX-JTQLQIEISA-N 1 0 283.297 2.752 10 30 CFEERO N#Cc1cnc2ccccc2c1NC1CCC([NH3+])CC1 ZINC000051693620 274930569 /nfs/dbraw/zinc/93/05/69/274930569.db2.gz PUIRRXPKCWSLNX-UHFFFAOYSA-N 1 0 266.348 2.788 10 30 CFEERO CC1(C)CN(c2ccc(Cl)cc2C#N)CC[C@@H]1[NH3+] ZINC000261583762 278343263 /nfs/dbraw/zinc/34/32/63/278343263.db2.gz RYDIUYXPXRSHLB-ZDUSSCGKSA-N 1 0 263.772 2.775 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1[NH+](C)C ZINC000251715081 278801605 /nfs/dbraw/zinc/80/16/05/278801605.db2.gz JQOZMIRDYLBGFR-QMTHXVAHSA-N 1 0 297.324 2.963 10 30 CFEERO N#Cc1cc(N2CCCC[C@@H]2C[NH3+])ccc1C(F)(F)F ZINC000164073145 279505313 /nfs/dbraw/zinc/50/53/13/279505313.db2.gz ZMWQLQFSGLSHIV-GFCCVEGCSA-N 1 0 283.297 2.895 10 30 CFEERO N#Cc1c(Br)cccc1NCC1CC[NH2+]CC1 ZINC000169058478 322390475 /nfs/dbraw/zinc/39/04/75/322390475.db2.gz OSHWSJAEEBALOY-UHFFFAOYSA-N 1 0 294.196 2.732 10 30 CFEERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCSCC#N ZINC000173887912 329153304 /nfs/dbraw/zinc/15/33/04/329153304.db2.gz LAZNJBGDYXHOOL-CQSZACIVSA-N 1 0 292.452 2.821 10 30 CFEERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174839540 329163983 /nfs/dbraw/zinc/16/39/83/329163983.db2.gz WVIKHVQGPFAUAX-CQSZACIVSA-N 1 0 289.427 2.807 10 30 CFEERO CCO[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)C12CCOCC2 ZINC000185664222 329328468 /nfs/dbraw/zinc/32/84/68/329328468.db2.gz WGRCBGDCSKLYMT-GJZGRUSLSA-N 1 0 294.439 2.880 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@](C)(c2ccccc2)C1 ZINC000261718414 329979293 /nfs/dbraw/zinc/97/92/93/329979293.db2.gz IDBVJARZLJZEEH-YSVLISHTSA-N 1 0 271.408 2.634 10 30 CFEERO [NH2+]=C(NC[C@@H]1CC12CCOCC2)Nc1cc(F)ccc1F ZINC000262289156 330004543 /nfs/dbraw/zinc/00/45/43/330004543.db2.gz NDWKPCVOGTWJMS-JTQLQIEISA-N 1 0 295.333 2.508 10 30 CFEERO Cc1c2ccccc2n(C)c1CNC(=[NH2+])NC(C)(C)C ZINC000262427053 330009849 /nfs/dbraw/zinc/00/98/49/330009849.db2.gz CUNGAKRJKNPXID-UHFFFAOYSA-N 1 0 272.396 2.690 10 30 CFEERO CC[C@H](C)NC(N[C@@H]1C[C@H]1c1c(F)cccc1F)=[NH+]C ZINC000262447188 330013569 /nfs/dbraw/zinc/01/35/69/330013569.db2.gz VLNSTXKYQBECJN-OPQQBVKSSA-N 1 0 281.350 2.784 10 30 CFEERO CN(C)C(=[NH+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)N(C)C ZINC000262474931 330016003 /nfs/dbraw/zinc/01/60/03/330016003.db2.gz UWUFCQKJDUGUAK-QWRGUYRKSA-N 1 0 279.350 2.834 10 30 CFEERO CCN(CC)C(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262528940 330019747 /nfs/dbraw/zinc/01/97/47/330019747.db2.gz MNFAQABFBCYVRU-CABZTGNLSA-N 1 0 283.778 2.992 10 30 CFEERO Cc1c(C)c(C)c(CNC2=[NH+]C[C@H](C)N2)c(C)c1C ZINC000262684935 330026992 /nfs/dbraw/zinc/02/69/92/330026992.db2.gz XZQUECAPRMAIST-VIFPVBQESA-N 1 0 259.397 2.666 10 30 CFEERO COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@@]1(C)C(C)C ZINC000263188246 330048096 /nfs/dbraw/zinc/04/80/96/330048096.db2.gz VFQPOIQKIWIMPX-HOCLYGCPSA-N 1 0 275.396 2.994 10 30 CFEERO C#CCOc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000045945698 330350000 /nfs/dbraw/zinc/35/00/00/330350000.db2.gz IQYRWBKILCSSKK-CQSZACIVSA-N 1 0 279.767 2.621 10 30 CFEERO C#CCOc1ccc(C[NH2+]Cc2ccccc2)cc1OC ZINC000045944704 330350034 /nfs/dbraw/zinc/35/00/34/330350034.db2.gz PUDBWPYVTXQTBM-UHFFFAOYSA-N 1 0 281.355 2.997 10 30 CFEERO C#CCOc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000045945503 330350052 /nfs/dbraw/zinc/35/00/52/330350052.db2.gz GSHHYNYYDQIYDK-UHFFFAOYSA-N 1 0 251.329 2.988 10 30 CFEERO C=CCO[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1sccc1C ZINC000253599600 333185790 /nfs/dbraw/zinc/18/57/90/333185790.db2.gz RNZKOLYFJARJLO-IIAWOOMASA-N 1 0 293.432 2.991 10 30 CFEERO C#C[C@@H](CC)[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000229878280 333310587 /nfs/dbraw/zinc/31/05/87/333310587.db2.gz XEIOBAUIGUFMLE-YPMHNXCESA-N 1 0 277.364 2.775 10 30 CFEERO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000250998184 334354461 /nfs/dbraw/zinc/35/44/61/334354461.db2.gz OQLSFHUPCAVHLH-DUVNUKRYSA-N 1 0 258.365 2.908 10 30 CFEERO CC(C)[C@@H](C)[N@H+](C)Cc1cccc(C#CCCO)c1 ZINC000049618604 519791108 /nfs/dbraw/zinc/79/11/08/519791108.db2.gz SDFLAIYDJOQWFW-OAHLLOKOSA-N 1 0 259.393 2.897 10 30 CFEERO CCCCC[N@H+](C)Cc1ccc(F)c(C#CCO)c1 ZINC000049617977 520150894 /nfs/dbraw/zinc/15/08/94/520150894.db2.gz MWYRRLHEGSECES-UHFFFAOYSA-N 1 0 263.356 2.792 10 30 CFEERO CCC[C@@H](C)C(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586695 520616039 /nfs/dbraw/zinc/61/60/39/520616039.db2.gz VBFKAVSZDUUEIV-ZIAGYGMSSA-N 1 0 272.392 2.610 10 30 CFEERO C#CCOc1ccccc1C[NH2+]C[C@H](C)CSC ZINC000069434711 518333140 /nfs/dbraw/zinc/33/31/40/518333140.db2.gz AGQUSZOUJDSAKK-ZDUSSCGKSA-N 1 0 263.406 2.787 10 30 CFEERO CC(C)(C)[NH2+]CCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000050620673 518758669 /nfs/dbraw/zinc/75/86/69/518758669.db2.gz GAKAABXRBQAQBY-UHFFFAOYSA-N 1 0 270.336 2.539 10 30 CFEERO C=CCSc1ccccc1NC(=O)[C@H](C)[NH2+]C ZINC000052395672 519079488 /nfs/dbraw/zinc/07/94/88/519079488.db2.gz WGZHZIUDFNBKDS-JTQLQIEISA-N 1 0 250.367 2.511 10 30 CFEERO C=C[C@@H](C)Oc1c(Br)cccc1C[NH3+] ZINC000052141798 519293853 /nfs/dbraw/zinc/29/38/53/519293853.db2.gz SIUDSZKBHGZVBI-MRVPVSSYSA-N 1 0 256.143 2.861 10 30 CFEERO CC(C)CCC(=O)N[C@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587097 519636637 /nfs/dbraw/zinc/63/66/37/519636637.db2.gz MJJXHSPPLULXEF-CQSZACIVSA-N 1 0 272.392 2.610 10 30 CFEERO CC(C)[C@H]([NH3+])CCN(C)c1c(F)cc(C#N)cc1F ZINC000133581439 519817709 /nfs/dbraw/zinc/81/77/09/519817709.db2.gz SKJQMKJEYKOXLD-CYBMUJFWSA-N 1 0 267.323 2.646 10 30 CFEERO CCCC1CCN(C(=O)c2ccccc2C#CC[NH3+])CC1 ZINC000050907100 519900450 /nfs/dbraw/zinc/90/04/50/519900450.db2.gz HWFRMUDTHURRPS-UHFFFAOYSA-N 1 0 284.403 2.649 10 30 CFEERO CCCC[N@H+](C)Cc1cc(C#CCCO)ccc1OC ZINC000049616377 520421625 /nfs/dbraw/zinc/42/16/25/520421625.db2.gz JGHNFRSLQUFQAP-UHFFFAOYSA-N 1 0 275.392 2.661 10 30 CFEERO CCC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C#CCO ZINC000049613227 520645813 /nfs/dbraw/zinc/64/58/13/520645813.db2.gz XJIGZAIORLXPGU-CYBMUJFWSA-N 1 0 263.356 2.790 10 30 CFEERO CCC[C@H](C)C(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586700 521005148 /nfs/dbraw/zinc/00/51/48/521005148.db2.gz VBFKAVSZDUUEIV-UONOGXRCSA-N 1 0 272.392 2.610 10 30 CFEERO CC1CC[NH+](Cc2ccccc2C#CCCO)CC1 ZINC000049615522 521025336 /nfs/dbraw/zinc/02/53/36/521025336.db2.gz QSYKTPKXPXIPTM-UHFFFAOYSA-N 1 0 257.377 2.652 10 30 CFEERO CCC[C@H](C)[N@H+](C)CCOc1ccc(C#CCCO)cc1 ZINC000049613181 521034223 /nfs/dbraw/zinc/03/42/23/521034223.db2.gz OXIDOQOQJJYWPP-INIZCTEOSA-N 1 0 289.419 2.920 10 30 CFEERO CC[N@H+](Cc1ccc(C#CCCO)cc1F)C(C)C ZINC000049617432 521296633 /nfs/dbraw/zinc/29/66/33/521296633.db2.gz ULWAQTPATLJBMR-UHFFFAOYSA-N 1 0 263.356 2.790 10 30 CFEERO CC[N@H+](Cc1cccc(C#CCO)c1)C1CCCC1 ZINC000049618375 521337559 /nfs/dbraw/zinc/33/75/59/521337559.db2.gz KXJHEYNGLYMPEK-UHFFFAOYSA-N 1 0 257.377 2.795 10 30 CFEERO CC[N@H+](Cc1ccco1)Cc1cccc(C#CCO)c1 ZINC000049614752 521397697 /nfs/dbraw/zinc/39/76/97/521397697.db2.gz MBUKKGIHOJDPLU-UHFFFAOYSA-N 1 0 269.344 2.646 10 30 CFEERO C[NH+](C)C[C@@H]1CCCN1c1cc(Cl)ccc1C#N ZINC000062790100 521843653 /nfs/dbraw/zinc/84/36/53/521843653.db2.gz NSJGZQZGRSQIHS-ZDUSSCGKSA-N 1 0 263.772 2.742 10 30 CFEERO C[NH2+]C[C@@H]1CCCCN1c1cccc(Cl)c1C#N ZINC000063169483 522042154 /nfs/dbraw/zinc/04/21/54/522042154.db2.gz UHWNGGXNEVBOTJ-NSHDSACASA-N 1 0 263.772 2.790 10 30 CFEERO CC[C@@H](C)[N@H+](C)CCOc1ccc(C#CCCO)cc1 ZINC000049617167 522059515 /nfs/dbraw/zinc/05/95/15/522059515.db2.gz VWACQCLXDAFBDD-OAHLLOKOSA-N 1 0 275.392 2.530 10 30 CFEERO CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000049124785 523041890 /nfs/dbraw/zinc/04/18/90/523041890.db2.gz NUNVPXHSMMLIFF-JSGCOSHPSA-N 1 0 290.432 2.757 10 30 CFEERO CC[C@H]1CCC[N@@H+]1CCOc1ccc(C#CCCO)cc1 ZINC000049615103 523109338 /nfs/dbraw/zinc/10/93/38/523109338.db2.gz GIFROVCYZRHEKD-KRWDZBQOSA-N 1 0 287.403 2.674 10 30 CFEERO CC[C@@H]1CCCC[N@@H+]1CCOc1ccc(C#CCO)cc1 ZINC000049617476 523173045 /nfs/dbraw/zinc/17/30/45/523173045.db2.gz YEPJHNMTSTWMID-QGZVFWFLSA-N 1 0 287.403 2.674 10 30 CFEERO CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#CCO ZINC000049617479 523178463 /nfs/dbraw/zinc/17/84/63/523178463.db2.gz CDXNKBFPNLYJKT-QGZVFWFLSA-N 1 0 257.377 2.795 10 30 CFEERO CC[C@@H]1CCCC[N@@H+]1Cc1cc(C#CCO)ccc1OC ZINC000049617487 523179206 /nfs/dbraw/zinc/17/92/06/523179206.db2.gz UVLVQIGZIKBHRY-QGZVFWFLSA-N 1 0 287.403 2.804 10 30 CFEERO CC[C@@H]1CCC[N@H+](Cc2cccc(C#CCO)c2)C1 ZINC000049613071 523253571 /nfs/dbraw/zinc/25/35/71/523253571.db2.gz JSMXZHBHDBWXSJ-OAHLLOKOSA-N 1 0 257.377 2.652 10 30 CFEERO CC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#CCO ZINC000049615159 523269495 /nfs/dbraw/zinc/26/94/95/523269495.db2.gz BADFTIHGDRSEJE-MRXNPFEDSA-N 1 0 261.340 2.544 10 30 CFEERO C[N@H+](Cc1cccs1)Cc1ccc(F)cc1C#CCO ZINC000049618137 523447232 /nfs/dbraw/zinc/44/72/32/523447232.db2.gz RPTFYRIKVODVQY-UHFFFAOYSA-N 1 0 289.375 2.863 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1F ZINC000245412656 523486261 /nfs/dbraw/zinc/48/62/61/523486261.db2.gz AUMQTNDKOFDWDZ-CVEARBPZSA-N 1 0 287.382 2.756 10 30 CFEERO COc1ccc(C#CCCO)cc1C[N@H+](C)[C@H](C)C(C)C ZINC000049618553 523511407 /nfs/dbraw/zinc/51/14/07/523511407.db2.gz RDKMJUUELNAJEU-OAHLLOKOSA-N 1 0 289.419 2.905 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1CN(C)c1ccccc1 ZINC000049608420 523512918 /nfs/dbraw/zinc/51/29/18/523512918.db2.gz MXUGSBBDHFASTI-UHFFFAOYSA-N 1 0 280.371 2.642 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1NC(=O)CC1CCCC1 ZINC000049587363 523516184 /nfs/dbraw/zinc/51/61/84/523516184.db2.gz RGDLYKQMRSQLKP-UHFFFAOYSA-N 1 0 286.375 2.524 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1COc1ccc(C)cc1 ZINC000049610639 523516615 /nfs/dbraw/zinc/51/66/15/523516615.db2.gz SHWRCBJPJOKBJP-UHFFFAOYSA-N 1 0 281.355 2.893 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1NC(=O)C1CCCCC1 ZINC000049587358 523517668 /nfs/dbraw/zinc/51/76/68/523517668.db2.gz WHKYQEJAGMTWSM-UHFFFAOYSA-N 1 0 286.375 2.524 10 30 CFEERO COc1ccc(C)cc1COc1cccc(C#CC[NH3+])c1 ZINC000050707075 523813747 /nfs/dbraw/zinc/81/37/47/523813747.db2.gz VZGIYTWEECMRCK-UHFFFAOYSA-N 1 0 281.355 2.893 10 30 CFEERO COc1ccc(C)cc1COc1ccccc1C#CC[NH3+] ZINC000050707069 523813938 /nfs/dbraw/zinc/81/39/38/523813938.db2.gz SROZVLUPQSQQQB-UHFFFAOYSA-N 1 0 281.355 2.893 10 30 CFEERO CC[C@H](C)[N@H+](CC)Cc1ccc(OC)c(C#CCO)c1 ZINC000049617604 523933837 /nfs/dbraw/zinc/93/38/37/523933837.db2.gz PBAKMCCNGXWKGH-AWEZNQCLSA-N 1 0 275.392 2.659 10 30 CFEERO C[NH+](C)CCCCNc1ccc(Cl)cc1C#N ZINC000052858231 524052986 /nfs/dbraw/zinc/05/29/86/524052986.db2.gz OVOVHRDFXWIFQV-UHFFFAOYSA-N 1 0 251.761 2.965 10 30 CFEERO C[C@H]1CCC[C@](CO)([NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054829963 524224912 /nfs/dbraw/zinc/22/49/12/524224912.db2.gz OKQAHGGCWBJHEZ-YJNKXOJESA-N 1 0 250.386 2.600 10 30 CFEERO Cc1cccc(NC[C@@H]2CCN(c3ccc(C#N)cn3)C2)[nH+]1 ZINC000195513667 524678644 /nfs/dbraw/zinc/67/86/44/524678644.db2.gz GJLGEEDTRPELCI-HNNXBMFYSA-N 1 0 293.374 2.595 10 30 CFEERO C[C@H](Cc1ccsc1)[NH2+]Cc1cccnc1C#N ZINC000061658232 524761450 /nfs/dbraw/zinc/76/14/50/524761450.db2.gz RHNYMQUHZMBZLY-LLVKDONJSA-N 1 0 257.362 2.736 10 30 CFEERO Cc1ccc(N(C)Cc2ccc(C#CC[NH3+])cc2)cc1 ZINC000050006600 524888592 /nfs/dbraw/zinc/88/85/92/524888592.db2.gz BSUZKETYSMRABH-UHFFFAOYSA-N 1 0 264.372 2.942 10 30 CFEERO C[C@H](NC(=O)c1ccc(C#CC[NH3+])cc1)C1CCCCC1 ZINC000052344705 525206226 /nfs/dbraw/zinc/20/62/26/525206226.db2.gz BIVCTCQBEXKEEY-AWEZNQCLSA-N 1 0 284.403 2.695 10 30 CFEERO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@H]1CCCO1 ZINC000162618077 525435150 /nfs/dbraw/zinc/43/51/50/525435150.db2.gz CBLXZJNDKUITAJ-IINYFYTJSA-N 1 0 264.756 2.869 10 30 CFEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1sccc1C#CCO ZINC000050566738 525641180 /nfs/dbraw/zinc/64/11/80/525641180.db2.gz LYHNUPPOSGAEBW-QWHCGFSZSA-N 1 0 263.406 2.712 10 30 CFEERO Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000050430450 526002711 /nfs/dbraw/zinc/00/27/11/526002711.db2.gz PYNVRWAGEIBQFV-YCPHGPKFSA-N 1 0 283.375 2.726 10 30 CFEERO Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000050430448 526003817 /nfs/dbraw/zinc/00/38/17/526003817.db2.gz PYNVRWAGEIBQFV-DZKIICNBSA-N 1 0 283.375 2.726 10 30 CFEERO C[C@H]1CC(C[NH2+]Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000341447563 526227277 /nfs/dbraw/zinc/22/72/77/526227277.db2.gz AJXWHCCZGLJZOC-QWRGUYRKSA-N 1 0 264.394 2.913 10 30 CFEERO C[C@H]1CCCC[N@@H+]1CCOc1ccc(C#CCCO)cc1 ZINC000049615693 526250774 /nfs/dbraw/zinc/25/07/74/526250774.db2.gz OORUXEVMZUBMNA-INIZCTEOSA-N 1 0 287.403 2.674 10 30 CFEERO C[C@H]1CCCC[N@@H+]1CCOc1cccc(C#CCCO)c1 ZINC000049615688 526251001 /nfs/dbraw/zinc/25/10/01/526251001.db2.gz UHHWFADICDNULM-INIZCTEOSA-N 1 0 287.403 2.674 10 30 CFEERO N#CCOc1ccc(C[NH2+]CCC(F)(F)F)cc1 ZINC000063099454 526475261 /nfs/dbraw/zinc/47/52/61/526475261.db2.gz KBOYOXVPKNMUSJ-UHFFFAOYSA-N 1 0 258.243 2.631 10 30 CFEERO N#C[C@H]1CC[C@@H](c2ccccc2)C[C@H]1[N@@H+]1CC[C@H](O)C1 ZINC000061710375 526513458 /nfs/dbraw/zinc/51/34/58/526513458.db2.gz WHCHBLZWXOUHRI-WCXIOVBPSA-N 1 0 270.376 2.529 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261719631 526546753 /nfs/dbraw/zinc/54/67/53/526546753.db2.gz PYDVUZGJVMCDHA-BIMULSAOSA-N 1 0 295.308 2.751 10 30 CFEERO N#Cc1ccc(OC[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000051883052 526677666 /nfs/dbraw/zinc/67/76/66/526677666.db2.gz WXOAEHRTHXCENA-JTQLQIEISA-N 1 0 284.281 2.955 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1COCCc1cccs1 ZINC000049611182 527149256 /nfs/dbraw/zinc/14/92/56/527149256.db2.gz ZCLXJVLXIYVLAM-UHFFFAOYSA-N 1 0 289.375 2.957 10 30 CFEERO [NH3+]CC#Cc1ccc2cc(OC3CCOCC3)ccc2c1 ZINC000069310454 527152038 /nfs/dbraw/zinc/15/20/38/527152038.db2.gz ZRVNAWQSZDLOSF-UHFFFAOYSA-N 1 0 281.355 2.708 10 30 CFEERO [NH3+]CC#Cc1cccc(COc2ccccc2F)c1 ZINC000049610452 527153497 /nfs/dbraw/zinc/15/34/97/527153497.db2.gz QKZUQFKENUKAGV-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO [NH3+]CC#Cc1ccccc1COc1ccc(F)c(F)c1 ZINC000049611076 527154971 /nfs/dbraw/zinc/15/49/71/527154971.db2.gz VGKYHAFJZFQQGB-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192058491 527441922 /nfs/dbraw/zinc/44/19/22/527441922.db2.gz GCMYPYCCOXSBEM-INIZCTEOSA-N 1 0 298.365 2.867 10 30 CFEERO OCC#Cc1cccc(C[NH+]2CCCCCCC2)c1 ZINC000049617070 527519080 /nfs/dbraw/zinc/51/90/80/527519080.db2.gz DFQGGSBXYFDVJZ-UHFFFAOYSA-N 1 0 257.377 2.797 10 30 CFEERO CC1(C)CC[NH+](Cc2cc(C#CCO)cs2)CC1 ZINC000061821303 618280899 /nfs/dbraw/zinc/28/08/99/618280899.db2.gz JKIRKPBUNIUPMF-UHFFFAOYSA-N 1 0 263.406 2.714 10 30 CFEERO C[NH2+]CC1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000063166328 618972694 /nfs/dbraw/zinc/97/26/94/618972694.db2.gz CNGFEGVCEJPKFX-UHFFFAOYSA-N 1 0 263.772 2.647 10 30 CFEERO CC[NH+]=C(N[C@H](C)Cc1ccc(C)s1)N[C@@H]1C[C@H]1C ZINC000261792691 619271141 /nfs/dbraw/zinc/27/11/41/619271141.db2.gz QOHNNWKJQUIVPV-JTNHKYCSSA-N 1 0 279.453 2.951 10 30 CFEERO C[NH+]=C(N[C@@H](C)c1ccc(C)c(F)c1)NC1CCC1 ZINC000261957639 619351209 /nfs/dbraw/zinc/35/12/09/619351209.db2.gz JFYLBXSKZFBAMQ-NSHDSACASA-N 1 0 263.360 2.913 10 30 CFEERO C[C@@H](Nc1nc2ccccc2cc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000071386062 625510492 /nfs/dbraw/zinc/51/04/92/625510492.db2.gz RLIGSVOTPSEZTI-TZMCWYRMSA-N 1 0 280.375 2.906 10 30 CFEERO CC(C)[C@@H]([NH3+])CCN(C)c1nc2ccccc2cc1C#N ZINC000156782501 622964736 /nfs/dbraw/zinc/96/47/36/622964736.db2.gz JCOWPYGYUCYDKF-HNNXBMFYSA-N 1 0 282.391 2.916 10 30 CFEERO C#CCOc1ccc(C[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000154088015 624261944 /nfs/dbraw/zinc/26/19/44/624261944.db2.gz ORCXIMALCZZFQZ-YJBOKZPZSA-N 1 0 286.419 2.517 10 30 CFEERO C#CCC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000069768360 625218525 /nfs/dbraw/zinc/21/85/25/625218525.db2.gz WVVTWFNGGHRRGH-UHFFFAOYSA-N 1 0 268.154 2.571 10 30 CFEERO CC[N@@H+]1CCC[C@H](Nc2snc(Cl)c2C#N)C1 ZINC000112075803 635274255 /nfs/dbraw/zinc/27/42/55/635274255.db2.gz ZELUTZUHFZBCIM-QMMMGPOBSA-N 1 0 270.789 2.564 10 30 CFEERO C#CCOc1ccc([C@H](C)[NH2+]CCn2cc(C)cn2)cc1 ZINC000123861604 641505107 /nfs/dbraw/zinc/50/51/07/641505107.db2.gz KUTPROISSQFYIE-HNNXBMFYSA-N 1 0 283.375 2.554 10 30 CFEERO CCCCCCCC[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000246997924 650893518 /nfs/dbraw/zinc/89/35/18/650893518.db2.gz NBOPJCUDRQCODC-INIZCTEOSA-N 1 0 270.461 2.999 10 30 CFEERO C#CCCOc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000093437518 650939089 /nfs/dbraw/zinc/93/90/89/650939089.db2.gz GMBAUDFFNSGDEZ-FUHWJXTLSA-N 1 0 298.430 2.757 10 30 CFEERO C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H]1CCC[NH2+]C1 ZINC000094337363 650956546 /nfs/dbraw/zinc/95/65/46/650956546.db2.gz BTAYXLSJHSSQGM-ONGXEEELSA-N 1 0 298.312 2.772 10 30 CFEERO C[C@]1(CNc2nc3ccccc3cc2C#N)CCC[NH2+]C1 ZINC000129300916 645146656 /nfs/dbraw/zinc/14/66/56/645146656.db2.gz ZPRCKKFNBUUFKG-KRWDZBQOSA-N 1 0 280.375 2.908 10 30 CFEERO Cc1nc(NCC[C@@H]([NH3+])C(C)C)c(Cl)cc1C#N ZINC000596030423 349778462 /nfs/dbraw/zinc/77/84/62/349778462.db2.gz ZBGCOOZAKBZCPJ-GFCCVEGCSA-N 1 0 266.776 2.700 10 30 CFEERO CC[NH+](CC)CCCNc1cc(C)nc(C)c1C#N ZINC000127342724 187298195 /nfs/dbraw/zinc/29/81/95/187298195.db2.gz OTTPHINKXIVRTD-UHFFFAOYSA-N 1 0 260.385 2.714 10 30 CFEERO Cn1nccc1C1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000119515162 232196650 /nfs/dbraw/zinc/19/66/50/232196650.db2.gz SDVQIZWDCAQWGV-UHFFFAOYSA-N 1 0 298.365 2.810 10 30 CFEERO C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037321035 346328754 /nfs/dbraw/zinc/32/87/54/346328754.db2.gz YTUDDRAUYOYUEF-LSDHHAIUSA-N 1 0 261.365 2.645 10 30 CFEERO CCNC(=[NH2+])Nc1cc(Br)ccc1Cl ZINC000061693534 346681592 /nfs/dbraw/zinc/68/15/92/346681592.db2.gz LPABAAQZUVNIEN-UHFFFAOYSA-N 1 0 276.565 2.658 10 30 CFEERO CCCCCCCCC[NH2+]CCCS(C)(=O)=O ZINC000103376369 185833639 /nfs/dbraw/zinc/83/36/39/185833639.db2.gz DHAHHNPDERPPIO-UHFFFAOYSA-N 1 0 263.447 2.761 10 30 CFEERO CCc1ccc([C@H](C)[NH2+]CC(=O)N(CC)CCC#N)cc1 ZINC000154934024 347983793 /nfs/dbraw/zinc/98/37/93/347983793.db2.gz YZUQMXYYTPPUER-AWEZNQCLSA-N 1 0 287.407 2.662 10 30 CFEERO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000165498263 348040283 /nfs/dbraw/zinc/04/02/83/348040283.db2.gz VOKDTMDKSZUDBW-MSOLQXFVSA-N 1 0 284.403 2.994 10 30 CFEERO C#CCOC[C@H](O)C[N@H+](Cc1ccc(C)s1)[C@@H](C)CC ZINC000169678016 348051739 /nfs/dbraw/zinc/05/17/39/348051739.db2.gz BJYDSNDJZITGCK-DZGCQCFKSA-N 1 0 295.448 2.668 10 30 CFEERO CC[C@H]1CN(c2cc(C#N)c3ccccc3n2)CC[C@H]1[NH3+] ZINC000251836947 348294047 /nfs/dbraw/zinc/29/40/47/348294047.db2.gz QKSODJXGFNBBEH-SWLSCSKDSA-N 1 0 280.375 2.670 10 30 CFEERO O[C@@]1(C#Cc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000306174013 348384374 /nfs/dbraw/zinc/38/43/74/348384374.db2.gz MCDXDSMYUCMYPJ-IBGZPJMESA-N 1 0 277.367 2.675 10 30 CFEERO N#Cc1ccc(Cl)cc1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311627569 348413494 /nfs/dbraw/zinc/41/34/94/348413494.db2.gz YJSSLEYUKQVJMX-WFASDCNBSA-N 1 0 275.783 2.777 10 30 CFEERO C[C@@H]([NH3+])C[C@@H](C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000320485417 348436965 /nfs/dbraw/zinc/43/69/65/348436965.db2.gz HKVLILXCQSEDFL-HTQZYQBOSA-N 1 0 272.274 2.510 10 30 CFEERO Cc1ccc(S(=O)(=O)O[C@@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC000584601545 348685510 /nfs/dbraw/zinc/68/55/10/348685510.db2.gz XGIDNKYKUHPTQG-HUUCEWRRSA-N 1 0 297.420 2.573 10 30 CFEERO CCCCCCC[N@@H+]1CCN2C(=O)N(CC)CC[C@@H]2C1 ZINC000584640064 348699687 /nfs/dbraw/zinc/69/96/87/348699687.db2.gz IXXXCNRSGWGIGM-OAHLLOKOSA-N 1 0 281.444 2.789 10 30 CFEERO CC1([NH3+])CCN(c2cccc(Br)c2C#N)CC1 ZINC000591434423 349020807 /nfs/dbraw/zinc/02/08/07/349020807.db2.gz GLYCLRHKPMGLRE-UHFFFAOYSA-N 1 0 294.196 2.638 10 30 CFEERO C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594428330 349418888 /nfs/dbraw/zinc/41/88/88/349418888.db2.gz YECPYVPNKXSZDZ-BXUZGUMPSA-N 1 0 293.798 2.928 10 30 CFEERO C#CC[C@H]([NH3+])C(=O)NCCCCCCCCCC ZINC000106253008 186105225 /nfs/dbraw/zinc/10/52/25/186105225.db2.gz WKZUVRKZILGVNL-AWEZNQCLSA-N 1 0 252.402 2.594 10 30 CFEERO N#Cc1ccc(N2CCCCC[C@@H]([NH3+])C2)cc1Cl ZINC000600959231 350637390 /nfs/dbraw/zinc/63/73/90/350637390.db2.gz UQFUMNKADKCCLR-GFCCVEGCSA-N 1 0 263.772 2.919 10 30 CFEERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000600962528 350637729 /nfs/dbraw/zinc/63/77/29/350637729.db2.gz FUXJJNJFAZWOFK-PSASIEDQSA-N 1 0 269.270 2.503 10 30 CFEERO C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C[NH3+] ZINC000600961737 350638043 /nfs/dbraw/zinc/63/80/43/350638043.db2.gz VUYNCHPDSALXIK-ONGXEEELSA-N 1 0 283.297 2.608 10 30 CFEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc(Cl)cc1C#N)C2 ZINC000600956127 350636809 /nfs/dbraw/zinc/63/68/09/350636809.db2.gz NRXINZJKMUFDDY-GASCZTMLSA-N 1 0 275.783 2.647 10 30 CFEERO N#Cc1cc(F)c(N2CCCCC[C@@H]([NH3+])C2)c(F)c1 ZINC000600958742 350637104 /nfs/dbraw/zinc/63/71/04/350637104.db2.gz IWRUKWOWQISLPN-LLVKDONJSA-N 1 0 265.307 2.544 10 30 CFEERO C[C@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000123997718 187117641 /nfs/dbraw/zinc/11/76/41/187117641.db2.gz GSAWLCUCWIRZJU-HZMBPMFUSA-N 1 0 263.772 2.598 10 30 CFEERO C[C@H](Nc1c(F)cc(C#N)cc1F)[C@H]1CCC[NH2+]C1 ZINC000133670324 187699649 /nfs/dbraw/zinc/69/96/49/187699649.db2.gz UHJLBDNDNPYHLR-ONGXEEELSA-N 1 0 265.307 2.636 10 30 CFEERO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000152874388 188049945 /nfs/dbraw/zinc/04/99/45/188049945.db2.gz WDYQGOIJXCXWKW-VBQJREDUSA-N 1 0 273.376 2.917 10 30 CFEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000154542342 188148523 /nfs/dbraw/zinc/14/85/23/188148523.db2.gz WMMGPNXQVNMUIM-SFHVURJKSA-N 1 0 297.377 2.847 10 30 CFEERO N#Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1C(F)(F)F ZINC000261610775 283106599 /nfs/dbraw/zinc/10/65/99/283106599.db2.gz DUYVGVWTLITSGT-HZMBPMFUSA-N 1 0 295.308 2.765 10 30 CFEERO N#Cc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000246639154 283163176 /nfs/dbraw/zinc/16/31/76/283163176.db2.gz GZGHNVXRHGDLEN-LBPRGKRZSA-N 1 0 295.308 2.861 10 30 CFEERO Cc1ccc(C(=O)/C=C\[n+]2ccc(N(C)C)cc2)cc1 ZINC000033374004 372493131 /nfs/dbraw/zinc/49/31/31/372493131.db2.gz KOTPCARFGHUBKO-RAXLEYEMSA-N 1 0 267.352 2.702 10 30 CFEERO C=CCC[C@@H](O)C[N@@H+](CCCOC)Cc1ccc(F)cc1 ZINC000036031247 372554387 /nfs/dbraw/zinc/55/43/87/372554387.db2.gz FDOMAJRKRGNZCJ-QGZVFWFLSA-N 1 0 295.398 2.991 10 30 CFEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000037978085 372745652 /nfs/dbraw/zinc/74/56/52/372745652.db2.gz GDXXGUUOHNSLPH-STQMWFEESA-N 1 0 260.381 2.590 10 30 CFEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000042269358 372898308 /nfs/dbraw/zinc/89/83/08/372898308.db2.gz QDVGJVCADGIAKD-DTWKUNHWSA-N 1 0 272.801 2.743 10 30 CFEERO N#Cc1ccc(C[NH2+]Cc2ccc(O)cc2)c(F)c1 ZINC000083414870 374742165 /nfs/dbraw/zinc/74/21/65/374742165.db2.gz BJVPKUDCRFJQKT-UHFFFAOYSA-N 1 0 256.280 2.693 10 30 CFEERO C[C@@H]1C[C@](O)(C#CSc2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000256006436 190001476 /nfs/dbraw/zinc/00/14/76/190001476.db2.gz VGLYEXWKUDZFMV-SQWLQELKSA-N 1 0 275.417 2.831 10 30 CFEERO CCCCCCCCCCCC[NH2+]C[C@@H](O)CO ZINC000100311035 375618148 /nfs/dbraw/zinc/61/81/48/375618148.db2.gz VWGWFMQZURGKKK-OAHLLOKOSA-N 1 0 259.434 2.850 10 30 CFEERO Nc1ccc(Cl)cc1/C(=[NH+]/CCO)c1ccccc1 ZINC000100373342 375620790 /nfs/dbraw/zinc/62/07/90/375620790.db2.gz DRRPSTDRWJZCBV-OBGWFSINSA-N 1 0 274.751 2.752 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(F)c(C#N)c1 ZINC000121642208 376875505 /nfs/dbraw/zinc/87/55/05/376875505.db2.gz WHJZAVLSWYWFJX-HNNXBMFYSA-N 1 0 275.371 2.613 10 30 CFEERO C[C@@]1(CNc2c(F)cc(C#N)cc2F)CCC[NH2+]C1 ZINC000129294867 377409868 /nfs/dbraw/zinc/40/98/68/377409868.db2.gz PZRXBIGWTOIRPV-CQSZACIVSA-N 1 0 265.307 2.638 10 30 CFEERO CC#CC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134848903 378052841 /nfs/dbraw/zinc/05/28/41/378052841.db2.gz JQMPCDWWYYHHIV-HNNXBMFYSA-N 1 0 259.324 2.886 10 30 CFEERO C[NH+](C)C[C@@H](NCc1ccc(C#N)o1)c1ccccc1 ZINC000135136144 378087911 /nfs/dbraw/zinc/08/79/11/378087911.db2.gz IDDMKXLWYQVGHH-MRXNPFEDSA-N 1 0 269.348 2.544 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1F ZINC000175056969 379987086 /nfs/dbraw/zinc/98/70/86/379987086.db2.gz AUMQTNDKOFDWDZ-HZPDHXFCSA-N 1 0 287.382 2.756 10 30 CFEERO C=CCCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000175134884 380003513 /nfs/dbraw/zinc/00/35/13/380003513.db2.gz SIRMRUFUMLZPCU-OAHLLOKOSA-N 1 0 260.381 2.762 10 30 CFEERO C=CCCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000175134871 380003770 /nfs/dbraw/zinc/00/37/70/380003770.db2.gz SIRMRUFUMLZPCU-HNNXBMFYSA-N 1 0 260.381 2.762 10 30 CFEERO C[C@@H](CCCC[NH3+])Nc1c(F)cc(C#N)cc1F ZINC000336787819 380634421 /nfs/dbraw/zinc/63/44/21/380634421.db2.gz FVCCHOUDYHJDJP-VIFPVBQESA-N 1 0 253.296 2.766 10 30 CFEERO CCCC[C@@H](C[NH3+])Nc1ncc(Br)cc1C#N ZINC000336720564 380612174 /nfs/dbraw/zinc/61/21/74/380612174.db2.gz SDCPWZLQKSVJQP-NSHDSACASA-N 1 0 297.200 2.645 10 30 CFEERO CCc1ccc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1 ZINC000181475022 380801602 /nfs/dbraw/zinc/80/16/02/380801602.db2.gz OJTAZDREXZAEPN-AWEZNQCLSA-N 1 0 287.407 2.662 10 30 CFEERO C=CCCCCCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000290238532 381353845 /nfs/dbraw/zinc/35/38/45/381353845.db2.gz ZFFXGAPEBWHLEW-UHFFFAOYSA-N 1 0 265.401 2.963 10 30 CFEERO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000187696389 382249514 /nfs/dbraw/zinc/24/95/14/382249514.db2.gz OHZIZLXOUIEXKR-BBRMVZONSA-N 1 0 280.375 2.842 10 30 CFEERO N#Cc1cc(Cl)ccc1N[C@H](CC[NH3+])C(F)F ZINC000383433881 382545086 /nfs/dbraw/zinc/54/50/86/382545086.db2.gz IHBAPFYBQNBHBJ-SNVBAGLBSA-N 1 0 259.687 2.606 10 30 CFEERO CC[NH2+][C@H](C)CNc1ccc(Br)cc1C#N ZINC000387450625 382598663 /nfs/dbraw/zinc/59/86/63/382598663.db2.gz NBCCJRVJHGUKEQ-SECBINFHSA-N 1 0 282.185 2.731 10 30 CFEERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(C(F)(F)F)cc1C#N ZINC000389716758 382616034 /nfs/dbraw/zinc/61/60/34/382616034.db2.gz AIMFYGSYPILKOB-NOZJJQNGSA-N 1 0 283.297 2.987 10 30 CFEERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000389721292 382616349 /nfs/dbraw/zinc/61/63/49/382616349.db2.gz GDGCFFBIKBMGAF-NOZJJQNGSA-N 1 0 283.297 2.987 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC#Cc1ccccc1 ZINC000192119077 382704899 /nfs/dbraw/zinc/70/48/99/382704899.db2.gz LKIVZOXGJHLOGF-QZTJIDSGSA-N 1 0 268.404 2.597 10 30 CFEERO Cc1ccc([C@H](C)NCC(=O)Nc2cccc(C#N)c2)o1 ZINC000193635614 382721929 /nfs/dbraw/zinc/72/19/29/382721929.db2.gz WRYSBMSNZYUDGS-LBPRGKRZSA-N 1 0 283.331 2.749 10 30 CFEERO C[C@H](CCCC[NH3+])Nc1nc2c(cc1C#N)CCCC2 ZINC000336829299 382725657 /nfs/dbraw/zinc/72/56/57/382725657.db2.gz CIUKDDYNCDSPFE-GFCCVEGCSA-N 1 0 272.396 2.761 10 30 CFEERO C[C@H](CCCC[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000336833845 382727424 /nfs/dbraw/zinc/72/74/24/382727424.db2.gz PHUHVLAUHCWSSD-SECBINFHSA-N 1 0 286.301 2.901 10 30 CFEERO C=CCCC[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195284084 382766086 /nfs/dbraw/zinc/76/60/86/382766086.db2.gz XVKAGWXZRSDNJC-KRWDZBQOSA-N 1 0 273.424 2.802 10 30 CFEERO C#C[C@@H]([NH3+])c1ccc(I)c(Cl)c1 ZINC000232361436 382868667 /nfs/dbraw/zinc/86/86/67/382868667.db2.gz IXMACOOYDLNAAC-SECBINFHSA-N 1 0 291.519 2.578 10 30 CFEERO N#Cc1ccc(NCC2([NH3+])CCC2)c(Br)c1 ZINC000236185314 382893079 /nfs/dbraw/zinc/89/30/79/382893079.db2.gz SJPSHLQJBFRIMV-UHFFFAOYSA-N 1 0 280.169 2.614 10 30 CFEERO C=CCCC[C@@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245876134 383043463 /nfs/dbraw/zinc/04/34/63/383043463.db2.gz KFRQRMGJHDPXCQ-CABCVRRESA-N 1 0 279.428 2.611 10 30 CFEERO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248588947 383267149 /nfs/dbraw/zinc/26/71/49/383267149.db2.gz KMBFGSCROCBNOV-MELADBBJSA-N 1 0 280.412 2.798 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cccc(C#N)c1 ZINC000252661556 383424357 /nfs/dbraw/zinc/42/43/57/383424357.db2.gz LZXODYGWYBGBDR-YOEHRIQHSA-N 1 0 269.392 2.617 10 30 CFEERO C[C@@H]1CCN(c2cc(Cl)ccc2C#N)C[C@H]1C[NH3+] ZINC000253194873 383448005 /nfs/dbraw/zinc/44/80/05/383448005.db2.gz QVSCSZWHZBIDKS-ZYHUDNBSSA-N 1 0 263.772 2.633 10 30 CFEERO N#Cc1cc(Br)ccc1C[NH2+]C1CC1 ZINC000260783216 383506344 /nfs/dbraw/zinc/50/63/44/383506344.db2.gz JONTYDYXVOVNIL-UHFFFAOYSA-N 1 0 251.127 2.573 10 30 CFEERO C[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)[C@H](C)[NH3+] ZINC000261580755 383518944 /nfs/dbraw/zinc/51/89/44/383518944.db2.gz QEHJDPPUZYCBBR-JGVFFNPUSA-N 1 0 257.259 2.725 10 30 CFEERO C[C@]1(C[NH3+])CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000261867116 383572591 /nfs/dbraw/zinc/57/25/91/383572591.db2.gz YORJYNUAFLEVIH-CYBMUJFWSA-N 1 0 283.297 2.752 10 30 CFEERO C=CCOc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1Cl ZINC000262101911 383604660 /nfs/dbraw/zinc/60/46/60/383604660.db2.gz VQUGMAJOGLRWIB-RISCZKNCSA-N 1 0 280.799 2.684 10 30 CFEERO C=CCC(C)(C)C[NH2+]Cc1csc(COC)n1 ZINC000645186287 385231824 /nfs/dbraw/zinc/23/18/24/385231824.db2.gz ZPHSWWQGHHRSDZ-UHFFFAOYSA-N 1 0 254.399 2.981 10 30 CFEERO C[C@H]1CN(c2ccc(Cl)cc2C#N)C[C@H]1[NH+](C)C ZINC000251863777 131131903 /nfs/dbraw/zinc/13/19/03/131131903.db2.gz SSGPOYSYNJNXEP-IINYFYTJSA-N 1 0 263.772 2.598 10 30 CFEERO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000186204287 393542153 /nfs/dbraw/zinc/54/21/53/393542153.db2.gz TYLKUMQPWNYRFB-KRWDZBQOSA-N 1 0 280.375 2.937 10 30 CFEERO C/C(=N\O)c1ccc2c(c1)C[C@H]([NH+]1CCCCC1)C2 ZINC000223857724 393766615 /nfs/dbraw/zinc/76/66/15/393766615.db2.gz LZPLVICOBAUCSV-QRYYFKOISA-N 1 0 258.365 2.838 10 30 CFEERO Cn1nccc1C1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000092810563 393792082 /nfs/dbraw/zinc/79/20/82/393792082.db2.gz TUHZRVPGCLRGMT-UHFFFAOYSA-N 1 0 286.404 2.733 10 30 CFEERO N#CCSCCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000174159671 394377778 /nfs/dbraw/zinc/37/77/78/394377778.db2.gz OTNMVOFVKSDQKL-CYBMUJFWSA-N 1 0 264.398 2.584 10 30 CFEERO C=CCOc1ccccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000037988720 397550816 /nfs/dbraw/zinc/55/08/16/397550816.db2.gz YIXXRNFCULJLQZ-HNNXBMFYSA-N 1 0 261.365 2.910 10 30 CFEERO C#CCOC[C@H](O)C[N@H+](Cc1ccc(C)cc1)[C@H](C)CC ZINC000104974170 397596452 /nfs/dbraw/zinc/59/64/52/397596452.db2.gz BYWQWYJDGNOUOC-SJLPKXTDSA-N 1 0 289.419 2.606 10 30 CFEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000661119242 413769828 /nfs/dbraw/zinc/76/98/28/413769828.db2.gz QIDOKHUYLUGQPT-QLFBSQMISA-N 1 0 269.429 2.887 10 30 CFEERO N#Cc1cc(N[C@@H]2C[NH+]3CCC2CC3)ccc1Cl ZINC000036973495 172840680 /nfs/dbraw/zinc/84/06/80/172840680.db2.gz XWDABGUHKXMAKU-CQSZACIVSA-N 1 0 261.756 2.718 10 30 CFEERO CCCCC[N@H+](C)Cc1ccc(/C(N)=N/O)cc1F ZINC000037171718 173005517 /nfs/dbraw/zinc/00/55/17/173005517.db2.gz CXESBMPRIFRBEU-UHFFFAOYSA-N 1 0 267.348 2.542 10 30 CFEERO C#CCN1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000037220911 173039470 /nfs/dbraw/zinc/03/94/70/173039470.db2.gz LUQAKGFDXKVXCT-HNNXBMFYSA-N 1 0 256.393 2.743 10 30 CFEERO C=COCCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037239111 173056123 /nfs/dbraw/zinc/05/61/23/173056123.db2.gz MHNCFDGTEGKKMT-CYBMUJFWSA-N 1 0 260.337 2.790 10 30 CFEERO C=CCOc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)CC)cc1 ZINC000037495598 173235137 /nfs/dbraw/zinc/23/51/37/173235137.db2.gz YEYLHPGMMGFWGC-AWEZNQCLSA-N 1 0 290.407 2.598 10 30 CFEERO [NH3+]CC#Cc1ccc(OCCc2ccccc2)cc1 ZINC000037547946 173264469 /nfs/dbraw/zinc/26/44/69/173264469.db2.gz VUDJDUHKJZWJIZ-UHFFFAOYSA-N 1 0 251.329 2.618 10 30 CFEERO N#Cc1ccccc1COc1cccc(CC[NH3+])c1 ZINC000037721227 173639549 /nfs/dbraw/zinc/63/95/49/173639549.db2.gz SRFRCUJOGFCISU-UHFFFAOYSA-N 1 0 252.317 2.638 10 30 CFEERO C=C(C)COc1c(OC)cc(C[C@H](C)[NH3+])cc1OC ZINC000037728662 173648310 /nfs/dbraw/zinc/64/83/10/173648310.db2.gz PUSUEDYGABXNSF-NSHDSACASA-N 1 0 265.353 2.548 10 30 CFEERO CC[NH+](CC)CCN[C@@H](C#N)c1ccc(Cl)cc1 ZINC000037940982 173880128 /nfs/dbraw/zinc/88/01/28/173880128.db2.gz XRPPXDSMLXQKGT-AWEZNQCLSA-N 1 0 265.788 2.836 10 30 CFEERO C[C@H](C[NH2+]Cc1cccc(OCC#N)c1)N1CCCCC1 ZINC000038028965 174018057 /nfs/dbraw/zinc/01/80/57/174018057.db2.gz LQFPUBAZNIMOQY-OAHLLOKOSA-N 1 0 287.407 2.553 10 30 CFEERO CC(C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000040414383 174255558 /nfs/dbraw/zinc/25/55/58/174255558.db2.gz VICAPQPRLKGEKM-SNVBAGLBSA-N 1 0 291.420 2.681 10 30 CFEERO C#CCN1CCC([NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000040518294 174307792 /nfs/dbraw/zinc/30/77/92/174307792.db2.gz ZUWFJFXMLXUWRU-GFCCVEGCSA-N 1 0 277.437 2.508 10 30 CFEERO C[NH2+]CCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000040853018 174421833 /nfs/dbraw/zinc/42/18/33/174421833.db2.gz WUCOHZNIGBBSFE-SNVBAGLBSA-N 1 0 291.420 2.683 10 30 CFEERO COc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)cc1C#CCO ZINC000042780138 174876345 /nfs/dbraw/zinc/87/63/45/174876345.db2.gz KHFRCFRURQVMLK-AWEZNQCLSA-N 1 0 289.419 2.905 10 30 CFEERO C=C(C)COc1cc2c(cc1C[C@@H]([NH3+])CC)OCO2 ZINC000042878795 174901717 /nfs/dbraw/zinc/90/17/17/174901717.db2.gz LCDYDTYAUVGIQR-LBPRGKRZSA-N 1 0 263.337 2.650 10 30 CFEERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)C[C@H](C)C#N ZINC000042946685 174922014 /nfs/dbraw/zinc/92/20/14/174922014.db2.gz LULBDTGBXSDHMZ-JTNHKYCSSA-N 1 0 265.788 2.820 10 30 CFEERO COc1cc(C#N)ccc1O[C@@H](c1ccco1)[C@H](C)[NH3+] ZINC000043336663 175012515 /nfs/dbraw/zinc/01/25/15/175012515.db2.gz NDSILCOOVDKSSR-ZUZCIYMTSA-N 1 0 272.304 2.627 10 30 CFEERO COc1cc(C#N)ccc1O[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336664 175012580 /nfs/dbraw/zinc/01/25/80/175012580.db2.gz NDSILCOOVDKSSR-MEBBXXQBSA-N 1 0 272.304 2.627 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)c1ccccn1 ZINC000043343830 175016147 /nfs/dbraw/zinc/01/61/47/175016147.db2.gz JOFWIOQHYLMWJD-CJNGLKHVSA-N 1 0 285.322 2.950 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)c1ccccn1 ZINC000043343829 175016157 /nfs/dbraw/zinc/01/61/57/175016157.db2.gz JOFWIOQHYLMWJD-BBRMVZONSA-N 1 0 285.322 2.950 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1cccc(C#N)c1)c1ccncc1 ZINC000043355756 175023497 /nfs/dbraw/zinc/02/34/97/175023497.db2.gz KPUAZOFMFVXXQC-HZPDHXFCSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)C(F)(F)F ZINC000043383802 175031417 /nfs/dbraw/zinc/03/14/17/175031417.db2.gz ULBWTMRKBDCTGR-QWRGUYRKSA-N 1 0 258.243 2.605 10 30 CFEERO CC(C)(C)CC(C)(C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000043438583 175045782 /nfs/dbraw/zinc/04/57/82/175045782.db2.gz JVJJWUTUGNAPLB-UHFFFAOYSA-N 1 0 286.419 2.941 10 30 CFEERO C[C@H](C#N)Oc1ccc(C[NH2+]C2CC2)cc1Cl ZINC000043513934 175061573 /nfs/dbraw/zinc/06/15/73/175061573.db2.gz RFAUBGFACKAIPZ-SECBINFHSA-N 1 0 250.729 2.883 10 30 CFEERO CC[C@H](C#N)Oc1c(C[C@@H]([NH3+])CC)cccc1OC ZINC000043543622 175064237 /nfs/dbraw/zinc/06/42/37/175064237.db2.gz FHRSJSATHMLFDF-QWHCGFSZSA-N 1 0 262.353 2.656 10 30 CFEERO CC(C)C[C@@H](C)N(C)C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043583158 175070602 /nfs/dbraw/zinc/07/06/02/175070602.db2.gz JTCRUGGNXYKMDU-CYBMUJFWSA-N 1 0 290.382 2.643 10 30 CFEERO CC(C)CC[N@H+](C)Cc1sccc1C#CCO ZINC000043678571 175088965 /nfs/dbraw/zinc/08/89/65/175088965.db2.gz FPGNWQZBWVJDSH-UHFFFAOYSA-N 1 0 251.395 2.570 10 30 CFEERO CC(C)[C@@H](C)[N@H+](C)Cc1sccc1C#CCCO ZINC000043679736 175090129 /nfs/dbraw/zinc/09/01/29/175090129.db2.gz FFPRPSONBREYLT-CYBMUJFWSA-N 1 0 265.422 2.958 10 30 CFEERO CCC(CC)[N@H+](CCOC)Cc1ccc(C#CCO)s1 ZINC000043682040 175090819 /nfs/dbraw/zinc/09/08/19/175090819.db2.gz ORPLBQPAZZNNHX-UHFFFAOYSA-N 1 0 295.448 2.729 10 30 CFEERO [NH3+]CC#Cc1ccsc1COc1ccccc1F ZINC000043684760 175093297 /nfs/dbraw/zinc/09/32/97/175093297.db2.gz JNLINKBWTFJOCN-UHFFFAOYSA-N 1 0 261.321 2.776 10 30 CFEERO [NH3+]CC#Cc1csc(COc2ccc(F)cc2F)c1 ZINC000043689232 175096226 /nfs/dbraw/zinc/09/62/26/175096226.db2.gz MNWOXKKBMAHIIT-UHFFFAOYSA-N 1 0 279.311 2.916 10 30 CFEERO CC[C@@H](C)C[N@H+](C)Cc1cc(C#CCCO)cs1 ZINC000043698576 175096753 /nfs/dbraw/zinc/09/67/53/175096753.db2.gz XTMTZRHAOGGEDO-CYBMUJFWSA-N 1 0 265.422 2.960 10 30 CFEERO CCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO ZINC000044386777 175170254 /nfs/dbraw/zinc/17/02/54/175170254.db2.gz JWOGAYKGDUNEHP-LSDHHAIUSA-N 1 0 259.434 2.978 10 30 CFEERO CC[N@@H+]1CC[C@H](CNc2nc3c(cc2C#N)CCCC3)C1 ZINC000044419969 175173863 /nfs/dbraw/zinc/17/38/63/175173863.db2.gz NZOIRAXMNWNCSM-CYBMUJFWSA-N 1 0 284.407 2.586 10 30 CFEERO N#Cc1cnc2ccccc2c1NC[C@@H]1CCCC[NH2+]1 ZINC000044493495 175181474 /nfs/dbraw/zinc/18/14/74/175181474.db2.gz WRFDZMIZWQJCDN-ZDUSSCGKSA-N 1 0 266.348 2.660 10 30 CFEERO COc1ccc(C#CCCO)cc1C[N@H+](C)CC(C)(C)C ZINC000045086797 175303998 /nfs/dbraw/zinc/30/39/98/175303998.db2.gz LGYNIRYRCPPAIO-UHFFFAOYSA-N 1 0 289.419 2.907 10 30 CFEERO C=CCN(CC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000076667945 177051988 /nfs/dbraw/zinc/05/19/88/177051988.db2.gz IYLBQNVETYPNGF-UHFFFAOYSA-N 1 0 259.180 2.940 10 30 CFEERO CC#CCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000158307054 260886151 /nfs/dbraw/zinc/88/61/51/260886151.db2.gz LHVSBLDRHNRSEU-UHFFFAOYSA-N 1 0 296.164 2.681 10 30 CFEERO CC[NH+]=C(NCCc1c(C)[nH]c2ccccc21)N[C@@H]1C[C@H]1C ZINC000262698554 262784501 /nfs/dbraw/zinc/78/45/01/262784501.db2.gz FPEUSSPNTUKJBJ-SJKOYZFVSA-N 1 0 298.434 2.982 10 30 CFEERO C[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000302265969 274591828 /nfs/dbraw/zinc/59/18/28/274591828.db2.gz FWFPCTLYHUPNCG-IINYFYTJSA-N 1 0 297.324 2.963 10 30 CFEERO C[NH2+]CCC1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000261819029 277266208 /nfs/dbraw/zinc/26/62/08/277266208.db2.gz AMWVYHZSSSBTIK-UHFFFAOYSA-N 1 0 294.402 2.932 10 30 CFEERO Cc1ccc(C#N)c(NC[C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000162066872 322360426 /nfs/dbraw/zinc/36/04/26/322360426.db2.gz VTNQCXWZJNYBLZ-OAHLLOKOSA-N 1 0 272.396 2.794 10 30 CFEERO N#Cc1cc(N[C@H](CC[NH3+])C(F)F)ccc1C(F)(F)F ZINC000383346698 324439185 /nfs/dbraw/zinc/43/91/85/324439185.db2.gz ZQLZDQXGGAIZIE-SNVBAGLBSA-N 1 0 293.239 2.971 10 30 CFEERO Cc1sc(CNC(=[NH2+])NC2CCCC2)nc1C(C)C ZINC000262306430 330005297 /nfs/dbraw/zinc/00/52/97/330005297.db2.gz MIKSOGHJEHFYHQ-UHFFFAOYSA-N 1 0 280.441 2.922 10 30 CFEERO COCc1ccccc1NC(=[NH2+])NC[C@H]1CCCSC1 ZINC000262324262 330006199 /nfs/dbraw/zinc/00/61/99/330006199.db2.gz SMICABUMLYUBCM-GFCCVEGCSA-N 1 0 293.436 2.703 10 30 CFEERO [NH2+]=C(N[C@@H]1COc2ccc(F)cc21)NC1CCCCCC1 ZINC000262335129 330006594 /nfs/dbraw/zinc/00/65/94/330006594.db2.gz BQOIKWZEGRHNGP-CQSZACIVSA-N 1 0 291.370 2.886 10 30 CFEERO [NH2+]=C(NC[C@H]1CCO[C@@H]1c1ccccc1)Nc1ccccn1 ZINC000262436660 330012783 /nfs/dbraw/zinc/01/27/83/330012783.db2.gz XKSNDRVNXPGCMK-GDBMZVCRSA-N 1 0 296.374 2.586 10 30 CFEERO C=CC[C@@H](C)[C@H](C)[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263504319 330058116 /nfs/dbraw/zinc/05/81/16/330058116.db2.gz LOJYUMGRVQWKEA-SQHUISNBSA-N 1 0 294.439 2.504 10 30 CFEERO C=C[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000245608192 334206896 /nfs/dbraw/zinc/20/68/96/334206896.db2.gz ATMFIKIUVSJASU-DOTOQJQBSA-N 1 0 286.419 2.947 10 30 CFEERO C=CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000249560156 334336690 /nfs/dbraw/zinc/33/66/90/334336690.db2.gz LJHJGJHJAWAATA-DLBZAZTESA-N 1 0 286.419 2.947 10 30 CFEERO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000250998187 334354404 /nfs/dbraw/zinc/35/44/04/334354404.db2.gz OQLSFHUPCAVHLH-NOLJZWGESA-N 1 0 258.365 2.908 10 30 CFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCCOCc1ccccc1 ZINC000342781566 335186841 /nfs/dbraw/zinc/18/68/41/335186841.db2.gz MKKHCPDOLMWOMR-JKSUJKDBSA-N 1 0 258.365 2.875 10 30 CFEERO C#C[C@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000382902883 336098724 /nfs/dbraw/zinc/09/87/24/336098724.db2.gz FUBTZJJVKIGIDC-KBPBESRZSA-N 1 0 285.309 2.986 10 30 CFEERO C=C(Br)CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190427 518581245 /nfs/dbraw/zinc/58/12/45/518581245.db2.gz GUZRLEIOPSFKHF-RYUDHWBXSA-N 1 0 273.218 2.502 10 30 CFEERO CC(C)N[C@H](C#N)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000062435323 519738177 /nfs/dbraw/zinc/73/81/77/519738177.db2.gz POYQPOMULFBNRS-XHSDSOJGSA-N 1 0 263.429 2.779 10 30 CFEERO C[NH2+]C[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000596033319 500783636 /nfs/dbraw/zinc/78/36/36/500783636.db2.gz UDTCNEDUFAQNCG-MRVPVSSYSA-N 1 0 257.259 2.597 10 30 CFEERO CCC[NH+](CCC)Cc1cc(C#CCO)ccc1OC ZINC000049616299 521649263 /nfs/dbraw/zinc/64/92/63/521649263.db2.gz ZWGFAABOFUQEGK-UHFFFAOYSA-N 1 0 275.392 2.661 10 30 CFEERO C#CC[C@H](Cc1cccc(Br)c1)[NH2+]C ZINC000051074975 518338846 /nfs/dbraw/zinc/33/88/46/518338846.db2.gz IONDWGZOOJEWCY-GFCCVEGCSA-N 1 0 252.155 2.603 10 30 CFEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](CC)C1CCCCC1 ZINC000052339442 518922974 /nfs/dbraw/zinc/92/29/74/518922974.db2.gz BDDIWZDKEXJNHH-GXTWGEPZSA-N 1 0 252.402 2.626 10 30 CFEERO CC(C)C[C@H](C[NH3+])Nc1cc(C#N)c2ccccc2n1 ZINC000068771327 519345997 /nfs/dbraw/zinc/34/59/97/519345997.db2.gz GGTNIABZLCAEMJ-CYBMUJFWSA-N 1 0 268.364 2.892 10 30 CFEERO CC(C)CC[C@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000069235789 519690993 /nfs/dbraw/zinc/69/09/93/519690993.db2.gz SOCSEBDLAJQKMH-AWEZNQCLSA-N 1 0 272.392 2.551 10 30 CFEERO CC(C)CSCCOc1ccc(C#CC[NH3+])cc1 ZINC000049611454 519769545 /nfs/dbraw/zinc/76/95/45/519769545.db2.gz IXUQZTLGVNRUHF-UHFFFAOYSA-N 1 0 263.406 2.765 10 30 CFEERO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049618590 519791136 /nfs/dbraw/zinc/79/11/36/519791136.db2.gz ZBRKDOBGXPSVIG-CYBMUJFWSA-N 1 0 263.356 2.646 10 30 CFEERO CC(C)[C@@H]([NH3+])CCN(C)c1nc2c(cc1C#N)CCCC2 ZINC000156790055 519796456 /nfs/dbraw/zinc/79/64/56/519796456.db2.gz GQSBSFVWJGZTAP-HNNXBMFYSA-N 1 0 286.423 2.642 10 30 CFEERO CC(C)[C@H](C)[N@H+](C)CCOc1ccc(C#CCCO)cc1 ZINC000049618544 519811842 /nfs/dbraw/zinc/81/18/42/519811842.db2.gz NNSAYUMNFZOPHM-INIZCTEOSA-N 1 0 289.419 2.776 10 30 CFEERO CCC1CC[NH+](Cc2ccc(F)cc2C#CCO)CC1 ZINC000049614990 519859487 /nfs/dbraw/zinc/85/94/87/519859487.db2.gz JNJAOTQHYYQNSN-UHFFFAOYSA-N 1 0 275.367 2.792 10 30 CFEERO CCCCCC(=O)Nc1cc(C#CC[NH3+])ccc1OC ZINC000049587331 519936971 /nfs/dbraw/zinc/93/69/71/519936971.db2.gz HMSMIIPTNSJGMH-UHFFFAOYSA-N 1 0 274.364 2.524 10 30 CFEERO CCCN[C@@H](C#N)CC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000062437372 519982746 /nfs/dbraw/zinc/98/27/46/519982746.db2.gz OXMSEWNENPNQIS-RRFJBIMHSA-N 1 0 251.418 2.779 10 30 CFEERO CCCCC[C@H](C)NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000049105953 520307316 /nfs/dbraw/zinc/30/73/16/520307316.db2.gz IMTYETPTCCBQJU-ZDUSSCGKSA-N 1 0 290.382 2.835 10 30 CFEERO CCCC[N@H+](Cc1cc(C#CCO)ccc1OC)C1CC1 ZINC000049613880 520542858 /nfs/dbraw/zinc/54/28/58/520542858.db2.gz HEUBSMKCBLVTRZ-UHFFFAOYSA-N 1 0 287.403 2.804 10 30 CFEERO CCC[C@@H](C)[N@H+](C)CCOc1ccc(C#CCO)cc1 ZINC000049613203 520646634 /nfs/dbraw/zinc/64/66/34/520646634.db2.gz KZDCEDRKQZDQFY-OAHLLOKOSA-N 1 0 275.392 2.530 10 30 CFEERO CCC([NH3+])(CC)CNc1nc(C)c(C#N)cc1Cl ZINC000261590346 521650311 /nfs/dbraw/zinc/65/03/11/521650311.db2.gz WXTANYWOVCCQIB-UHFFFAOYSA-N 1 0 266.776 2.845 10 30 CFEERO CC[C@H](C)SCCOc1ccc(C#CC[NH3+])cc1 ZINC000049611205 521782444 /nfs/dbraw/zinc/78/24/44/521782444.db2.gz IYJHQLPVIBAJMG-ZDUSSCGKSA-N 1 0 263.406 2.907 10 30 CFEERO CC[C@@H](C)[NH+]1CCN([C@H]2CCCCC[C@@H]2C#N)CC1 ZINC000055066474 522130553 /nfs/dbraw/zinc/13/05/53/522130553.db2.gz YVKWSSDXMYMZJT-OAGGEKHMSA-N 1 0 263.429 2.875 10 30 CFEERO CC[C@H](NC(=O)c1ccccc1C#CC[NH3+])c1cccs1 ZINC000049533323 522543862 /nfs/dbraw/zinc/54/38/62/522543862.db2.gz NZPNYPPYZDOEJQ-HNNXBMFYSA-N 1 0 298.411 2.939 10 30 CFEERO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#CCO)cc1 ZINC000049617485 523027309 /nfs/dbraw/zinc/02/73/09/523027309.db2.gz DFIYHFZSRIURJK-KRWDZBQOSA-N 1 0 257.377 2.795 10 30 CFEERO CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000049617509 523029708 /nfs/dbraw/zinc/02/97/08/523029708.db2.gz PJISRZBGMJOENS-INIZCTEOSA-N 1 0 275.367 2.934 10 30 CFEERO CC[C@H]1CCC[N@H+](Cc2ccccc2C#CCO)C1 ZINC000049613045 523092680 /nfs/dbraw/zinc/09/26/80/523092680.db2.gz KFDPXYCYOHOLMW-HNNXBMFYSA-N 1 0 257.377 2.652 10 30 CFEERO CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049124768 523196098 /nfs/dbraw/zinc/19/60/98/523196098.db2.gz BRIPCCWLLVWQJC-WBVHZDCISA-N 1 0 284.403 2.695 10 30 CFEERO CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000049124735 523196388 /nfs/dbraw/zinc/19/63/88/523196388.db2.gz KCRPZLNEAUHJCE-WBVHZDCISA-N 1 0 284.403 2.695 10 30 CFEERO CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(C#CCO)c2)C1 ZINC000049613058 523252755 /nfs/dbraw/zinc/25/27/55/523252755.db2.gz GMPZHOOFHAYHGV-OAHLLOKOSA-N 1 0 287.403 2.661 10 30 CFEERO CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#CCO)c2)C1 ZINC000049613083 523253039 /nfs/dbraw/zinc/25/30/39/523253039.db2.gz UPBPCZUSAHFGBB-CQSZACIVSA-N 1 0 275.367 2.792 10 30 CFEERO C[N@H+](Cc1ccoc1)Cc1ccc(C#CCCO)cc1 ZINC000049614312 523474507 /nfs/dbraw/zinc/47/45/07/523474507.db2.gz GFCAXCHHIFQKCL-UHFFFAOYSA-N 1 0 269.344 2.646 10 30 CFEERO COc1ccc(C#CCO)cc1C[N@H+](C)C1CCCCC1 ZINC000049616489 523516006 /nfs/dbraw/zinc/51/60/06/523516006.db2.gz DYVLPCSDAJZHGX-UHFFFAOYSA-N 1 0 287.403 2.804 10 30 CFEERO COc1ccc(C#CCO)cc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000049616641 523519928 /nfs/dbraw/zinc/51/99/28/523519928.db2.gz INECQFUQDPAJIZ-HUUCEWRRSA-N 1 0 287.403 2.517 10 30 CFEERO CC[C@@]1(C(=O)Nc2cc(Cl)ccc2C#N)CC[NH2+]C1 ZINC000062892083 523697286 /nfs/dbraw/zinc/69/72/86/523697286.db2.gz NBSSLPSBAHRNSR-CQSZACIVSA-N 1 0 277.755 2.540 10 30 CFEERO COc1ccc(C[NH+]2CCCCCC2)cc1C#CCCO ZINC000049616123 524025874 /nfs/dbraw/zinc/02/58/74/524025874.db2.gz MAPYIPLSVUPSTE-UHFFFAOYSA-N 1 0 287.403 2.805 10 30 CFEERO C[C@@H]1CCCC[C@@H]1OCCOc1cccc(C#CC[NH3+])c1 ZINC000049610690 524150678 /nfs/dbraw/zinc/15/06/78/524150678.db2.gz LACGVDPGWDCLSX-QAPCUYQASA-N 1 0 287.403 2.971 10 30 CFEERO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(C#CCO)c1 ZINC000049616918 524190865 /nfs/dbraw/zinc/19/08/65/524190865.db2.gz LRPVRKATXVMCTM-GJZGRUSLSA-N 1 0 257.377 2.793 10 30 CFEERO Cc1cc(C)c(C#N)c(N[C@@H](C[NH+](C)C)C(C)C)n1 ZINC000049218600 524216437 /nfs/dbraw/zinc/21/64/37/524216437.db2.gz HVNLMWVOFMHBCK-AWEZNQCLSA-N 1 0 260.385 2.568 10 30 CFEERO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C#N)[C@@H]1C ZINC000050564740 524220398 /nfs/dbraw/zinc/22/03/98/524220398.db2.gz OHINANPKCIFKQT-CHWSQXEVSA-N 1 0 271.364 2.617 10 30 CFEERO C[C@@H]1CCC[N@H+](Cc2sccc2C#CCO)[C@@H]1C ZINC000050566737 524237371 /nfs/dbraw/zinc/23/73/71/524237371.db2.gz LYHNUPPOSGAEBW-CHWSQXEVSA-N 1 0 263.406 2.712 10 30 CFEERO Cc1ccc(CN(C)Cc2ccc(C#CC[NH3+])cc2F)o1 ZINC000049609111 524394702 /nfs/dbraw/zinc/39/47/02/524394702.db2.gz ODQDCQCQBUJZKK-UHFFFAOYSA-N 1 0 286.350 2.669 10 30 CFEERO Cc1cccc(OCc2ccccc2C#CC[NH3+])c1 ZINC000049610494 524765001 /nfs/dbraw/zinc/76/50/01/524765001.db2.gz DUGOQLKHNXCPAW-UHFFFAOYSA-N 1 0 251.329 2.884 10 30 CFEERO C[C@H](NC(=O)c1ccc(C#CC[NH3+])s1)C1CCCCC1 ZINC000052344711 525206021 /nfs/dbraw/zinc/20/60/21/525206021.db2.gz GSQIACTYBNQNMY-LBPRGKRZSA-N 1 0 290.432 2.757 10 30 CFEERO COc1cccc(OCc2ccc(F)c(C#CC[NH3+])c2)c1 ZINC000049610438 526236429 /nfs/dbraw/zinc/23/64/29/526236429.db2.gz ITCVEPNYKVMPGA-UHFFFAOYSA-N 1 0 285.318 2.724 10 30 CFEERO Cc1nnc(SCc2ccc(F)c(C#CC[NH3+])c2)s1 ZINC000049611580 526386475 /nfs/dbraw/zinc/38/64/75/526386475.db2.gz CYJDEXKZLMIXNX-UHFFFAOYSA-N 1 0 293.392 2.588 10 30 CFEERO N#Cc1c(Br)cccc1NC[C@H]1CCC[NH2+]C1 ZINC000169058298 526517113 /nfs/dbraw/zinc/51/71/13/526517113.db2.gz LARRATILZCJTTQ-JTQLQIEISA-N 1 0 294.196 2.732 10 30 CFEERO N#Cc1cc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000061815473 526575600 /nfs/dbraw/zinc/57/56/00/526575600.db2.gz WARZXPJUUNFUCQ-KRWDZBQOSA-N 1 0 279.343 2.607 10 30 CFEERO N#Cc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1F ZINC000192075986 526616613 /nfs/dbraw/zinc/61/66/13/526616613.db2.gz GLVBWMNZWDQWSG-WBVHZDCISA-N 1 0 288.366 2.824 10 30 CFEERO N#Cc1cccc(OCc2ccc(F)cc2C#CC[NH3+])c1 ZINC000049610634 526729000 /nfs/dbraw/zinc/72/90/00/526729000.db2.gz PYNQDXOQAAKNSH-UHFFFAOYSA-N 1 0 280.302 2.587 10 30 CFEERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)no1 ZINC000195517850 526920662 /nfs/dbraw/zinc/92/06/62/526920662.db2.gz ZDUSMDARODPLNT-INIZCTEOSA-N 1 0 296.374 2.704 10 30 CFEERO [NH3+]CC#Cc1cc(COc2ccccc2F)ccc1F ZINC000049610454 527146953 /nfs/dbraw/zinc/14/69/53/527146953.db2.gz ADUHGVZKJLSNPA-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1COc1ccccc1F ZINC000049610453 527148631 /nfs/dbraw/zinc/14/86/31/527148631.db2.gz GXGPAMNUXNGSKR-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO [NH3+]CC#Cc1ccc(COCc2ccccc2)cc1 ZINC000049610343 527150286 /nfs/dbraw/zinc/15/02/86/527150286.db2.gz KTCKDKCTPUQMLG-UHFFFAOYSA-N 1 0 251.329 2.714 10 30 CFEERO [NH3+]CC#Cc1ccc(COCc2ccccc2F)cc1 ZINC000069285284 527150669 /nfs/dbraw/zinc/15/06/69/527150669.db2.gz HKOCXZQTZLWHBO-UHFFFAOYSA-N 1 0 269.319 2.853 10 30 CFEERO [NH3+]CC#Cc1ccc(COCc2ccccc2F)c(F)c1 ZINC000069285269 527150849 /nfs/dbraw/zinc/15/08/49/527150849.db2.gz AEIHJINKWAQYSU-UHFFFAOYSA-N 1 0 287.309 2.992 10 30 CFEERO [NH3+]CC#Cc1csc(COc2cccc(F)c2F)c1 ZINC000062652437 527156498 /nfs/dbraw/zinc/15/64/98/527156498.db2.gz YTPXIQQHKWTPCX-UHFFFAOYSA-N 1 0 279.311 2.916 10 30 CFEERO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)cc1 ZINC000153753664 618124664 /nfs/dbraw/zinc/12/46/64/618124664.db2.gz HZSREJRREUIDII-LESCRADOSA-N 1 0 287.403 2.900 10 30 CFEERO CCCCCCCC[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186674247 618262993 /nfs/dbraw/zinc/26/29/93/618262993.db2.gz XRLGUWXKMLEBED-UHFFFAOYSA-N 1 0 284.444 2.828 10 30 CFEERO N#Cc1cc2c(nc1NCC1([NH3+])CCCCC1)CCC2 ZINC000261664913 619196464 /nfs/dbraw/zinc/19/64/64/619196464.db2.gz FKHNDBSBQVIZEK-UHFFFAOYSA-N 1 0 270.380 2.515 10 30 CFEERO C[NH+]=C(N[C@H](C)c1ccc(C)c(F)c1)N[C@@H]1C[C@H]1C ZINC000261937747 619330078 /nfs/dbraw/zinc/33/00/78/619330078.db2.gz CWADNZJCHCCFAS-JTNHKYCSSA-N 1 0 263.360 2.769 10 30 CFEERO COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H]2C#N)c1O ZINC000228678014 623156625 /nfs/dbraw/zinc/15/66/25/623156625.db2.gz NIRLLXSHMUDEFH-CABZTGNLSA-N 1 0 280.755 2.836 10 30 CFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000231950234 623376325 /nfs/dbraw/zinc/37/63/25/623376325.db2.gz WMFZGMZAYFLURS-RKDXNWHRSA-N 1 0 252.305 2.911 10 30 CFEERO C[C@H]1CN(c2ccc(C#N)cc2Cl)C[C@H]1[NH+](C)C ZINC000251848958 626160602 /nfs/dbraw/zinc/16/06/02/626160602.db2.gz RGFYSKXYVFPSIP-IINYFYTJSA-N 1 0 263.772 2.598 10 30 CFEERO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000119191080 637523215 /nfs/dbraw/zinc/52/32/15/637523215.db2.gz KNEOOLABZPIVQQ-CABCVRRESA-N 1 0 286.419 2.674 10 30 CFEERO C#CCCOc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000245556233 650822936 /nfs/dbraw/zinc/82/29/36/650822936.db2.gz IXONWURWKIXDKL-SFHVURJKSA-N 1 0 298.430 2.759 10 30 CFEERO C#CCOc1ccccc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245689289 650829650 /nfs/dbraw/zinc/82/96/50/650829650.db2.gz BBOIJXHRNXEYQL-PKOBYXMFSA-N 1 0 299.414 2.826 10 30 CFEERO Cc1ccc(C#N)c(NCC[NH2+]C2CCCCCC2)n1 ZINC000133549578 646143027 /nfs/dbraw/zinc/14/30/27/646143027.db2.gz GYPNGTGSKBUPON-UHFFFAOYSA-N 1 0 272.396 2.986 10 30 CFEERO C[C@@H]1Cc2ccccc2N1C(=O)C[N+](C)(C)C1CCCC1 ZINC000029413619 717118477 /nfs/dbraw/zinc/11/84/77/717118477.db2.gz LHGKLRUOYFIRCW-CQSZACIVSA-N 1 0 287.427 2.983 10 30 CFEERO N#Cc1ccc(N2CCC(CC[NH3+])CC2)cc1Cl ZINC000070188614 346907757 /nfs/dbraw/zinc/90/77/57/346907757.db2.gz FKWCTGRIHIRXRO-UHFFFAOYSA-N 1 0 263.772 2.777 10 30 CFEERO N#Cc1cc(Cl)ccc1N1CCC(CC[NH3+])CC1 ZINC000070188682 346907908 /nfs/dbraw/zinc/90/79/08/346907908.db2.gz LBMRQIJCMNAKDF-UHFFFAOYSA-N 1 0 263.772 2.777 10 30 CFEERO COc1cccc(OCC[NH2+][C@H]2CCCC[C@H]2C#N)c1 ZINC000595694713 349705736 /nfs/dbraw/zinc/70/57/36/349705736.db2.gz PBMBLTMVQAFXMZ-BBRMVZONSA-N 1 0 274.364 2.746 10 30 CFEERO C[NH2+]C[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000596031216 349778558 /nfs/dbraw/zinc/77/85/58/349778558.db2.gz CJTRKODIZWZYHO-QMMMGPOBSA-N 1 0 257.259 2.597 10 30 CFEERO N#Cc1cc(N[C@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000127875420 187338713 /nfs/dbraw/zinc/33/87/13/187338713.db2.gz NZQNIJVBCBNAHN-CQSZACIVSA-N 1 0 288.351 2.786 10 30 CFEERO CN(C)c1ccc2c(c1)O[C@H]1CC(=[N+](C)C)CC[C@H]1C2 ZINC000503940411 282296889 /nfs/dbraw/zinc/29/68/89/282296889.db2.gz VNWOEODVWFGGPQ-GUYCJALGSA-N 1 0 273.400 2.569 10 30 CFEERO C#CC[N@@H+](CCC)[C@@H]1CCc2c(cccc2OC)C1 ZINC000038920132 346340517 /nfs/dbraw/zinc/34/05/17/346340517.db2.gz ZVHIJOVVHDSZNQ-OAHLLOKOSA-N 1 0 257.377 2.898 10 30 CFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000054826207 346577383 /nfs/dbraw/zinc/57/73/83/346577383.db2.gz GOHFARVKQYHXJX-DZGCQCFKSA-N 1 0 273.336 2.809 10 30 CFEERO CC[C@H]1CN(c2ccc(Cl)cc2C#N)CC[C@@H]1[NH3+] ZINC000122937262 347817517 /nfs/dbraw/zinc/81/75/17/347817517.db2.gz BVKBBRLBSKDMRN-GWCFXTLKSA-N 1 0 263.772 2.775 10 30 CFEERO C=C(C)[C@@H]([NH3+])c1ccccc1I ZINC000131419519 347877972 /nfs/dbraw/zinc/87/79/72/347877972.db2.gz YLXTUKNLAAQWNV-SNVBAGLBSA-N 1 0 273.117 2.867 10 30 CFEERO COc1ccc(CO/C(NC(C)C)=[NH+]/C(C)C)cc1 ZINC000139424040 347919748 /nfs/dbraw/zinc/91/97/48/347919748.db2.gz UBRSLLXSCXOHKT-UHFFFAOYSA-N 1 0 264.369 2.974 10 30 CFEERO C=C(Br)COc1ccc(C[C@H]([NH3+])CC)nc1 ZINC000086795632 179335906 /nfs/dbraw/zinc/33/59/06/179335906.db2.gz BYFPYUVRODTDPD-SNVBAGLBSA-N 1 0 285.185 2.649 10 30 CFEERO CC[NH2+]CCCNc1cccc(Br)c1C#N ZINC000165074814 348037930 /nfs/dbraw/zinc/03/79/30/348037930.db2.gz FEWWTBSCMQVBIE-UHFFFAOYSA-N 1 0 282.185 2.732 10 30 CFEERO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000172908655 348104159 /nfs/dbraw/zinc/10/41/59/348104159.db2.gz WOTYXAICLFEFFG-DLBZAZTESA-N 1 0 290.451 2.969 10 30 CFEERO C[Si](C)(C)C#Cc1cncc(N2CC[NH+](C3CC3)CC2)c1 ZINC000208796818 348157262 /nfs/dbraw/zinc/15/72/62/348157262.db2.gz PRTRNTGWUZBDQD-UHFFFAOYSA-N 1 0 299.494 2.595 10 30 CFEERO C=C[C@H]([NH3+])c1cccc(C)c1I ZINC000229299465 348199904 /nfs/dbraw/zinc/19/99/04/348199904.db2.gz IYJIKVYIGJACIS-VIFPVBQESA-N 1 0 273.117 2.785 10 30 CFEERO CC[C@@H]1CN(c2cc(C#N)c3ccccc3n2)CC[C@H]1[NH3+] ZINC000251836946 348293529 /nfs/dbraw/zinc/29/35/29/348293529.db2.gz QKSODJXGFNBBEH-IUODEOHRSA-N 1 0 280.375 2.670 10 30 CFEERO O[C@]1(C#Cc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000306174014 348384216 /nfs/dbraw/zinc/38/42/16/348384216.db2.gz MCDXDSMYUCMYPJ-LJQANCHMSA-N 1 0 277.367 2.675 10 30 CFEERO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H]1CCc2nccn2C1 ZINC000328643519 348441892 /nfs/dbraw/zinc/44/18/92/348441892.db2.gz RIKVHQDZIGXHJJ-CYBMUJFWSA-N 1 0 298.365 2.588 10 30 CFEERO C[C@H](C#N)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390870223 348543599 /nfs/dbraw/zinc/54/35/99/348543599.db2.gz RBFXVABWSINLHF-CCNLRDMRSA-N 1 0 283.419 2.931 10 30 CFEERO CC[C@H]([NH3+])[C@@H](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000584645047 348700887 /nfs/dbraw/zinc/70/08/87/348700887.db2.gz KDPMCJNEIJLNBA-ZANVPECISA-N 1 0 279.771 2.914 10 30 CFEERO CCCC[NH+](CCCC)C[C@@]1(C=O)CCCOC1 ZINC000104317349 185966841 /nfs/dbraw/zinc/96/68/41/185966841.db2.gz FDUYKEOBCIMLCF-OAHLLOKOSA-N 1 0 255.402 2.884 10 30 CFEERO N#Cc1ccc(Cl)cc1N1CCC[C@@H](CC[NH3+])C1 ZINC000070171247 283149758 /nfs/dbraw/zinc/14/97/58/283149758.db2.gz UJSLNOAESVNAIJ-NSHDSACASA-N 1 0 263.772 2.777 10 30 CFEERO N#Cc1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000252868790 283171707 /nfs/dbraw/zinc/17/17/07/283171707.db2.gz RPWGHDMJOJVTEK-CORIIIEPSA-N 1 0 275.783 2.775 10 30 CFEERO CN1CCC([N@H+](C)CCCCC2(C#N)CCC2)CC1 ZINC000675075776 540674122 /nfs/dbraw/zinc/67/41/22/540674122.db2.gz UZJOMIZLWVINRY-UHFFFAOYSA-N 1 0 263.429 2.877 10 30 CFEERO N#C[C@H]1CCC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054823756 373530934 /nfs/dbraw/zinc/53/09/34/373530934.db2.gz SGNKNIVNFUOYSA-AEFFLSMTSA-N 1 0 283.419 2.933 10 30 CFEERO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061891866 373736427 /nfs/dbraw/zinc/73/64/27/373736427.db2.gz OQLSFHUPCAVHLH-JGGQBBKZSA-N 1 0 258.365 2.908 10 30 CFEERO C[C@H](Nc1cc(C#N)c2ccccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000068770908 374038364 /nfs/dbraw/zinc/03/83/64/374038364.db2.gz YKSRXWVUDHMQTR-QWHCGFSZSA-N 1 0 280.375 2.906 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(C#N)cc1F ZINC000092628705 375130569 /nfs/dbraw/zinc/13/05/69/375130569.db2.gz IRYLEBQNSRXZPJ-HNNXBMFYSA-N 1 0 275.371 2.613 10 30 CFEERO CCn1cc(C2CC[NH+](Cc3ccc(C#N)o3)CC2)cn1 ZINC000092809213 375158399 /nfs/dbraw/zinc/15/83/99/375158399.db2.gz DXOWTDKHGVFOGS-UHFFFAOYSA-N 1 0 284.363 2.747 10 30 CFEERO C[C@H]([NH3+])C1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000094337439 375352636 /nfs/dbraw/zinc/35/26/36/375352636.db2.gz LZGYJVGRFWZIEJ-VIFPVBQESA-N 1 0 298.312 2.536 10 30 CFEERO N#C[C@@H]1CCC[C@@H]1NCc1cncc(Br)c1 ZINC000124977127 377106523 /nfs/dbraw/zinc/10/65/23/377106523.db2.gz OWWOFWSLRYEFJD-JQWIXIFHSA-N 1 0 280.169 2.626 10 30 CFEERO C=CCC(CC=C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000151058615 378289588 /nfs/dbraw/zinc/28/95/88/378289588.db2.gz OHZSUHJETAKOTO-JKSUJKDBSA-N 1 0 276.424 2.840 10 30 CFEERO C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[C@@H]1[NH3+] ZINC000164115616 379005659 /nfs/dbraw/zinc/00/56/59/379005659.db2.gz DQHZZAGHPNLZBG-ZANVPECISA-N 1 0 283.297 2.751 10 30 CFEERO N#CCc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000334419591 379266631 /nfs/dbraw/zinc/26/66/31/379266631.db2.gz QCIXSMHOWJHNTB-IAGOWNOFSA-N 1 0 270.376 2.896 10 30 CFEERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000174238329 379849091 /nfs/dbraw/zinc/84/90/91/379849091.db2.gz ISDOALWXQOIHGC-ZDUSSCGKSA-N 1 0 281.400 2.669 10 30 CFEERO C#C[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400331730 380857142 /nfs/dbraw/zinc/85/71/42/380857142.db2.gz DAIBDHZYMFDQDS-BFHYXJOUSA-N 1 0 280.412 2.633 10 30 CFEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)cc1C#N ZINC000187039308 382081522 /nfs/dbraw/zinc/08/15/22/382081522.db2.gz XSGOQECZFXMTRB-BLLLJJGKSA-N 1 0 289.810 2.880 10 30 CFEERO Cc1cc(N[C@H]2CCC[C@@H]2CCO)c(C#N)c(C)n1 ZINC000302413504 382248193 /nfs/dbraw/zinc/24/81/93/382248193.db2.gz HIZZOWCKSVZIFD-OCCSQVGLSA-N 1 0 259.353 2.533 10 30 CFEERO N#Cc1cccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188143005 382355949 /nfs/dbraw/zinc/35/59/49/382355949.db2.gz KDHNOJRDOAWOSY-IRXDYDNUSA-N 1 0 298.411 2.828 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N[C@@H](CC[NH3+])C(F)F ZINC000383296322 382542146 /nfs/dbraw/zinc/54/21/46/382542146.db2.gz MNQVZJJHJUFWJH-JTQLQIEISA-N 1 0 293.239 2.971 10 30 CFEERO C#CC[C@H]([NH3+])c1cccc(C)c1I ZINC000235804560 382888698 /nfs/dbraw/zinc/88/86/98/382888698.db2.gz PHUYVPGEFGUIFP-JTQLQIEISA-N 1 0 285.128 2.623 10 30 CFEERO C#Cc1cccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)c1 ZINC000245424413 383000024 /nfs/dbraw/zinc/00/00/24/383000024.db2.gz CLCBHLHBMXFDKV-IRXDYDNUSA-N 1 0 297.402 2.758 10 30 CFEERO C[C@H](C#N)Oc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000245737139 383030301 /nfs/dbraw/zinc/03/03/01/383030301.db2.gz LCFJGJFQJGKRPK-ZMSDIMECSA-N 1 0 299.418 2.646 10 30 CFEERO O[C@]12CCCC[C@H]1C[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000245964792 383054580 /nfs/dbraw/zinc/05/45/80/383054580.db2.gz TZRLBVVFBXFMQN-WMZOPIPTSA-N 1 0 287.378 2.804 10 30 CFEERO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000246007478 383057705 /nfs/dbraw/zinc/05/77/05/383057705.db2.gz KCCZALFRUNEIIE-OLZOCXBDSA-N 1 0 266.410 2.997 10 30 CFEERO CCCCCCC[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246394747 383075133 /nfs/dbraw/zinc/07/51/33/383075133.db2.gz JBUGOARWJZWLOE-CVEARBPZSA-N 1 0 268.445 2.609 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C#N)c1 ZINC000247527140 383181832 /nfs/dbraw/zinc/18/18/32/383181832.db2.gz NXCLAUVHBINLSX-CVEARBPZSA-N 1 0 298.390 2.649 10 30 CFEERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(C#N)cc1C(F)(F)F ZINC000261580754 383519171 /nfs/dbraw/zinc/51/91/71/383519171.db2.gz QEHJDPPUZYCBBR-HTQZYQBOSA-N 1 0 257.259 2.725 10 30 CFEERO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000183137742 393517079 /nfs/dbraw/zinc/51/70/79/393517079.db2.gz CPXWOSSPJYXRMV-IUODEOHRSA-N 1 0 263.768 2.849 10 30 CFEERO C[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)[C@@H]1C[NH3+] ZINC000070178432 393637875 /nfs/dbraw/zinc/63/78/75/393637875.db2.gz VAOMYBPRYKKBCM-IINYFYTJSA-N 1 0 263.772 2.775 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000661119224 413768804 /nfs/dbraw/zinc/76/88/04/413768804.db2.gz QIDOKHUYLUGQPT-KFWWJZLASA-N 1 0 269.429 2.887 10 30 CFEERO C=CCSc1ccccc1NC(=O)C[NH2+]C(C)C ZINC000037495146 173235057 /nfs/dbraw/zinc/23/50/57/173235057.db2.gz QNGSBFJPTDKALM-UHFFFAOYSA-N 1 0 264.394 2.901 10 30 CFEERO C=CCC1([NH2+]C[C@H](O)COCCCC)CCCC1 ZINC000661851620 414259554 /nfs/dbraw/zinc/25/95/54/414259554.db2.gz YFDKAFUAPQRYQY-AWEZNQCLSA-N 1 0 255.402 2.643 10 30 CFEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000662599910 414570846 /nfs/dbraw/zinc/57/08/46/414570846.db2.gz BSAXCOQGAWYKJA-RBSFLKMASA-N 1 0 264.413 2.770 10 30 CFEERO C[NH+](C)CCOc1ccc(C#N)c(C(F)(F)F)c1 ZINC000040239863 174212865 /nfs/dbraw/zinc/21/28/65/174212865.db2.gz QPRPSAJZNAELJJ-UHFFFAOYSA-N 1 0 258.243 2.517 10 30 CFEERO CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000040462838 174271367 /nfs/dbraw/zinc/27/13/67/174271367.db2.gz NKCVIVFQYLLUDT-LLVKDONJSA-N 1 0 265.744 2.524 10 30 CFEERO C[C@H]1CC[N@H+](CCCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000040718193 174385017 /nfs/dbraw/zinc/38/50/17/174385017.db2.gz ILNPWYOEHPYNHN-ZDUSSCGKSA-N 1 0 271.364 2.619 10 30 CFEERO N#Cc1cnc2ccccc2c1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750583 174395860 /nfs/dbraw/zinc/39/58/60/174395860.db2.gz HMGSIUKMSUUHQX-AGUYFDCRSA-N 1 0 278.359 2.565 10 30 CFEERO C=C(Cl)COc1cc2c(cc1C[C@@H]([NH3+])CC)OCO2 ZINC000042878811 174901467 /nfs/dbraw/zinc/90/14/67/174901467.db2.gz QURSVJDSYRCFMB-NSHDSACASA-N 1 0 283.755 2.826 10 30 CFEERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(CCC#N)C2CC2)cc1 ZINC000042909741 174909977 /nfs/dbraw/zinc/90/99/77/174909977.db2.gz HQXILMJWKWVIMN-CZUORRHYSA-N 1 0 257.381 2.761 10 30 CFEERO CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N(CC)CCC#N ZINC000042915499 174915396 /nfs/dbraw/zinc/91/53/96/174915396.db2.gz SDTSVANIFCISGU-LSDHHAIUSA-N 1 0 263.360 2.840 10 30 CFEERO N#Cc1ccccc1O[C@H](C[NH3+])c1ccccc1F ZINC000043047317 174957358 /nfs/dbraw/zinc/95/73/58/174957358.db2.gz ORAXWQINIZVIGO-OAHLLOKOSA-N 1 0 256.280 2.776 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)c1cccnc1 ZINC000043351254 175019791 /nfs/dbraw/zinc/01/97/91/175019791.db2.gz SLFMPLYMICAHDS-GDBMZVCRSA-N 1 0 285.322 2.950 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)c1ccncc1 ZINC000043355400 175022973 /nfs/dbraw/zinc/02/29/73/175022973.db2.gz HOVBAHPGIAJTFA-CVEARBPZSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)c1ccncc1 ZINC000043356214 175023605 /nfs/dbraw/zinc/02/36/05/175023605.db2.gz NXGBGMANQUFGMX-HOCLYGCPSA-N 1 0 285.322 2.950 10 30 CFEERO Cc1ccc([C@H](Oc2ccc(C#N)cc2)[C@H](C)[NH3+])o1 ZINC000043366041 175027073 /nfs/dbraw/zinc/02/70/73/175027073.db2.gz LIPXTGSTCPPPFZ-XHDPSFHLSA-N 1 0 256.305 2.927 10 30 CFEERO COc1cc(C#N)ccc1O[C@H](c1ccc(C)o1)[C@H](C)[NH3+] ZINC000043365725 175027233 /nfs/dbraw/zinc/02/72/33/175027233.db2.gz LLMWKDUTAIEHJS-ZBEGNZNMSA-N 1 0 286.331 2.936 10 30 CFEERO CC[C@H]([NH3+])Cc1cc(Cl)ccc1O[C@H](C)C#N ZINC000043518657 175061842 /nfs/dbraw/zinc/06/18/42/175061842.db2.gz ZVQLWRUCQVXLFD-SKDRFNHKSA-N 1 0 252.745 2.911 10 30 CFEERO CCCOc1ccc(C[C@H](C)[NH3+])c(O[C@H](C)C#N)c1 ZINC000043518475 175061862 /nfs/dbraw/zinc/06/18/62/175061862.db2.gz MQYSMIBFEZVRPS-NWDGAFQWSA-N 1 0 262.353 2.656 10 30 CFEERO COc1cc(C[C@@H](C)[NH3+])cc(Cl)c1O[C@H](C)C#N ZINC000043518534 175061912 /nfs/dbraw/zinc/06/19/12/175061912.db2.gz CZFYAIGHGMSTQM-RKDXNWHRSA-N 1 0 268.744 2.529 10 30 CFEERO CC[C@@H](C#N)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000043539444 175063998 /nfs/dbraw/zinc/06/39/98/175063998.db2.gz UGKVSWQXWYSTAP-HOTGVXAUSA-N 1 0 259.397 2.961 10 30 CFEERO CC[C@H]([NH3+])Cc1cccc(OC)c1O[C@H](C#N)CC ZINC000043543620 175064223 /nfs/dbraw/zinc/06/42/23/175064223.db2.gz FHRSJSATHMLFDF-STQMWFEESA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@H]([NH3+])Cc1ccc(OC)cc1O[C@H](C#N)CC ZINC000043543662 175064315 /nfs/dbraw/zinc/06/43/15/175064315.db2.gz ZXCCQSGULCRKNJ-STQMWFEESA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@@H]([NH3+])Cc1ccc(OC)c(O[C@@H](C#N)CC)c1 ZINC000043543631 175064435 /nfs/dbraw/zinc/06/44/35/175064435.db2.gz CRBHHFPNPSIBIK-CHWSQXEVSA-N 1 0 262.353 2.656 10 30 CFEERO C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043582623 175070052 /nfs/dbraw/zinc/07/00/52/175070052.db2.gz LJZDVIBCHRADPK-CHWSQXEVSA-N 1 0 288.366 2.539 10 30 CFEERO CCOC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000043618100 175080227 /nfs/dbraw/zinc/08/02/27/175080227.db2.gz ADHBZJDBALFDSO-NWDGAFQWSA-N 1 0 260.337 2.551 10 30 CFEERO CC[C@@H]1CCC[N@H+](Cc2sccc2C#CCO)C1 ZINC000043677853 175088984 /nfs/dbraw/zinc/08/89/84/175088984.db2.gz LEUPJMPQUINPTA-CYBMUJFWSA-N 1 0 263.406 2.714 10 30 CFEERO CCC[C@@H](C)[N@H+](C)Cc1sccc1C#CCO ZINC000043677899 175089298 /nfs/dbraw/zinc/08/92/98/175089298.db2.gz QEPGZLXPBCPSIF-GFCCVEGCSA-N 1 0 251.395 2.712 10 30 CFEERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2sccc2C#CCO)C1 ZINC000043679192 175089453 /nfs/dbraw/zinc/08/94/53/175089453.db2.gz NOHZDVCPYZNJQH-BETUJISGSA-N 1 0 263.406 2.570 10 30 CFEERO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C#CCCO)s2)C1 ZINC000043679190 175089513 /nfs/dbraw/zinc/08/95/13/175089513.db2.gz SRHQIZPJADQTMZ-KBPBESRZSA-N 1 0 277.433 2.960 10 30 CFEERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C#CCCO)s2)C1 ZINC000043679189 175089567 /nfs/dbraw/zinc/08/95/67/175089567.db2.gz SRHQIZPJADQTMZ-OKILXGFUSA-N 1 0 277.433 2.960 10 30 CFEERO CC[C@@H](C)[N@H+](C)Cc1sccc1C#CCCO ZINC000043679358 175089789 /nfs/dbraw/zinc/08/97/89/175089789.db2.gz XTKAXAMHNNSFTD-GFCCVEGCSA-N 1 0 251.395 2.712 10 30 CFEERO Cc1ccc(CN(C)Cc2sccc2C#CC[NH3+])o1 ZINC000043683680 175092119 /nfs/dbraw/zinc/09/21/19/175092119.db2.gz HSTDKBVCMRVMRS-UHFFFAOYSA-N 1 0 274.389 2.592 10 30 CFEERO Cc1occc1CN(C)Cc1ccc(C#CC[NH3+])s1 ZINC000043684029 175092326 /nfs/dbraw/zinc/09/23/26/175092326.db2.gz DUXCIPYMXSTVGU-UHFFFAOYSA-N 1 0 274.389 2.592 10 30 CFEERO COc1cccc(OCc2ccc(C#CC[NH3+])s2)c1 ZINC000043684723 175092857 /nfs/dbraw/zinc/09/28/57/175092857.db2.gz WBQDHFLNJXSJBU-UHFFFAOYSA-N 1 0 273.357 2.646 10 30 CFEERO CN(C)c1cccc(OCc2sccc2C#CC[NH3+])c1 ZINC000043685405 175093497 /nfs/dbraw/zinc/09/34/97/175093497.db2.gz JITWEFQOXQLYKR-UHFFFAOYSA-N 1 0 286.400 2.703 10 30 CFEERO COc1ccccc1OCc1sccc1C#CC[NH3+] ZINC000043684863 175093638 /nfs/dbraw/zinc/09/36/38/175093638.db2.gz FKZYGQMPAPTAEM-UHFFFAOYSA-N 1 0 273.357 2.646 10 30 CFEERO N#Cc1ccc(OCc2ccc(C#CC[NH3+])s2)cc1 ZINC000043684841 175094225 /nfs/dbraw/zinc/09/42/25/175094225.db2.gz CJBJYJPBXGGSSZ-UHFFFAOYSA-N 1 0 268.341 2.509 10 30 CFEERO CC[C@@H]1CC[C@@H](C#N)[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071189146 176064504 /nfs/dbraw/zinc/06/45/04/176064504.db2.gz XDFULRVCJYVIPU-LVQVYYBASA-N 1 0 263.429 2.588 10 30 CFEERO C[C@@H]([NH3+])Cc1ccc(O[C@H](C)C#N)c(C(F)(F)F)c1 ZINC000071399647 176152248 /nfs/dbraw/zinc/15/22/48/176152248.db2.gz ZIVLJNSHMNUSMY-RKDXNWHRSA-N 1 0 272.270 2.886 10 30 CFEERO C#CCOc1ccc(C[C@@H](C)[NH3+])cc1C(F)(F)F ZINC000071399683 176152398 /nfs/dbraw/zinc/15/23/98/176152398.db2.gz VOZRQDIGVRQYJM-SECBINFHSA-N 1 0 257.255 2.607 10 30 CFEERO CN(c1ccc(C(F)(F)F)cc1C#N)C1CC([NH3+])C1 ZINC000395050203 270310931 /nfs/dbraw/zinc/31/09/31/270310931.db2.gz LYEHIETVYMBGMK-UHFFFAOYSA-N 1 0 269.270 2.503 10 30 CFEERO CC(C)C[N@@H+]1CCC[C@@H]1C/N=C/c1ccccc1O ZINC000129621687 260840909 /nfs/dbraw/zinc/84/09/09/260840909.db2.gz YOCNKLYNNZYDBZ-ZXMBATIKSA-N 1 0 260.381 2.932 10 30 CFEERO CC1(C)CN(c2ccc(Br)cc2C#N)CC[NH2+]1 ZINC000396003046 265965783 /nfs/dbraw/zinc/96/57/83/265965783.db2.gz MPFWPEIHZSWECU-UHFFFAOYSA-N 1 0 294.196 2.509 10 30 CFEERO CCN1CCC[C@H]1C[N@H+](C)CC(C)(C)CCC#N ZINC000123461356 268054528 /nfs/dbraw/zinc/05/45/28/268054528.db2.gz VPJXHVMHRNPJDQ-AWEZNQCLSA-N 1 0 251.418 2.732 10 30 CFEERO CCN1CCC[C@@H]1C[N@H+](C)CC(C)(C)CCC#N ZINC000123461083 268054783 /nfs/dbraw/zinc/05/47/83/268054783.db2.gz VPJXHVMHRNPJDQ-CQSZACIVSA-N 1 0 251.418 2.732 10 30 CFEERO C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CC[C@H]1[NH3+] ZINC000251862564 274593456 /nfs/dbraw/zinc/59/34/56/274593456.db2.gz SQEPBZLQVKQFHU-JOYOIKCWSA-N 1 0 283.297 2.751 10 30 CFEERO C=CCC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)C1CC1 ZINC000090224813 275423725 /nfs/dbraw/zinc/42/37/25/275423725.db2.gz WAFGQGHDXNEQAN-KGLIPLIRSA-N 1 0 260.385 2.756 10 30 CFEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020316364 277871270 /nfs/dbraw/zinc/87/12/70/277871270.db2.gz ACQYLHWNEUYUMU-YIUBPGBESA-N 1 0 290.451 2.872 10 30 CFEERO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000132468530 278318570 /nfs/dbraw/zinc/31/85/70/278318570.db2.gz DYNUNEOIZQZFMO-ZJUUUORDSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@H]1CC(C[NH2+]Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000282384560 278325390 /nfs/dbraw/zinc/32/53/90/278325390.db2.gz XPEFNDRDUIJMTA-STQMWFEESA-N 1 0 258.365 2.851 10 30 CFEERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000122654803 278844188 /nfs/dbraw/zinc/84/41/88/278844188.db2.gz JJMLIWKKCFBSOT-VHSXEESVSA-N 1 0 283.297 2.764 10 30 CFEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(C#N)cc1Br ZINC000229608053 279035773 /nfs/dbraw/zinc/03/57/73/279035773.db2.gz AMTGWBBLYMFJOU-JOYOIKCWSA-N 1 0 294.196 2.873 10 30 CFEERO N#Cc1c(F)cccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201110 279495453 /nfs/dbraw/zinc/49/54/53/279495453.db2.gz CYUOSFUUEKMHEB-OAHLLOKOSA-N 1 0 273.355 2.666 10 30 CFEERO C[C@H](CCC#N)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000411667482 328098251 /nfs/dbraw/zinc/09/82/51/328098251.db2.gz IAQBSNDZUHZTIZ-KBUPBQIOSA-N 1 0 250.386 2.694 10 30 CFEERO C[C@H](C#N)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551190 328306717 /nfs/dbraw/zinc/30/67/17/328306717.db2.gz GCZPHLIPVZLCOU-HZSPNIEDSA-N 1 0 295.427 2.771 10 30 CFEERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000381701919 324422586 /nfs/dbraw/zinc/42/25/86/324422586.db2.gz HDZKPCNTQSFHJR-SFYZADRCSA-N 1 0 257.259 2.725 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N[C@H](CC[NH3+])C(F)F ZINC000383296323 324438253 /nfs/dbraw/zinc/43/82/53/324438253.db2.gz MNQVZJJHJUFWJH-SNVBAGLBSA-N 1 0 293.239 2.971 10 30 CFEERO C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000172908649 329140405 /nfs/dbraw/zinc/14/04/05/329140405.db2.gz WOTYXAICLFEFFG-SJORKVTESA-N 1 0 290.451 2.969 10 30 CFEERO C[NH+]=C(NCc1ncoc1-c1ccccc1)N[C@H]1CC1(C)C ZINC000261664364 329975509 /nfs/dbraw/zinc/97/55/09/329975509.db2.gz BHGZWWGGVVUNQY-AWEZNQCLSA-N 1 0 298.390 2.805 10 30 CFEERO CC[NH+]=C(NCCC1CCOCC1)N1CC[C@](C)(CC)C1 ZINC000261689940 329978049 /nfs/dbraw/zinc/97/80/49/329978049.db2.gz DYIDWMICBNCBGU-KRWDZBQOSA-N 1 0 295.471 2.891 10 30 CFEERO C[NH+]=C(NCc1cnc(C)s1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261786215 329983473 /nfs/dbraw/zinc/98/34/73/329983473.db2.gz QLKOBTXOTDYRGU-BETUJISGSA-N 1 0 292.452 2.649 10 30 CFEERO CC[NH+]=C(NC[C@@H]1CC1(C)C)N(C)Cc1csc(C)n1 ZINC000261825398 329985601 /nfs/dbraw/zinc/98/56/01/329985601.db2.gz UWBUCWVPCOHTGN-LBPRGKRZSA-N 1 0 294.468 2.895 10 30 CFEERO C[NH+]=C(NC[C@@H]1CC=CCC1)N(C)Cc1csc(C)n1 ZINC000261866538 329987379 /nfs/dbraw/zinc/98/73/79/329987379.db2.gz ZAFCAOOKHXBMSG-CYBMUJFWSA-N 1 0 292.452 2.815 10 30 CFEERO CCc1ccc(NC(=[NH2+])NCc2cc(C)nc(C)n2)cc1 ZINC000261903950 329988614 /nfs/dbraw/zinc/98/86/14/329988614.db2.gz WPBHHOHFPXSUKX-UHFFFAOYSA-N 1 0 283.379 2.583 10 30 CFEERO C[C@@H]1C[C@H]1NC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000262231530 330002114 /nfs/dbraw/zinc/00/21/14/330002114.db2.gz ABRHXEJDOIGWGO-GMSGAONNSA-N 1 0 273.258 2.720 10 30 CFEERO [NH2+]=C(N[C@H]1COc2ccc(F)cc21)NC1CCCCCC1 ZINC000262335125 330006532 /nfs/dbraw/zinc/00/65/32/330006532.db2.gz BQOIKWZEGRHNGP-AWEZNQCLSA-N 1 0 291.370 2.886 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N[C@@H]1CCC[C@@H]1C#N ZINC000262420243 330009199 /nfs/dbraw/zinc/00/91/99/330009199.db2.gz QVIBRNWQNRNWGM-KLHDSHLOSA-N 1 0 288.439 2.812 10 30 CFEERO CN(C(=[NH2+])N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C1CC1 ZINC000262431434 330010159 /nfs/dbraw/zinc/01/01/59/330010159.db2.gz FEIBCIHYIRPLQJ-QWHCGFSZSA-N 1 0 295.333 2.553 10 30 CFEERO CC[NH+]=C(NCC1(C)CC1)N[C@H]1CCOc2ccccc21 ZINC000262452904 330014027 /nfs/dbraw/zinc/01/40/27/330014027.db2.gz WHWNPPAIQJYWSI-AWEZNQCLSA-N 1 0 287.407 2.865 10 30 CFEERO COC1CCC(C)(CNC(=[NH2+])N2CCC[C@H](C)C2)CC1 ZINC000262506086 330018529 /nfs/dbraw/zinc/01/85/29/330018529.db2.gz ZUMDPKXWICMOKG-HLIUYOAVSA-N 1 0 281.444 2.628 10 30 CFEERO C[NH+]=C(N[C@H]1CC1(C)C)N(C)Cc1ccccc1OC ZINC000262606475 330022850 /nfs/dbraw/zinc/02/28/50/330022850.db2.gz ZUDIDBLFSQQDRM-AWEZNQCLSA-N 1 0 275.396 2.501 10 30 CFEERO COCc1ccccc1NC(=[NH2+])NCC1CC(F)(F)C1 ZINC000262694996 330027576 /nfs/dbraw/zinc/02/75/76/330027576.db2.gz HLKFKXQCDZKCLF-UHFFFAOYSA-N 1 0 283.322 2.605 10 30 CFEERO C[NH+]=C(NCc1ccc(C)s1)N[C@H]1CC1(C)C ZINC000262756822 330029674 /nfs/dbraw/zinc/02/96/74/330029674.db2.gz KKPAMWXRUJZYKR-NSHDSACASA-N 1 0 251.399 2.520 10 30 CFEERO C[NH+]=C(NCc1nc(C(C)C)c(C)s1)N[C@@H]1C[C@H]1C ZINC000262772132 330030633 /nfs/dbraw/zinc/03/06/33/330030633.db2.gz JARFSYIXMYWEBN-MWLCHTKSSA-N 1 0 280.441 2.648 10 30 CFEERO CC(C)(C)OC(=O)C(C)(C)[C@H]([NH3+])c1ccc(C#N)cc1 ZINC000536960243 330384165 /nfs/dbraw/zinc/38/41/65/330384165.db2.gz XDHSRKORWQERTB-CYBMUJFWSA-N 1 0 274.364 2.926 10 30 CFEERO CC[C@H](CC#N)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400367216 332707676 /nfs/dbraw/zinc/70/76/76/332707676.db2.gz SBYUIAGAEWKNPC-MELADBBJSA-N 1 0 295.427 2.914 10 30 CFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000250647588 334347730 /nfs/dbraw/zinc/34/77/30/334347730.db2.gz MXZGQQSCKOXBAJ-YESZJQIVSA-N 1 0 269.392 2.543 10 30 CFEERO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)CC2 ZINC000252700682 334385728 /nfs/dbraw/zinc/38/57/28/334385728.db2.gz AWZAZZVSLJYBJP-YSVLISHTSA-N 1 0 270.376 2.834 10 30 CFEERO CCC(C)(C)OCc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049610952 521359641 /nfs/dbraw/zinc/35/96/41/521359641.db2.gz RDTXISJDYXIWDY-UHFFFAOYSA-N 1 0 261.365 2.711 10 30 CFEERO C#CC[NH2+]CCn1c(C)c(Br)c2ccccc21 ZINC000055331923 518287417 /nfs/dbraw/zinc/28/74/17/518287417.db2.gz NONWEFBUCCWFNF-UHFFFAOYSA-N 1 0 291.192 2.935 10 30 CFEERO C#CC[C@H]([NH2+]CC)C1(c2ccccc2)CCOCC1 ZINC000062783781 518339779 /nfs/dbraw/zinc/33/97/79/518339779.db2.gz WMSXDHIIQGBPGD-INIZCTEOSA-N 1 0 257.377 2.736 10 30 CFEERO C=C(C)COc1cc(C[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000050517256 518611813 /nfs/dbraw/zinc/61/18/13/518611813.db2.gz QKZJCBZUPGRZHP-UHFFFAOYSA-N 1 0 262.309 2.802 10 30 CFEERO C=CCNC(=O)COc1ccc(Cl)cc1[C@H](C)[NH2+]CC ZINC000050210232 518895672 /nfs/dbraw/zinc/89/56/72/518895672.db2.gz JIJWAUUIJQLJOK-NSHDSACASA-N 1 0 296.798 2.692 10 30 CFEERO CC#CCOc1ccc(C[NH2+]CC(C)C)cc1OC ZINC000062731888 519344568 /nfs/dbraw/zinc/34/45/68/519344568.db2.gz NNUCEIMHGASFPH-UHFFFAOYSA-N 1 0 261.365 2.843 10 30 CFEERO CC(C)[NH2+]CCCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000050617548 519721444 /nfs/dbraw/zinc/72/14/44/519721444.db2.gz BGJBSYWERRKZQW-UHFFFAOYSA-N 1 0 270.336 2.539 10 30 CFEERO CCCC1CCN(C(=O)c2ccc(C#CC[NH3+])s2)CC1 ZINC000050907103 519900302 /nfs/dbraw/zinc/90/03/02/519900302.db2.gz FWGIQVAQJWHLRE-UHFFFAOYSA-N 1 0 290.432 2.711 10 30 CFEERO CC[NH2+]CC1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000262344763 519915377 /nfs/dbraw/zinc/91/53/77/519915377.db2.gz USPXBVREEKPYEU-UHFFFAOYSA-N 1 0 298.434 2.658 10 30 CFEERO CC[N@H+](CCOc1ccc(C#CCCO)cc1)CC(C)C ZINC000049617237 521148735 /nfs/dbraw/zinc/14/87/35/521148735.db2.gz FYECACSGKLEGLU-UHFFFAOYSA-N 1 0 289.419 2.777 10 30 CFEERO CCC(C)(C)[N@H+](C)CCOc1cccc(C#CCCO)c1 ZINC000069446272 521301099 /nfs/dbraw/zinc/30/10/99/521301099.db2.gz IZJNQJUCVVZASQ-UHFFFAOYSA-N 1 0 289.419 2.920 10 30 CFEERO CCC(CC)C[N@H+](CC)CC1(C=O)CCOCC1 ZINC000052180202 521520640 /nfs/dbraw/zinc/52/06/40/521520640.db2.gz GJZWQUUADKIPRQ-UHFFFAOYSA-N 1 0 255.402 2.740 10 30 CFEERO CCC[N@H+](CCOc1ccc(C#CCCO)cc1)C(C)C ZINC000049617634 521669482 /nfs/dbraw/zinc/66/94/82/521669482.db2.gz DIISLCGHMNDGKY-UHFFFAOYSA-N 1 0 289.419 2.920 10 30 CFEERO CCC[N@H+](Cc1cccc(C#CCCO)c1)C1CC1 ZINC000049617701 521685272 /nfs/dbraw/zinc/68/52/72/521685272.db2.gz BOAFFWWTEYIQGW-UHFFFAOYSA-N 1 0 257.377 2.795 10 30 CFEERO CC[C@@H](C)C[N@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049617903 521972051 /nfs/dbraw/zinc/97/20/51/521972051.db2.gz MIYXIFSJBJHPQM-CYBMUJFWSA-N 1 0 263.356 2.647 10 30 CFEERO CN(CC(C)(C)C[NH3+])c1ccc(C(F)(F)F)c(C#N)c1 ZINC000164112288 522546581 /nfs/dbraw/zinc/54/65/81/522546581.db2.gz AEGNCEAPNXHRPV-UHFFFAOYSA-N 1 0 285.313 2.998 10 30 CFEERO CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000049124739 523041863 /nfs/dbraw/zinc/04/18/63/523041863.db2.gz KCRPZLNEAUHJCE-RDJZCZTQSA-N 1 0 284.403 2.695 10 30 CFEERO CC[C@@H]1CCC[N@H+](CCOc2ccc(C#CCO)cc2)C1 ZINC000049613038 523249327 /nfs/dbraw/zinc/24/93/27/523249327.db2.gz NTRKVKNXOKRCCV-MRXNPFEDSA-N 1 0 287.403 2.531 10 30 CFEERO C[N@H+](Cc1ccccc1)Cc1ccc(C#CCO)cc1 ZINC000049616318 523347822 /nfs/dbraw/zinc/34/78/22/523347822.db2.gz CSZCSVKLJSEANH-UHFFFAOYSA-N 1 0 265.356 2.662 10 30 CFEERO COc1ccc(C#CCCO)cc1C[N@H+](C)CCC(C)C ZINC000049614886 523511384 /nfs/dbraw/zinc/51/13/84/523511384.db2.gz VCHCRVCTIVYVRE-UHFFFAOYSA-N 1 0 289.419 2.907 10 30 CFEERO CCc1c(C)nn(Cc2ccc(C#CC[NH3+])cc2F)c1C ZINC000049610258 523716207 /nfs/dbraw/zinc/71/62/07/523716207.db2.gz YMSRMILWGYHNHC-UHFFFAOYSA-N 1 0 285.366 2.560 10 30 CFEERO C[N@@H+]1CCCC[C@H]1CCNCc1ccc(C#N)cc1 ZINC000052205637 523797947 /nfs/dbraw/zinc/79/79/47/523797947.db2.gz KJVOIQUKGBPRFO-INIZCTEOSA-N 1 0 257.381 2.522 10 30 CFEERO CC[C@H](C)C[N@H+](C)Cc1ccc(F)c(C#CCO)c1 ZINC000049617917 523868523 /nfs/dbraw/zinc/86/85/23/523868523.db2.gz XOZBOEJROQKBBS-ZDUSSCGKSA-N 1 0 263.356 2.647 10 30 CFEERO COc1ccc(COCc2cccs2)cc1C#CC[NH3+] ZINC000049611168 524118883 /nfs/dbraw/zinc/11/88/83/524118883.db2.gz KCMTZQNDXUZRQK-UHFFFAOYSA-N 1 0 287.384 2.784 10 30 CFEERO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(F)cc1C#CCO ZINC000049616923 524190021 /nfs/dbraw/zinc/19/00/21/524190021.db2.gz WPKMDZKFJQFVAN-KBPBESRZSA-N 1 0 275.367 2.932 10 30 CFEERO C[C@@H]1CCC[N@H+](Cc2ccc(C#CCO)cc2F)[C@@H]1C ZINC000050566729 524233384 /nfs/dbraw/zinc/23/33/84/524233384.db2.gz VIDGDKFYYFFVDU-ZIAGYGMSSA-N 1 0 275.367 2.790 10 30 CFEERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C#CCO)cc1F ZINC000049616914 524279471 /nfs/dbraw/zinc/27/94/71/524279471.db2.gz VEVVNQOVFQUPBF-ZIAGYGMSSA-N 1 0 275.367 2.932 10 30 CFEERO C[C@H](C[NH3+])CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000311082054 524310480 /nfs/dbraw/zinc/31/04/80/524310480.db2.gz MEMZTCUDLSVGKW-MRVPVSSYSA-N 1 0 257.259 2.584 10 30 CFEERO Cc1ccc(C[N@@H+](C)Cc2cccc(C#CCO)c2)cc1 ZINC000049617051 524396064 /nfs/dbraw/zinc/39/60/64/524396064.db2.gz FJCTYPQKKUEQKR-UHFFFAOYSA-N 1 0 279.383 2.971 10 30 CFEERO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C#CCCO)cc2)C1 ZINC000049616609 524884602 /nfs/dbraw/zinc/88/46/02/524884602.db2.gz IYFWVIFWQGKGCF-HOTGVXAUSA-N 1 0 271.404 2.898 10 30 CFEERO Cc1cc(Cl)ccc1NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629483 524900656 /nfs/dbraw/zinc/90/06/56/524900656.db2.gz FITQCSWCCKBZJB-UHFFFAOYSA-N 1 0 299.761 2.606 10 30 CFEERO C[C@@H](NC(=O)c1cccs1)c1ccc(C#CC[NH3+])cc1 ZINC000049586746 525361995 /nfs/dbraw/zinc/36/19/95/525361995.db2.gz FFHHZRGQAXXKHW-GFCCVEGCSA-N 1 0 284.384 2.549 10 30 CFEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C#CCO)cc1 ZINC000050566722 525642523 /nfs/dbraw/zinc/64/25/23/525642523.db2.gz GBVBXDRPLCUMSC-LSDHHAIUSA-N 1 0 257.377 2.651 10 30 CFEERO Cc1ccsc1C(=O)N(C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049586623 525817092 /nfs/dbraw/zinc/81/70/92/525817092.db2.gz QZACSMBQQVDLIN-UHFFFAOYSA-N 1 0 298.411 2.639 10 30 CFEERO Cc1ccc(C(NC2CCCCCC2)=[NH+]N)c(C)n1 ZINC000055331740 525941985 /nfs/dbraw/zinc/94/19/85/525941985.db2.gz WFMHIPWKQLJIDY-UHFFFAOYSA-N 1 0 260.385 2.631 10 30 CFEERO Cc1ccc(C(=O)Nc2cc(C#CC[NH3+])ccc2Cl)cn1 ZINC000061692010 526218038 /nfs/dbraw/zinc/21/80/38/526218038.db2.gz NAOSQZXFDXRBHW-UHFFFAOYSA-N 1 0 299.761 2.606 10 30 CFEERO C[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#CCCO)c1 ZINC000049615766 526251432 /nfs/dbraw/zinc/25/14/32/526251432.db2.gz XJBFLVDPUSOQRF-AWEZNQCLSA-N 1 0 275.367 2.934 10 30 CFEERO N#Cc1c(Br)cccc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000335581968 526516913 /nfs/dbraw/zinc/51/69/13/526516913.db2.gz ORINBQNEFXNEMC-UWVGGRQHSA-N 1 0 294.196 2.860 10 30 CFEERO N#Cc1c(F)cccc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050942835 526522614 /nfs/dbraw/zinc/52/26/14/526522614.db2.gz WUIRRSPNVFLSRW-NSHDSACASA-N 1 0 275.327 2.558 10 30 CFEERO N#Cc1ccc(-n2c(N)[nH+]c3ccc(F)c(F)c32)cc1 ZINC000053169773 526584038 /nfs/dbraw/zinc/58/40/38/526584038.db2.gz JQRMUEWASNQDMS-UHFFFAOYSA-N 1 0 270.242 2.758 10 30 CFEERO N#Cc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1F ZINC000192075981 526617575 /nfs/dbraw/zinc/61/75/75/526617575.db2.gz GLVBWMNZWDQWSG-NVXWUHKLSA-N 1 0 288.366 2.824 10 30 CFEERO N#Cc1ccc(F)cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000069402013 526640576 /nfs/dbraw/zinc/64/05/76/526640576.db2.gz KORHWFAGGMTOGO-PBHICJAKSA-N 1 0 287.382 2.661 10 30 CFEERO N#Cc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1Cl ZINC000050941315 526649176 /nfs/dbraw/zinc/64/91/76/526649176.db2.gz VATRQXIDYOULJZ-UHFFFAOYSA-N 1 0 291.782 2.930 10 30 CFEERO O=CC1(C[N@@H+]2CCC[C@@H]2C2CCCC2)CCOCC1 ZINC000052180180 527139207 /nfs/dbraw/zinc/13/92/07/527139207.db2.gz ZAUHJYNUPCATSM-OAHLLOKOSA-N 1 0 265.397 2.637 10 30 CFEERO [NH3+]CC#Cc1cc(COCc2ccccc2F)ccc1F ZINC000069285290 527147251 /nfs/dbraw/zinc/14/72/51/527147251.db2.gz HKVJQBNBYMLQPR-UHFFFAOYSA-N 1 0 287.309 2.992 10 30 CFEERO [NH3+]CC#Cc1ccc(OCCOc2ccc(F)cc2)cc1 ZINC000049610513 527151892 /nfs/dbraw/zinc/15/18/92/527151892.db2.gz IAXYNROBWYVAIE-UHFFFAOYSA-N 1 0 285.318 2.594 10 30 CFEERO OCC#Cc1cc(C[NH+]2CCCCCCC2)ccc1F ZINC000049617073 527518387 /nfs/dbraw/zinc/51/83/87/527518387.db2.gz DJPQBUFIBAILJT-UHFFFAOYSA-N 1 0 275.367 2.936 10 30 CFEERO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000160518193 618102609 /nfs/dbraw/zinc/10/26/09/618102609.db2.gz WFBMKCARWUAEQB-ZVZYQTTQSA-N 1 0 287.403 2.900 10 30 CFEERO CCN(c1ccc(C(F)(F)F)cc1C#N)[C@H]1CC[NH2+]C1 ZINC000071314275 618103353 /nfs/dbraw/zinc/10/33/53/618103353.db2.gz FISPTNJJDYSRFL-LBPRGKRZSA-N 1 0 283.297 2.765 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261664644 618127479 /nfs/dbraw/zinc/12/74/79/618127479.db2.gz BFKGWYWEKSEJMU-IACUBPJLSA-N 1 0 287.407 2.862 10 30 CFEERO N#Cc1sc(N[C@H](C[NH3+])C2CCCC2)nc1Cl ZINC000236180870 618347558 /nfs/dbraw/zinc/34/75/58/618347558.db2.gz FPJVESINDNANEV-MRVPVSSYSA-N 1 0 270.789 2.598 10 30 CFEERO C#CCCOc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000092616140 618886518 /nfs/dbraw/zinc/88/65/18/618886518.db2.gz IXONWURWKIXDKL-GOSISDBHSA-N 1 0 298.430 2.759 10 30 CFEERO CC[N@@H+]1CCC[C@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC000233497465 619182648 /nfs/dbraw/zinc/18/26/48/619182648.db2.gz MGFBDVOWUCGBHG-QMMMGPOBSA-N 1 0 270.789 2.564 10 30 CFEERO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000061891991 623240023 /nfs/dbraw/zinc/24/00/23/623240023.db2.gz WLXIAOVHEKVFNB-OCCSQVGLSA-N 1 0 293.411 2.668 10 30 CFEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000061891420 623240551 /nfs/dbraw/zinc/24/05/51/623240551.db2.gz NYPDFLCSTCDRJG-JOYOIKCWSA-N 1 0 250.729 2.827 10 30 CFEERO CCCCCCCCCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185146739 625690993 /nfs/dbraw/zinc/69/09/93/625690993.db2.gz FBYDCYDRUCIIQZ-HUUCEWRRSA-N 1 0 257.418 2.555 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCSC2(CCCCC2)C1 ZINC000153558107 624018371 /nfs/dbraw/zinc/01/83/71/624018371.db2.gz YODUZJQMCDQLAI-QWHCGFSZSA-N 1 0 281.469 2.722 10 30 CFEERO C#CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000069768269 625218629 /nfs/dbraw/zinc/21/86/29/625218629.db2.gz FRYPSDYBCNIWOY-UHFFFAOYSA-N 1 0 256.118 2.701 10 30 CFEERO N#Cc1cnc2ccccc2c1N1CCC[C@H](CC[NH3+])C1 ZINC000070171276 625278355 /nfs/dbraw/zinc/27/83/55/625278355.db2.gz XWCDFRKDVNMWIK-CYBMUJFWSA-N 1 0 280.375 2.672 10 30 CFEERO C[C@@H]1C[C@H]1NC(NCCc1ccco1)=[NH+]C1CCCC1 ZINC000079261357 650578866 /nfs/dbraw/zinc/57/88/66/650578866.db2.gz RPWFLSHNEWZAGP-IUODEOHRSA-N 1 0 275.396 2.708 10 30 CFEERO C[C@H](CC[NH2+][C@H]1CCC[C@H](C#N)C1)NC(=O)OC(C)(C)C ZINC000192980148 650613997 /nfs/dbraw/zinc/61/39/97/650613997.db2.gz VUONMDIHXHSKAW-RDBSUJKOSA-N 1 0 295.427 2.962 10 30 CFEERO N#Cc1ccc(N[C@H]2CCC[C@H]2C[NH3+])c(Br)c1 ZINC000089149097 650829205 /nfs/dbraw/zinc/82/92/05/650829205.db2.gz XJGDTAIYANKCIH-JQWIXIFHSA-N 1 0 294.196 2.860 10 30 CFEERO C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CC[C@@H]1[NH3+] ZINC000094342763 650956269 /nfs/dbraw/zinc/95/62/69/650956269.db2.gz SQEPBZLQVKQFHU-CABZTGNLSA-N 1 0 283.297 2.751 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000094337550 650956579 /nfs/dbraw/zinc/95/65/79/650956579.db2.gz SWQVAUMMQMIVKX-WCBMZHEXSA-N 1 0 284.285 2.511 10 30 CFEERO COc1cccc(/C=N/C[C@H]2CCC[N@@H+]2CC(C)C)c1O ZINC000129621898 645295652 /nfs/dbraw/zinc/29/56/52/645295652.db2.gz MNLYQTHTNORZOE-BFERYNQYSA-N 1 0 290.407 2.940 10 30 CFEERO C[C@@H]1CCN(c2ccc(Cl)cc2C#N)C[C@H]1C[NH3+] ZINC000253190920 651039661 /nfs/dbraw/zinc/03/96/61/651039661.db2.gz LOCZRZCNGUUNLI-ZYHUDNBSSA-N 1 0 263.772 2.633 10 30 CFEERO C[C@@H]1C[C@@H](C)CN(C(=O)C[N+](C)(C)C2CCCC2)C1 ZINC000073712988 717134859 /nfs/dbraw/zinc/13/48/59/717134859.db2.gz HEJXHULCWVADJL-ZIAGYGMSSA-N 1 0 267.437 2.510 10 30 CFEERO N#Cc1ccc(Cl)cc1N1CCC(CC[NH3+])CC1 ZINC000070188615 346908050 /nfs/dbraw/zinc/90/80/50/346908050.db2.gz YEMYFTYNEKHWGM-UHFFFAOYSA-N 1 0 263.772 2.777 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1NC1CC[NH2+]CC1 ZINC000036962406 346324842 /nfs/dbraw/zinc/32/48/42/346324842.db2.gz DWUCEQPYMGQVAI-UHFFFAOYSA-N 1 0 269.270 2.741 10 30 CFEERO Cn1cc([C@H]2CCCN2Cc2cc(C#N)cs2)cn1 ZINC000131952928 347882199 /nfs/dbraw/zinc/88/21/99/347882199.db2.gz AMVJWTFJZGMTDS-CQSZACIVSA-N 1 0 272.377 2.690 10 30 CFEERO N#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000152587887 347969289 /nfs/dbraw/zinc/96/92/89/347969289.db2.gz OUXFRKUQCPXQTG-QGZVFWFLSA-N 1 0 279.343 2.607 10 30 CFEERO C#CCOC[C@H](O)C[N@H+](Cc1ccc(C)cc1)[C@@H](C)CC ZINC000169677069 348051737 /nfs/dbraw/zinc/05/17/37/348051737.db2.gz BYWQWYJDGNOUOC-FUHWJXTLSA-N 1 0 289.419 2.606 10 30 CFEERO C=C[C@H](CC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000128721006 187386412 /nfs/dbraw/zinc/38/64/12/187386412.db2.gz FNAJFHSXMCRFBB-GDBMZVCRSA-N 1 0 272.392 2.509 10 30 CFEERO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2CNC(=O)Nc1ccccc1 ZINC000225395257 348177495 /nfs/dbraw/zinc/17/74/95/348177495.db2.gz DBINPUXVFATNIE-DZKIICNBSA-N 1 0 285.391 2.705 10 30 biogenic,in-vitro CFEERO N#Cc1ccc(NC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000214270819 348161517 /nfs/dbraw/zinc/16/15/17/348161517.db2.gz DJJVURZEXBTGHW-LLVKDONJSA-N 1 0 294.196 2.875 10 30 CFEERO CCCCCCCC(=O)NC[C@H]1[NH2+]CCC[C@@H]1C ZINC000104076441 185894493 /nfs/dbraw/zinc/89/44/93/185894493.db2.gz YAONGDZPAAUQSA-UONOGXRCSA-N 1 0 254.418 2.851 10 30 CFEERO C=C(C)C[C@@H]([NH3+])c1cc(OC)c(OC)cc1OC ZINC000229735030 348202897 /nfs/dbraw/zinc/20/28/97/348202897.db2.gz IHLLZZMVVXRZBO-LLVKDONJSA-N 1 0 251.326 2.678 10 30 CFEERO C#C[C@@H]([NH3+])c1ccc(Br)cc1Br ZINC000236301576 348232913 /nfs/dbraw/zinc/23/29/13/348232913.db2.gz DXEXUHABFLYIDH-SECBINFHSA-N 1 0 288.970 2.845 10 30 CFEERO Cc1cc(C#N)ccc1CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000253310350 348300418 /nfs/dbraw/zinc/30/04/18/348300418.db2.gz UFPKNHCJDZHBAI-QAPCUYQASA-N 1 0 283.419 2.925 10 30 CFEERO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCC[C@H](O)C1 ZINC000311705604 348414700 /nfs/dbraw/zinc/41/47/00/348414700.db2.gz VBGYELSYXAXOCT-HOTGVXAUSA-N 1 0 258.365 2.541 10 30 CFEERO N#Cc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccn1 ZINC000328309929 348440837 /nfs/dbraw/zinc/44/08/37/348440837.db2.gz AVFIHRXGRIVAID-UHFFFAOYSA-N 1 0 267.376 2.868 10 30 CFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000390082631 348542458 /nfs/dbraw/zinc/54/24/58/348542458.db2.gz CZXSEOCSDJGLLP-HOTGVXAUSA-N 1 0 258.365 2.875 10 30 CFEERO C=CC[NH+](CC=C)C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000584627841 348694572 /nfs/dbraw/zinc/69/45/72/348694572.db2.gz KDVYCWWJAYQUKI-QGZVFWFLSA-N 1 0 287.403 2.589 10 30 CFEERO CC(C)[NH2+]CC/N=C/c1cc(Br)ccc1O ZINC000584635485 348698233 /nfs/dbraw/zinc/69/82/33/348698233.db2.gz JIBUUSBLOYJROJ-RIYZIHGNSA-N 1 0 285.185 2.572 10 30 CFEERO N#CCC[C@@](C#N)(c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000584649380 348701763 /nfs/dbraw/zinc/70/17/63/348701763.db2.gz XVNCPPYRSJRUQI-MRXNPFEDSA-N 1 0 271.339 2.890 10 30 CFEERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)c1 ZINC000105899895 186087417 /nfs/dbraw/zinc/08/74/17/186087417.db2.gz CTRISILTLVHBFK-QGZVFWFLSA-N 1 0 280.375 2.900 10 30 CFEERO CCCCCCCCNC(=O)[C@@H]([NH3+])CCSC ZINC000106273357 186106499 /nfs/dbraw/zinc/10/64/99/186106499.db2.gz DOUMLKRVZCUTJA-LBPRGKRZSA-N 1 0 260.447 2.544 10 30 CFEERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000600962529 350638166 /nfs/dbraw/zinc/63/81/66/350638166.db2.gz FUXJJNJFAZWOFK-SCZZXKLOSA-N 1 0 269.270 2.503 10 30 CFEERO N#Cc1cc(F)c(N[C@H]2CC[C@H](C[NH3+])CC2)c(F)c1 ZINC000600962884 350638947 /nfs/dbraw/zinc/63/89/47/350638947.db2.gz OKEWWZMBYCUKQG-HOMQSWHASA-N 1 0 265.307 2.766 10 30 CFEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)cc1Br ZINC000600952450 350636043 /nfs/dbraw/zinc/63/60/43/350636043.db2.gz WTNHTQZGUAMFAX-WCQYABFASA-N 1 0 294.196 2.873 10 30 CFEERO N#Cc1cc(NCC[NH2+]C2CCCCCC2)ccn1 ZINC000130130512 187472562 /nfs/dbraw/zinc/47/25/62/187472562.db2.gz ZSVYUWDKSZEALZ-UHFFFAOYSA-N 1 0 258.369 2.678 10 30 CFEERO N#Cc1ccc([C@H]2CCN(CC[NH3+])c3ccccc32)cc1 ZINC000616589524 352377068 /nfs/dbraw/zinc/37/70/68/352377068.db2.gz IAMFCWIBTFFBBU-MRXNPFEDSA-N 1 0 277.371 2.859 10 30 CFEERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccccc2C#N)C1 ZINC000616660873 352402697 /nfs/dbraw/zinc/40/26/97/352402697.db2.gz PXFXRJPHXQIUIJ-AWEZNQCLSA-N 1 0 258.365 2.773 10 30 CFEERO N#Cc1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C(F)(F)F ZINC000261727995 283166294 /nfs/dbraw/zinc/16/62/94/283166294.db2.gz QTBGRILSDYNQIG-RISCZKNCSA-N 1 0 295.308 2.765 10 30 CFEERO N#Cc1cccc(N2CCC[C@H]([NH+]3CCCCCC3)C2)n1 ZINC000301880065 283208434 /nfs/dbraw/zinc/20/84/34/283208434.db2.gz ZOZNGNUVFAAZQT-INIZCTEOSA-N 1 0 284.407 2.798 10 30 CFEERO N#C[C@@H]1CCOC12CC[NH+](Cc1ccccc1)CC2 ZINC000675080714 540676661 /nfs/dbraw/zinc/67/66/61/540676661.db2.gz TYNVPTUAOFEZIL-HNNXBMFYSA-N 1 0 256.349 2.581 10 30 CFEERO C[NH+](C)C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 ZINC000176890621 189013327 /nfs/dbraw/zinc/01/33/27/189013327.db2.gz GYUZLZVCRUHTJF-CQSZACIVSA-N 1 0 299.399 2.652 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccccc1C#N ZINC000176986712 189018725 /nfs/dbraw/zinc/01/87/25/189018725.db2.gz VCUUZDCYVDIZLQ-SXSDINLZSA-N 1 0 297.402 2.514 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1C#N ZINC000180830514 189278051 /nfs/dbraw/zinc/27/80/51/189278051.db2.gz JWXQZDJMLYCACD-IAGOWNOFSA-N 1 0 287.382 2.756 10 30 CFEERO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000180881803 189281805 /nfs/dbraw/zinc/28/18/05/189281805.db2.gz SIILKUZMFVBYMY-JSGCOSHPSA-N 1 0 279.380 2.682 10 30 CFEERO CCCCCNC(=[NH2+])Nc1nc(-c2c[nH]c(C)n2)cs1 ZINC000031415524 541050925 /nfs/dbraw/zinc/05/09/25/541050925.db2.gz OZSXWXGDJLBJQO-UHFFFAOYSA-N 1 0 292.412 2.568 10 30 CFEERO CC[C@H](CNc1cc(C)nc(C)c1C#N)[NH+]1CCCC1 ZINC000301799209 201202970 /nfs/dbraw/zinc/20/29/70/201202970.db2.gz VEDSEPQGLUKVBF-CQSZACIVSA-N 1 0 272.396 2.856 10 30 CFEERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(C#N)cc1 ZINC000251749436 299365079 /nfs/dbraw/zinc/36/50/79/299365079.db2.gz QUHOLUDEABMYEL-APHBMKBZSA-N 1 0 258.365 2.902 10 30 CFEERO CC1(C)CCC[NH2+][C@@H]1CNc1ccc(C#N)cc1F ZINC000232887233 189818527 /nfs/dbraw/zinc/81/85/27/189818527.db2.gz FODYTMMEFUXTJY-CQSZACIVSA-N 1 0 261.344 2.887 10 30 CFEERO C=C1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3C)[C@H]1O5 ZINC000005599915 371884846 /nfs/dbraw/zinc/88/48/46/371884846.db2.gz LBCZKDPFDXFDTN-GGNLRSJOSA-N 1 0 283.371 2.617 10 30 CFEERO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000012669079 371980259 /nfs/dbraw/zinc/98/02/59/371980259.db2.gz NVNIZEAWLZNZML-NWDGAFQWSA-N 1 0 259.353 2.519 10 30 CFEERO CCC[N@H+](CCC#N)[C@@H]1CCc2c(O)cccc2C1 ZINC000028012134 372355839 /nfs/dbraw/zinc/35/58/39/372355839.db2.gz VPXYSXNSOBNJNU-CQSZACIVSA-N 1 0 258.365 2.875 10 30 CFEERO CCCC(CCC)=NOC[C@@H](O)C[NH2+]C(C)(C)C ZINC000029342401 372378047 /nfs/dbraw/zinc/37/80/47/372378047.db2.gz GHAKRDPHDJSKPV-ZDUSSCGKSA-N 1 0 258.406 2.708 10 30 CFEERO C#CCOc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000045945852 373039006 /nfs/dbraw/zinc/03/90/06/373039006.db2.gz OOAPCULLTKHXGY-GOSISDBHSA-N 1 0 281.355 2.522 10 30 CFEERO N#C[C@@H]1CCC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054823757 373529339 /nfs/dbraw/zinc/52/93/39/373529339.db2.gz SGNKNIVNFUOYSA-FUHWJXTLSA-N 1 0 283.419 2.933 10 30 CFEERO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000061892251 373738569 /nfs/dbraw/zinc/73/85/69/373738569.db2.gz AGHDRKWYESYZEP-ZBFHGGJFSA-N 1 0 266.348 2.654 10 30 CFEERO C[NH2+]CCC1CCN(c2ccc(C#N)cc2F)CC1 ZINC000070190209 374143097 /nfs/dbraw/zinc/14/30/97/374143097.db2.gz HHJDQIBBBDYMPU-UHFFFAOYSA-N 1 0 261.344 2.523 10 30 CFEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1 ZINC000089161443 374878940 /nfs/dbraw/zinc/87/89/40/374878940.db2.gz KZSGQZFBXJIBBQ-HOCLYGCPSA-N 1 0 261.365 2.502 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(C#N)ccc1F ZINC000092628658 375130283 /nfs/dbraw/zinc/13/02/83/375130283.db2.gz XNKGFUASLBPSRX-HNNXBMFYSA-N 1 0 275.371 2.613 10 30 CFEERO CCN1CCC[C@H]1C[N@H+](C)CCCC(C)(C)C#N ZINC000092628789 375130339 /nfs/dbraw/zinc/13/03/39/375130339.db2.gz XPKJHPSMELRBKE-AWEZNQCLSA-N 1 0 251.418 2.732 10 30 CFEERO CCCN(c1nc(C(F)(F)F)ccc1C#N)[C@H]1CC[NH2+]C1 ZINC000094337434 375352189 /nfs/dbraw/zinc/35/21/89/375352189.db2.gz ZNIIQBKGPMEVAD-NSHDSACASA-N 1 0 298.312 2.550 10 30 CFEERO C=CC1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000124190271 377023467 /nfs/dbraw/zinc/02/34/67/377023467.db2.gz OJXDXWRTNLCCKJ-MRXNPFEDSA-N 1 0 293.455 2.714 10 30 CFEERO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000124965494 377106443 /nfs/dbraw/zinc/10/64/43/377106443.db2.gz KCCZALFRUNEIIE-QWHCGFSZSA-N 1 0 266.410 2.997 10 30 CFEERO Cn1cc([C@H]2CC[N@H+](CC(C)(C)CCC#N)C2)cn1 ZINC000128557130 377346656 /nfs/dbraw/zinc/34/66/56/377346656.db2.gz FQURUDJWBLZIQQ-ZDUSSCGKSA-N 1 0 260.385 2.539 10 30 CFEERO C#CC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000149351238 378263507 /nfs/dbraw/zinc/26/35/07/378263507.db2.gz UMRPBXLVMYYHDA-MRVPVSSYSA-N 1 0 256.118 2.872 10 30 CFEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC#Cc1cccc(Cl)c1 ZINC000154749711 378593144 /nfs/dbraw/zinc/59/31/44/378593144.db2.gz KJGNSEJVQZQPNQ-RHSMWYFYSA-N 1 0 288.822 2.860 10 30 CFEERO C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H]1[NH+](C)C ZINC000162925813 378943380 /nfs/dbraw/zinc/94/33/80/378943380.db2.gz LTVNMFXZRARIHQ-ABAIWWIYSA-N 1 0 277.799 2.594 10 30 CFEERO C[C@H](CC[NH2+]Cc1ccc(C#N)o1)NC(=O)OC(C)(C)C ZINC000174355673 379871375 /nfs/dbraw/zinc/87/13/75/379871375.db2.gz VAUZWTTUYIEYMG-LLVKDONJSA-N 1 0 293.367 2.544 10 30 CFEERO C[C@@H](C[NH3+])CNc1ccc(C#N)cc1C(F)(F)F ZINC000336794531 380641659 /nfs/dbraw/zinc/64/16/59/380641659.db2.gz CPTLESVBKNVDQS-QMMMGPOBSA-N 1 0 257.259 2.584 10 30 CFEERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)[C@@H]1CCCO1 ZINC000187495705 382197515 /nfs/dbraw/zinc/19/75/15/382197515.db2.gz SFFQPVMBHYMARH-YGRLFVJLSA-N 1 0 264.756 2.869 10 30 CFEERO Cc1cc(NC[C@H]2CCC(C)(C)O2)c(C#N)c(C)n1 ZINC000302363768 382243437 /nfs/dbraw/zinc/24/34/37/382243437.db2.gz DHKNPDNVXHSEOG-GFCCVEGCSA-N 1 0 259.353 2.940 10 30 CFEERO N#Cc1cc2c(nc1N[C@@H]1CCCC[C@H]1[NH3+])CCCC2 ZINC000043409832 184559565 /nfs/dbraw/zinc/55/95/65/184559565.db2.gz GFKBTJDKBQYWTG-UKRRQHHQSA-N 1 0 270.380 2.514 10 30 CFEERO C[C@H]1CC[NH2+]C[C@@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000389780525 382616054 /nfs/dbraw/zinc/61/60/54/382616054.db2.gz DOCFTHIEXCTLJK-NHYWBVRUSA-N 1 0 266.348 2.516 10 30 CFEERO N#Cc1cccc(N[C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000336832522 382726918 /nfs/dbraw/zinc/72/69/18/382726918.db2.gz FQZQHIFODYGNPF-HNNXBMFYSA-N 1 0 266.348 2.845 10 30 CFEERO C=CCCCCCN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237045320 382947674 /nfs/dbraw/zinc/94/76/74/382947674.db2.gz RSMWSUCKDLNYPQ-KBPBESRZSA-N 1 0 252.402 2.709 10 30 CFEERO C=CCOc1cccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000245561724 383008422 /nfs/dbraw/zinc/00/84/22/383008422.db2.gz OEJJDXXPCSSUIB-KRWDZBQOSA-N 1 0 286.419 2.922 10 30 CFEERO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000245993895 383056598 /nfs/dbraw/zinc/05/65/98/383056598.db2.gz HAFYCYIQXIWBCE-KGLIPLIRSA-N 1 0 280.437 2.958 10 30 CFEERO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248588943 383266844 /nfs/dbraw/zinc/26/68/44/383266844.db2.gz KMBFGSCROCBNOV-BFHYXJOUSA-N 1 0 280.412 2.798 10 30 CFEERO CCN1CCC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000249614911 383354053 /nfs/dbraw/zinc/35/40/53/383354053.db2.gz SVIUTAXIKBYVHH-CJNGLKHVSA-N 1 0 257.381 2.693 10 30 CFEERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000249615248 383354273 /nfs/dbraw/zinc/35/42/73/383354273.db2.gz XKIVVYRHVQOHDT-CJNGLKHVSA-N 1 0 257.381 2.693 10 30 CFEERO Cc1nc(NCC2(C)CC[NH2+]CC2)c(Cl)cc1C#N ZINC000261590207 383523148 /nfs/dbraw/zinc/52/31/48/383523148.db2.gz LDIJKSMJNZPWQL-UHFFFAOYSA-N 1 0 278.787 2.717 10 30 CFEERO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000181337698 393493403 /nfs/dbraw/zinc/49/34/03/393493403.db2.gz SQGJUFACDOZBQO-ZDUSSCGKSA-N 1 0 291.370 2.547 10 30 CFEERO C[C@H]([NH3+])[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N ZINC000261593478 393947985 /nfs/dbraw/zinc/94/79/85/393947985.db2.gz ZEBNBSDZDBDGDF-YUMQZZPRSA-N 1 0 257.259 2.725 10 30 CFEERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122328892 393967826 /nfs/dbraw/zinc/96/78/26/393967826.db2.gz GZHIQRLDSATAQR-KGLIPLIRSA-N 1 0 287.407 2.660 10 30 CFEERO CCc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122329358 393968108 /nfs/dbraw/zinc/96/81/08/393968108.db2.gz GZHIQRLDSATAQR-ZIAGYGMSSA-N 1 0 287.407 2.660 10 30 CFEERO C=CCC[C@H](CC)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732894 134507855 /nfs/dbraw/zinc/50/78/55/134507855.db2.gz RIXKPTPTTAJELU-LSDHHAIUSA-N 1 0 274.412 2.780 10 30 CFEERO N#CCCCOc1cccc(N[C@H]2CCC[NH2+]CC2)c1 ZINC000133751942 394182184 /nfs/dbraw/zinc/18/21/84/394182184.db2.gz HQLQLEBRQXQITJ-AWEZNQCLSA-N 1 0 273.380 2.923 10 30 CFEERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC000135689871 394225345 /nfs/dbraw/zinc/22/53/45/394225345.db2.gz GLHOLNDDYVZLKL-GFCCVEGCSA-N 1 0 265.426 2.686 10 30 CFEERO C[C@H]1CCCC[C@@]12NCC[NH+]=C2NCc1cccc(F)c1 ZINC000046153249 397579903 /nfs/dbraw/zinc/57/99/03/397579903.db2.gz LPAKEXKWZXNPTJ-SUMWQHHRSA-N 1 0 289.398 2.866 10 30 CFEERO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1ccccc1C#N ZINC000009998013 170394443 /nfs/dbraw/zinc/39/44/43/170394443.db2.gz ZQAKXVNCKHJCKG-CHWSQXEVSA-N 1 0 271.364 2.760 10 30 CFEERO C#Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000019470684 170804299 /nfs/dbraw/zinc/80/42/99/170804299.db2.gz CGKBKKSQYLPZGA-KBMXLJTQSA-N 1 0 268.360 2.527 10 30 CFEERO C[NH+](C)CCN[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000020175379 171041879 /nfs/dbraw/zinc/04/18/79/171041879.db2.gz YRJNATPDCOWBGV-OAHLLOKOSA-N 1 0 259.397 2.700 10 30 CFEERO CC[N@H+](Cc1cccc(/C(N)=N/O)c1)C1CCCC1 ZINC000035766248 172407224 /nfs/dbraw/zinc/40/72/24/172407224.db2.gz DHZRWCYEYVUOAU-UHFFFAOYSA-N 1 0 261.369 2.546 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000661119223 413770427 /nfs/dbraw/zinc/77/04/27/413770427.db2.gz QIDOKHUYLUGQPT-ILXRZTDVSA-N 1 0 269.429 2.887 10 30 CFEERO CCC[NH+]1CCN([C@@H]2C[C@H](CC)CC[C@@H]2C#N)CC1 ZINC000037146427 172983678 /nfs/dbraw/zinc/98/36/78/172983678.db2.gz RKDDZWFRRUTPEQ-BZUAXINKSA-N 1 0 263.429 2.732 10 30 CFEERO C#CCN1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000037234870 173053015 /nfs/dbraw/zinc/05/30/15/173053015.db2.gz FHRZIXGVLJUNIL-CYBMUJFWSA-N 1 0 260.356 2.574 10 30 CFEERO C#CCOc1c(Cl)cc(C[NH2+]CCC)cc1OC ZINC000037486618 173230251 /nfs/dbraw/zinc/23/02/51/173230251.db2.gz RQPIELPLUWPZJJ-UHFFFAOYSA-N 1 0 267.756 2.860 10 30 CFEERO CC(C)[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037618292 173567220 /nfs/dbraw/zinc/56/72/20/173567220.db2.gz PLXGNZSSYLJKQT-UHFFFAOYSA-N 1 0 265.744 2.538 10 30 CFEERO CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000040459350 174269595 /nfs/dbraw/zinc/26/95/95/174269595.db2.gz POGGEVLZXYNYNC-LLVKDONJSA-N 1 0 265.744 2.524 10 30 CFEERO CCN(Cc1ccc(C#N)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748319 174393234 /nfs/dbraw/zinc/39/32/34/174393234.db2.gz VBHUQRUPEJZELI-XYPWUTKMSA-N 1 0 287.382 2.802 10 30 CFEERO CCN(c1cccc(F)c1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748801 174393991 /nfs/dbraw/zinc/39/39/91/174393991.db2.gz GVTZRNJKDOUZQS-FUNVUKJBSA-N 1 0 273.355 2.807 10 30 CFEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)C1CCCCC1 ZINC000042364929 174697388 /nfs/dbraw/zinc/69/73/88/174697388.db2.gz OGKUELZCOCUEMQ-UHFFFAOYSA-N 1 0 290.432 2.597 10 30 CFEERO CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)C[C@@H](C)C#N ZINC000042972911 174936469 /nfs/dbraw/zinc/93/64/69/174936469.db2.gz MYILCOSGAKQYPO-TUKIKUTGSA-N 1 0 263.360 2.696 10 30 CFEERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CCC#N ZINC000043090990 174964078 /nfs/dbraw/zinc/96/40/78/174964078.db2.gz VPZSDYYIQVLTPY-GWCFXTLKSA-N 1 0 296.212 2.683 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)c1ccccn1 ZINC000043342985 175015605 /nfs/dbraw/zinc/01/56/05/175015605.db2.gz OHWMKWXKMHKYQL-GDBMZVCRSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1cccc(C#N)c1)c1cccnc1 ZINC000043350417 175019855 /nfs/dbraw/zinc/01/98/55/175019855.db2.gz LZGUWEZTQPFFRO-HZPDHXFCSA-N 1 0 267.332 2.811 10 30 CFEERO C[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)c1ccncc1 ZINC000043356211 175023642 /nfs/dbraw/zinc/02/36/42/175023642.db2.gz DQOIFQRLYLUGLJ-MEBBXXQBSA-N 1 0 271.295 2.560 10 30 CFEERO Cc1ccc([C@H](Oc2ccc(C#N)cc2)[C@@H](C)[NH3+])o1 ZINC000043366037 175026989 /nfs/dbraw/zinc/02/69/89/175026989.db2.gz LIPXTGSTCPPPFZ-IAQYHMDHSA-N 1 0 256.305 2.927 10 30 CFEERO CC(C)(C)CC(C)(C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000043438585 175045623 /nfs/dbraw/zinc/04/56/23/175045623.db2.gz JHGYNGFWXSJJSP-UHFFFAOYSA-N 1 0 286.419 2.941 10 30 CFEERO C#CCCOc1ccc2c(c1)OC(C)(C)C[C@H]2[NH2+]C ZINC000043460291 175051316 /nfs/dbraw/zinc/05/13/16/175051316.db2.gz PEOWFAWJEYKNBF-CQSZACIVSA-N 1 0 259.349 2.910 10 30 CFEERO CCC[NH2+]Cc1ccc(O[C@@H](C)C#N)c(OCC)c1 ZINC000043513463 175061517 /nfs/dbraw/zinc/06/15/17/175061517.db2.gz NOGZUIABDAIIKZ-LBPRGKRZSA-N 1 0 262.353 2.876 10 30 CFEERO COc1cc(C[NH2+]C2CC2)cc(Cl)c1O[C@H](C)C#N ZINC000043513392 175061557 /nfs/dbraw/zinc/06/15/57/175061557.db2.gz DUPBDMPSQFJGOI-SECBINFHSA-N 1 0 280.755 2.891 10 30 CFEERO CC[C@@H]([NH3+])Cc1ccc(O[C@@H](C#N)CC)c(OC)c1 ZINC000043543607 175064211 /nfs/dbraw/zinc/06/42/11/175064211.db2.gz NAYOBIOVEHOIBM-CHWSQXEVSA-N 1 0 262.353 2.656 10 30 CFEERO CCOc1cc(C[C@@H](C)[NH3+])ccc1O[C@H](C#N)CC ZINC000043543584 175064302 /nfs/dbraw/zinc/06/43/02/175064302.db2.gz WBUUGAIDVWLWOZ-YPMHNXCESA-N 1 0 262.353 2.656 10 30 CFEERO [NH3+]CC#Cc1ccc(C(=O)Nc2ccccc2F)cc1F ZINC000043582601 175070023 /nfs/dbraw/zinc/07/00/23/175070023.db2.gz WIBQLSPLBLREQC-UHFFFAOYSA-N 1 0 286.281 2.527 10 30 CFEERO [NH3+]CC#Cc1ccc(C(=O)Nc2cccc(F)c2)cc1F ZINC000043582587 175070096 /nfs/dbraw/zinc/07/00/96/175070096.db2.gz MNGPCKPYJDBISD-UHFFFAOYSA-N 1 0 286.281 2.527 10 30 CFEERO [NH3+]CC#Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1F ZINC000043582596 175070208 /nfs/dbraw/zinc/07/02/08/175070208.db2.gz LTQQDJAZEPLEBH-UHFFFAOYSA-N 1 0 286.281 2.527 10 30 CFEERO Cc1ccc(NC(=O)c2ccc(C#CC[NH3+])c(F)c2)cc1 ZINC000043589586 175073502 /nfs/dbraw/zinc/07/35/02/175073502.db2.gz QZTXNVGSEGHYCJ-UHFFFAOYSA-N 1 0 282.318 2.697 10 30 CFEERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C#CCO)s1 ZINC000043679261 175090040 /nfs/dbraw/zinc/09/00/40/175090040.db2.gz QAUOKEYJRBHYBJ-BETUJISGSA-N 1 0 263.406 2.855 10 30 CFEERO C[N@H+](Cc1ccc(C#CCCO)s1)C1CCCC1 ZINC000043679445 175090439 /nfs/dbraw/zinc/09/04/39/175090439.db2.gz HQZWVJAFYQCQBR-UHFFFAOYSA-N 1 0 263.406 2.856 10 30 CFEERO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C#CCO)s1 ZINC000043679718 175090574 /nfs/dbraw/zinc/09/05/74/175090574.db2.gz VKCQETZGJJKAMS-GFCCVEGCSA-N 1 0 251.395 2.568 10 30 CFEERO CCC(CC)[N@H+](C)Cc1ccc(C#CCO)s1 ZINC000043681184 175090862 /nfs/dbraw/zinc/09/08/62/175090862.db2.gz YFIVYBZACCENBM-UHFFFAOYSA-N 1 0 251.395 2.712 10 30 CFEERO CCC(CC)[N@H+](C)Cc1sccc1C#CCO ZINC000043681186 175091160 /nfs/dbraw/zinc/09/11/60/175091160.db2.gz CKADOPMRKJPVLD-UHFFFAOYSA-N 1 0 251.395 2.712 10 30 CFEERO N#Cc1c(F)cccc1OCc1ccc(C#CC[NH3+])s1 ZINC000043685291 175093765 /nfs/dbraw/zinc/09/37/65/175093765.db2.gz RSXBUOQIIVELLI-UHFFFAOYSA-N 1 0 286.331 2.648 10 30 CFEERO N#Cc1ccccc1OCc1sccc1C#CC[NH3+] ZINC000043685109 175093897 /nfs/dbraw/zinc/09/38/97/175093897.db2.gz LDPWSURXTKYCRU-UHFFFAOYSA-N 1 0 268.341 2.509 10 30 CFEERO C[C@@H](C[NH+]1CCCC1)Nc1nc2c(cc1C#N)CCCC2 ZINC000044420060 175173908 /nfs/dbraw/zinc/17/39/08/175173908.db2.gz AUWOSYQITIXHAB-ZDUSSCGKSA-N 1 0 284.407 2.728 10 30 CFEERO [NH3+]CC#Cc1ccccc1Cn1ccnc1-c1cccs1 ZINC000045048661 175297184 /nfs/dbraw/zinc/29/71/84/175297184.db2.gz TWWOEGBLEGIAQF-UHFFFAOYSA-N 1 0 293.395 2.970 10 30 CFEERO CC[C@H]1CC[C@@H](C#N)[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071189147 176064784 /nfs/dbraw/zinc/06/47/84/176064784.db2.gz XDFULRVCJYVIPU-XUWVNRHRSA-N 1 0 263.429 2.588 10 30 CFEERO COCCN(CCC#N)c1ccc([C@H](C)[NH3+])cc1Cl ZINC000071226217 176089655 /nfs/dbraw/zinc/08/96/55/176089655.db2.gz CSMPVFUBQUZUDX-NSHDSACASA-N 1 0 281.787 2.726 10 30 CFEERO C[C@H](CC[NH3+])CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000079191752 177442114 /nfs/dbraw/zinc/44/21/14/177442114.db2.gz WKHPOYVBHBOQDV-JTQLQIEISA-N 1 0 291.420 2.812 10 30 CFEERO CC[C@@H](CC[NH3+])CCC(=O)Nc1cc(C#N)ccc1C ZINC000079212867 177448212 /nfs/dbraw/zinc/44/82/12/177448212.db2.gz PMOMFWMUUACCKV-CYBMUJFWSA-N 1 0 273.380 2.960 10 30 CFEERO N#CC1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000079841105 260177505 /nfs/dbraw/zinc/17/75/05/260177505.db2.gz RTRQWMHGAKFSCD-UHFFFAOYSA-N 1 0 251.333 2.970 10 30 CFEERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000123189085 268005874 /nfs/dbraw/zinc/00/58/74/268005874.db2.gz JDPWWOYZJKSHJC-WMLDXEAASA-N 1 0 287.407 2.700 10 30 CFEERO N#Cc1ccc(Cl)cc1N[C@H](CC[NH3+])C(F)F ZINC000394817983 268101878 /nfs/dbraw/zinc/10/18/78/268101878.db2.gz RVZLRUUPSSKRJF-SECBINFHSA-N 1 0 259.687 2.606 10 30 CFEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(Br)cc1C#N ZINC000229256323 274419221 /nfs/dbraw/zinc/41/92/21/274419221.db2.gz FZCGDZJHZFSGKF-CABZTGNLSA-N 1 0 294.196 2.873 10 30 CFEERO N#Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F ZINC000261812877 274920844 /nfs/dbraw/zinc/92/08/44/274920844.db2.gz ZUZMLKKSRVSHRN-WFBYXXMGSA-N 1 0 295.308 2.751 10 30 CFEERO N#Cc1ccc(Cl)cc1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252869118 274923022 /nfs/dbraw/zinc/92/30/22/274923022.db2.gz RTLLXNKVPNUCJR-UBHSHLNASA-N 1 0 275.783 2.775 10 30 CFEERO C[C@@]1(C[NH3+])CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000261703528 279158508 /nfs/dbraw/zinc/15/85/08/279158508.db2.gz IVFIOZVKHOYPIN-ZDUSSCGKSA-N 1 0 283.297 2.752 10 30 CFEERO N#C[C@H]1CC[C@H]([NH+]2CCC(c3noc(C4CC4)n3)CC2)C1 ZINC000328793099 328458443 /nfs/dbraw/zinc/45/84/43/328458443.db2.gz BYTKOAAWZCAGJU-FZMZJTMJSA-N 1 0 286.379 2.819 10 30 CFEERO c1ccc2c(c1)NC(=NC1CCCC1)C1(CC[NH2+]CC1)N2 ZINC000032918723 326898335 /nfs/dbraw/zinc/89/83/35/326898335.db2.gz ATPKLFZKJVWQRZ-UHFFFAOYSA-N 1 0 284.407 2.987 10 30 CFEERO C=CCC1(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CCC1 ZINC000189261270 329379092 /nfs/dbraw/zinc/37/90/92/329379092.db2.gz ZIOFHNZLPWPPRL-KBPBESRZSA-N 1 0 264.413 2.578 10 30 CFEERO CCCCCCCCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116787867 329545241 /nfs/dbraw/zinc/54/52/41/329545241.db2.gz IUISFMQCNXBLRZ-OAHLLOKOSA-N 1 0 284.444 2.526 10 30 CFEERO CC[NH+]=C(NCCc1cccs1)N[C@H]1CC1(C)C ZINC000262273460 330003385 /nfs/dbraw/zinc/00/33/85/330003385.db2.gz VFNZEJFEWBFRRX-LBPRGKRZSA-N 1 0 265.426 2.644 10 30 CFEERO [NH2+]=C(NCC1(C(F)F)CC1)Nc1cc(F)ccc1F ZINC000262290102 330004531 /nfs/dbraw/zinc/00/45/31/330004531.db2.gz NKGJHSJXUFYLKE-UHFFFAOYSA-N 1 0 275.249 2.737 10 30 CFEERO C#C[C@H](NC(=[NH2+])Nc1ccccc1COC)C(C)(C)C ZINC000262332957 330006592 /nfs/dbraw/zinc/00/65/92/330006592.db2.gz VXECKPXXBOIUBO-AWEZNQCLSA-N 1 0 273.380 2.608 10 30 CFEERO CC[C@@H](C)NC(=[NH2+])NCc1c(C)c2ccccc2n1C ZINC000262336588 330006727 /nfs/dbraw/zinc/00/67/27/330006727.db2.gz GESGVDJSVPJSPL-LLVKDONJSA-N 1 0 272.396 2.690 10 30 CFEERO CC[C@@H](C)NC(=[NH2+])NCc1ncoc1-c1ccccc1 ZINC000262547023 330020545 /nfs/dbraw/zinc/02/05/45/330020545.db2.gz SHNGOBFZAOVYNE-LLVKDONJSA-N 1 0 272.352 2.544 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N(C)Cc1ccc(Cl)cc1 ZINC000262567811 330021750 /nfs/dbraw/zinc/02/17/50/330021750.db2.gz MEPXEFRDRQAFTA-ZWNOBZJWSA-N 1 0 265.788 2.756 10 30 CFEERO C[NH+]=C(NC1CCC1)N1CCC(OCC2CCCC2)CC1 ZINC000262789980 330031580 /nfs/dbraw/zinc/03/15/80/330031580.db2.gz NMXVMWHVNQCYSG-UHFFFAOYSA-N 1 0 293.455 2.786 10 30 CFEERO CC[C@H](C)NC(NCc1nccc2ccccc21)=[NH+]C ZINC000263248111 330050635 /nfs/dbraw/zinc/05/06/35/330050635.db2.gz NQWYYCUCENXIOI-LBPRGKRZSA-N 1 0 270.380 2.698 10 30 CFEERO C#C[C@H]([NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000400434211 332709751 /nfs/dbraw/zinc/70/97/51/332709751.db2.gz KWSNPWDHAPSAKF-KFWWJZLASA-N 1 0 294.439 2.879 10 30 CFEERO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000185928923 333151889 /nfs/dbraw/zinc/15/18/89/333151889.db2.gz GVPFTVOHHCYGKG-HUUCEWRRSA-N 1 0 266.429 2.825 10 30 CFEERO CC(C)CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000249051729 334325978 /nfs/dbraw/zinc/32/59/78/334325978.db2.gz XPUHTDJEGAMNSF-OWCLPIDISA-N 1 0 263.429 2.779 10 30 CFEERO CCCC[N@H+](CC)Cc1ccc(F)c(C#CCO)c1 ZINC000049616449 520478634 /nfs/dbraw/zinc/47/86/34/520478634.db2.gz DRJIBVMFHZGANN-UHFFFAOYSA-N 1 0 263.356 2.792 10 30 CFEERO CCCC[N@H+](CC)Cc1ccc(OC)c(C#CCO)c1 ZINC000049616443 520479412 /nfs/dbraw/zinc/47/94/12/520479412.db2.gz KESHFKWQDFFJPB-UHFFFAOYSA-N 1 0 275.392 2.661 10 30 CFEERO C#CC[C@@H](Cc1cccc(Br)c1)[NH2+]CC ZINC000051074976 518338912 /nfs/dbraw/zinc/33/89/12/518338912.db2.gz MMQVXDIMSIWZBO-ZDUSSCGKSA-N 1 0 266.182 2.993 10 30 CFEERO CC(C)CCC(=O)N[C@@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587096 519635873 /nfs/dbraw/zinc/63/58/73/519635873.db2.gz MJJXHSPPLULXEF-AWEZNQCLSA-N 1 0 272.392 2.610 10 30 CFEERO CC(C)[C@H]([NH3+])CNc1ccc(Br)cc1C#N ZINC000165305181 519817884 /nfs/dbraw/zinc/81/78/84/519817884.db2.gz CXSRMTNAQHWRRC-LLVKDONJSA-N 1 0 282.185 2.716 10 30 CFEERO CCC[NH+]1CCC(n2c(C)c(C)c(C#N)c2N)CC1 ZINC000049559794 519847820 /nfs/dbraw/zinc/84/78/20/519847820.db2.gz KTVJGGMFTMLOFN-UHFFFAOYSA-N 1 0 260.385 2.606 10 30 CFEERO CCCCC(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061691977 519913645 /nfs/dbraw/zinc/91/36/45/519913645.db2.gz BYCMBIXIKAEUKC-UHFFFAOYSA-N 1 0 264.756 2.779 10 30 CFEERO CCCN[C@H](C#N)CC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000062437371 520060829 /nfs/dbraw/zinc/06/08/29/520060829.db2.gz OXMSEWNENPNQIS-SOUVJXGZSA-N 1 0 251.418 2.779 10 30 CFEERO CCC[NH2+][C@H](C)c1nnc(-c2cccc(C#N)c2)o1 ZINC000050619172 520067027 /nfs/dbraw/zinc/06/70/27/520067027.db2.gz QNNPIASUOCEOCY-SNVBAGLBSA-N 1 0 256.309 2.669 10 30 CFEERO CCCCCCC[C@H](C[NH3+])N1CCO[C@H](CC)C1 ZINC000059332736 520067890 /nfs/dbraw/zinc/06/78/90/520067890.db2.gz PNVAPEZCMOXEKU-HUUCEWRRSA-N 1 0 256.434 2.785 10 30 CFEERO CCCN[C@](C)(C#N)CC[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050567090 520102982 /nfs/dbraw/zinc/10/29/82/520102982.db2.gz ZJKLVEMAKCSXSK-KKUMJFAQSA-N 1 0 251.418 2.779 10 30 CFEERO CCCCC[C@@H](C)NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000049105961 520283678 /nfs/dbraw/zinc/28/36/78/520283678.db2.gz YCBPDRXXIKJQQQ-CYBMUJFWSA-N 1 0 290.382 2.835 10 30 CFEERO CC[N@H+](CC(C)C)[C@H](C/C(N)=N/O)c1ccccc1 ZINC000055020947 520415333 /nfs/dbraw/zinc/41/53/33/520415333.db2.gz PLSMZYVCOVKTOS-CQSZACIVSA-N 1 0 263.385 2.842 10 30 CFEERO CCC[C@H](C)C(=O)N[C@@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586694 521003938 /nfs/dbraw/zinc/00/39/38/521003938.db2.gz VBFKAVSZDUUEIV-KBPBESRZSA-N 1 0 272.392 2.610 10 30 CFEERO CCC[C@H](C)[N@H+](C)CCOc1ccc(C#CCO)cc1 ZINC000049613205 521034123 /nfs/dbraw/zinc/03/41/23/521034123.db2.gz KZDCEDRKQZDQFY-HNNXBMFYSA-N 1 0 275.392 2.530 10 30 CFEERO CC[N@H+](CCOc1ccc(C#CCO)cc1)C1CCCC1 ZINC000049618365 521149605 /nfs/dbraw/zinc/14/96/05/521149605.db2.gz XJPUQTSRGIAAEV-UHFFFAOYSA-N 1 0 287.403 2.674 10 30 CFEERO CC[N@H+](Cc1cc(C#CCCO)ccc1OC)C(C)C ZINC000049617429 521287473 /nfs/dbraw/zinc/28/74/73/521287473.db2.gz NVMAFWSNWMMJEI-UHFFFAOYSA-N 1 0 275.392 2.659 10 30 CFEERO CCC(CC)C(=O)N[C@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587228 521500470 /nfs/dbraw/zinc/50/04/70/521500470.db2.gz UQSRRCJQQZSQDF-CYBMUJFWSA-N 1 0 272.392 2.610 10 30 CFEERO CCC(CC)[N@H+](C)Cc1cc(C#CCO)ccc1OC ZINC000049618655 521542622 /nfs/dbraw/zinc/54/26/22/521542622.db2.gz ZDRXEDIGIYTKJQ-UHFFFAOYSA-N 1 0 275.392 2.659 10 30 CFEERO CCCN(Cc1cc(F)ccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000069402157 521681458 /nfs/dbraw/zinc/68/14/58/521681458.db2.gz FMFLZMGZCSTQQQ-MRXNPFEDSA-N 1 0 275.371 2.661 10 30 CFEERO CCC[N@H+](Cc1ccc(OC)c(C#CCO)c1)C(C)C ZINC000049617655 521684265 /nfs/dbraw/zinc/68/42/65/521684265.db2.gz NGAZWGGQXUSFOF-UHFFFAOYSA-N 1 0 275.392 2.659 10 30 CFEERO CC[C@H](NC(=O)c1ccc(C#CC[NH3+])cc1)c1cccs1 ZINC000049533321 522528272 /nfs/dbraw/zinc/52/82/72/522528272.db2.gz OFAAYACNHIWEIX-HNNXBMFYSA-N 1 0 298.411 2.939 10 30 CFEERO CC[C@@H]1CCC[N@@H+]1CCOc1ccc(C#CCCO)cc1 ZINC000049615100 523266604 /nfs/dbraw/zinc/26/66/04/523266604.db2.gz GIFROVCYZRHEKD-QGZVFWFLSA-N 1 0 287.403 2.674 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1 ZINC000245442850 523486571 /nfs/dbraw/zinc/48/65/71/523486571.db2.gz WQWWRWBCMOBQDX-SJORKVTESA-N 1 0 269.392 2.617 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(OC)c(C#N)c1 ZINC000246132635 523486697 /nfs/dbraw/zinc/48/66/97/523486697.db2.gz RMUZRVRLQHTIHR-SJORKVTESA-N 1 0 299.418 2.625 10 30 CFEERO COc1ccc(C#CCCO)cc1C[N@H+](C)CC(C)C ZINC000049617752 523511479 /nfs/dbraw/zinc/51/14/79/523511479.db2.gz JBXQZKRKTRNUPJ-UHFFFAOYSA-N 1 0 275.392 2.517 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1COCCC(C)C ZINC000049610611 523515084 /nfs/dbraw/zinc/51/50/84/523515084.db2.gz AOGYWOQDIDNOAY-UHFFFAOYSA-N 1 0 261.365 2.568 10 30 CFEERO COc1ccc(C#CCO)cc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000049616638 523520226 /nfs/dbraw/zinc/52/02/26/523520226.db2.gz INECQFUQDPAJIZ-GASCZTMLSA-N 1 0 287.403 2.517 10 30 CFEERO CC[C@H](C)C[N@H+](C)Cc1cc(C#CCCO)ccc1OC ZINC000049617872 523869258 /nfs/dbraw/zinc/86/92/58/523869258.db2.gz VIKLXMHHJODOCD-HNNXBMFYSA-N 1 0 289.419 2.907 10 30 CFEERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#CCCO)cc1 ZINC000049615699 524115052 /nfs/dbraw/zinc/11/50/52/524115052.db2.gz SGXGGVAQBXWZRI-OAHLLOKOSA-N 1 0 257.377 2.795 10 30 CFEERO C[C@@H]1CCCC[C@H]1OCCOc1ccc(C#CC[NH3+])cc1 ZINC000049610672 524180174 /nfs/dbraw/zinc/18/01/74/524180174.db2.gz GXFSSWNBYCIKBH-CRAIPNDOSA-N 1 0 287.403 2.971 10 30 CFEERO C[C@H]1CCC[C@](C[NH2+]CCCCC#N)(N(C)C)C1 ZINC000049578497 524222691 /nfs/dbraw/zinc/22/26/91/524222691.db2.gz KNRQDOPZLZXXSS-GJZGRUSLSA-N 1 0 251.418 2.780 10 30 CFEERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc(C#CCO)c1 ZINC000049616920 524278493 /nfs/dbraw/zinc/27/84/93/524278493.db2.gz LRPVRKATXVMCTM-HUUCEWRRSA-N 1 0 257.377 2.793 10 30 CFEERO C[C@@H](C[NH2+]Cc1cccc(OCC#N)c1)N1CCCCC1 ZINC000038028964 524743703 /nfs/dbraw/zinc/74/37/03/524743703.db2.gz LQFPUBAZNIMOQY-HNNXBMFYSA-N 1 0 287.407 2.553 10 30 CFEERO Cc1cccc(OCCOc2cccc(C#CC[NH3+])c2)c1 ZINC000049610498 524750856 /nfs/dbraw/zinc/75/08/56/524750856.db2.gz ATBHAWJHXYTVQU-UHFFFAOYSA-N 1 0 281.355 2.763 10 30 CFEERO COc1ccc(OCc2cccc(C#CC[NH3+])c2)cc1 ZINC000049610572 524974088 /nfs/dbraw/zinc/97/40/88/524974088.db2.gz PXQDXTHCFCFREK-UHFFFAOYSA-N 1 0 267.328 2.584 10 30 CFEERO COc1ccc(OCc2ccccc2C#CC[NH3+])cc1 ZINC000049610569 524974436 /nfs/dbraw/zinc/97/44/36/524974436.db2.gz JRJWUCYYQOAEOW-UHFFFAOYSA-N 1 0 267.328 2.584 10 30 CFEERO Cc1cc(NCC[N@@H+](C)C2CCCC2)c(C#N)c(C)n1 ZINC000156581580 525270292 /nfs/dbraw/zinc/27/02/92/525270292.db2.gz XARHOGCOFDWADN-UHFFFAOYSA-N 1 0 272.396 2.856 10 30 CFEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1ccc(C#CCO)cc1 ZINC000050566718 525639988 /nfs/dbraw/zinc/63/99/88/525639988.db2.gz MMVGLLWGYRJHDM-JKSUJKDBSA-N 1 0 287.403 2.530 10 30 CFEERO Cc1ccc([C@@H](C[NH3+])N(C)c2cccc(C#N)c2)o1 ZINC000061950315 525757611 /nfs/dbraw/zinc/75/76/11/525757611.db2.gz BHJNIJLAYGDDBA-CQSZACIVSA-N 1 0 255.321 2.596 10 30 CFEERO COc1cccc(CC[NH3+])c1OCC#Cc1ccccc1 ZINC000051814776 525891910 /nfs/dbraw/zinc/89/19/10/525891910.db2.gz KYRYQNBQULWHLJ-UHFFFAOYSA-N 1 0 281.355 2.627 10 30 CFEERO C[C@H]1CCCC[N@@H+]1Cc1ccc(C#CCCO)cc1F ZINC000049615709 526251212 /nfs/dbraw/zinc/25/12/12/526251212.db2.gz FFHLYMVIGUGEAG-AWEZNQCLSA-N 1 0 275.367 2.934 10 30 CFEERO N#Cc1cc(-n2c(N)[nH+]c3cc(F)ccc32)ccc1F ZINC000051637501 526538435 /nfs/dbraw/zinc/53/84/35/526538435.db2.gz FSSAQUNEZGWFEI-UHFFFAOYSA-N 1 0 270.242 2.758 10 30 CFEERO N#Cc1cc(Cl)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000052859394 526554042 /nfs/dbraw/zinc/55/40/42/526554042.db2.gz MUDNWOXRJQSNSK-SNVBAGLBSA-N 1 0 250.729 2.590 10 30 CFEERO N#Cc1cc2c(nc1N[C@H]1CCCCC[C@@H]1[NH3+])CCC2 ZINC000063214322 526579981 /nfs/dbraw/zinc/57/99/81/526579981.db2.gz SIURGTQLZQMFCK-ZFWWWQNUSA-N 1 0 270.380 2.514 10 30 CFEERO N#Cc1ccc(Cl)cc1OC[C@@H]1CCC[NH2+]C1 ZINC000062786602 526636790 /nfs/dbraw/zinc/63/67/90/526636790.db2.gz IUKGQTHIIMKYGH-SNVBAGLBSA-N 1 0 250.729 2.590 10 30 CFEERO N#Cc1ccc(Oc2cccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC000069331060 526678817 /nfs/dbraw/zinc/67/88/17/526678817.db2.gz COXQOJNPSGFZFX-UHFFFAOYSA-N 1 0 269.260 2.717 10 30 CFEERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)no1 ZINC000161044977 526920314 /nfs/dbraw/zinc/92/03/14/526920314.db2.gz CZWGVFFCWGFVHG-INIZCTEOSA-N 1 0 296.374 2.704 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1Cn1ncc2ccccc21 ZINC000050527414 527148689 /nfs/dbraw/zinc/14/86/89/527148689.db2.gz PGKDKNYMDLERNM-UHFFFAOYSA-N 1 0 279.318 2.534 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1COc1ccc(F)cc1 ZINC000049610521 527149120 /nfs/dbraw/zinc/14/91/20/527149120.db2.gz BDXOMOUTALFBAN-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO [NH3+]CC#Cc1cccc(C(=O)Nc2nc(C3CC3)cs2)c1 ZINC000049239576 527152246 /nfs/dbraw/zinc/15/22/46/527152246.db2.gz RRKOCCTVOCWYAE-UHFFFAOYSA-N 1 0 297.383 2.583 10 30 CFEERO [NH3+]CC#Cc1ccccc1CNC(=O)c1cccc(Cl)c1 ZINC000049586396 527155370 /nfs/dbraw/zinc/15/53/70/527155370.db2.gz OHYJYKBFSRGFPL-UHFFFAOYSA-N 1 0 298.773 2.580 10 30 CFEERO Cc1nc2ccccc2n1Cc1ccc(C#CC[NH3+])cc1 ZINC000049610028 527171824 /nfs/dbraw/zinc/17/18/24/527171824.db2.gz FHEVOLOFCFUJRP-UHFFFAOYSA-N 1 0 275.355 2.703 10 30 CFEERO OCC#Cc1cccc(OCC[NH+]2CCCCCCC2)c1 ZINC000049617057 527520580 /nfs/dbraw/zinc/52/05/80/527520580.db2.gz XAVAWYWKVNHAAN-UHFFFAOYSA-N 1 0 287.403 2.675 10 30 CFEERO C#CCC[NH2+]Cc1ccc(F)cc1Br ZINC000069769866 617972684 /nfs/dbraw/zinc/97/26/84/617972684.db2.gz CXQWGCFUNOZAAH-UHFFFAOYSA-N 1 0 256.118 2.701 10 30 CFEERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000040502747 618196779 /nfs/dbraw/zinc/19/67/79/618196779.db2.gz ZQMLGFZMBNCQAK-HOCLYGCPSA-N 1 0 287.407 2.724 10 30 CFEERO N#Cc1ccc(NC[C@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000236136224 618606504 /nfs/dbraw/zinc/60/65/04/618606504.db2.gz INLCKHVKSWZZJZ-SNVBAGLBSA-N 1 0 269.270 2.741 10 30 CFEERO N#Cc1sc(N[C@@H](C[NH3+])C2CCCCC2)nc1Cl ZINC000236236600 618613291 /nfs/dbraw/zinc/61/32/91/618613291.db2.gz DVVMAFYWZVUFNG-VIFPVBQESA-N 1 0 284.816 2.988 10 30 CFEERO CCN(c1ccc(C#N)cc1Br)[C@H]1CC[NH2+]C1 ZINC000214271434 619076654 /nfs/dbraw/zinc/07/66/54/619076654.db2.gz IQFIRICHVVMSHL-NSHDSACASA-N 1 0 294.196 2.509 10 30 CFEERO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000119308922 619129819 /nfs/dbraw/zinc/12/98/19/619129819.db2.gz GDZINFRMSBZSSP-ZJUUUORDSA-N 1 0 299.201 2.782 10 30 CFEERO Cc1nc(N[C@H](C[NH3+])C2CCCCC2)ccc1C#N ZINC000261576138 619172551 /nfs/dbraw/zinc/17/25/51/619172551.db2.gz BXAQJBHKRKCZBZ-CQSZACIVSA-N 1 0 258.369 2.581 10 30 CFEERO N#Cc1ccc(N[C@@H]2CCC[C@H]2C[NH3+])c(Br)c1 ZINC000089149096 620035451 /nfs/dbraw/zinc/03/54/51/620035451.db2.gz XJGDTAIYANKCIH-CMPLNLGQSA-N 1 0 294.196 2.860 10 30 CFEERO N#Cc1cc2ccccc2nc1NC[C@@H]1CCC[NH2+]C1 ZINC000071386047 625510860 /nfs/dbraw/zinc/51/08/60/625510860.db2.gz FTRVZIQIYAOTBF-GFCCVEGCSA-N 1 0 266.348 2.518 10 30 CFEERO CCCCCCCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000150759878 622743987 /nfs/dbraw/zinc/74/39/87/622743987.db2.gz LADGYCXUTJVTEI-ZIAGYGMSSA-N 1 0 254.418 2.981 10 30 CFEERO CCCCCCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000157986443 623086518 /nfs/dbraw/zinc/08/65/18/623086518.db2.gz XDTFMAXSKYTNTA-HNNXBMFYSA-N 1 0 265.401 2.554 10 30 CFEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1nc2ccccc2cc1C#N ZINC000229611966 623214915 /nfs/dbraw/zinc/21/49/15/623214915.db2.gz FTKKBKRCGDEHCS-RISCZKNCSA-N 1 0 266.348 2.659 10 30 CFEERO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000061891419 623240233 /nfs/dbraw/zinc/24/02/33/623240233.db2.gz NYPDFLCSTCDRJG-SKDRFNHKSA-N 1 0 250.729 2.827 10 30 CFEERO CCCCCCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000174635682 623451838 /nfs/dbraw/zinc/45/18/38/623451838.db2.gz LPYKFZQZFPBAHS-HZPDHXFCSA-N 1 0 298.471 2.651 10 30 CFEERO C#CCCOc1ccc(C[NH2+]C[C@H](C)N(CC)CC)cc1 ZINC000113318978 635532766 /nfs/dbraw/zinc/53/27/66/635532766.db2.gz CYJLOZTYPGRRPC-INIZCTEOSA-N 1 0 288.435 2.909 10 30 CFEERO C#CCC[NH2+]Cc1cccc(F)c1Br ZINC000156761725 650073460 /nfs/dbraw/zinc/07/34/60/650073460.db2.gz YSTMNAHLAGPEJY-UHFFFAOYSA-N 1 0 256.118 2.701 10 30 CFEERO CCCCCCC[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000118199205 637163892 /nfs/dbraw/zinc/16/38/92/637163892.db2.gz SRTPZWVMGJIMPP-LSDHHAIUSA-N 1 0 256.434 2.656 10 30 CFEERO CCCCCCC[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000246806810 650883832 /nfs/dbraw/zinc/88/38/32/650883832.db2.gz ALYWYHDDHFVFDK-INIZCTEOSA-N 1 0 270.461 2.999 10 30 CFEERO CC1(CNc2nc(C(F)(F)F)ccc2C#N)CC[NH2+]CC1 ZINC000129485483 645234392 /nfs/dbraw/zinc/23/43/92/645234392.db2.gz AVTFEJSIYXKPIO-UHFFFAOYSA-N 1 0 298.312 2.774 10 30 CFEERO C=C(Br)CN1C[C@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000129817665 645410332 /nfs/dbraw/zinc/41/03/32/645410332.db2.gz FXHKPWIJJJMFLM-QWHCGFSZSA-N 1 0 287.245 2.844 10 30 CFEERO C[C@@H]1CCCC[C@@H]1NC(=O)C[N+](C)(C)C1CCCC1 ZINC000029413751 717118499 /nfs/dbraw/zinc/11/84/99/717118499.db2.gz QYZYBZCZQLVNKN-HIFRSBDPSA-O 1 0 267.437 2.700 10 30 CFEERO C=C(C)CN(CC)C(=O)[C@H](C)[N+](C)(C)C1CCCC1 ZINC000073713133 717134838 /nfs/dbraw/zinc/13/48/38/717134838.db2.gz CCJZTWSCPJWMEZ-AWEZNQCLSA-N 1 0 267.437 2.819 10 30 CFEERO C[C@@H]1CCC[C@H](C)N1C(=O)C[N+](C)(C)C1CCCC1 ZINC000128730117 717150901 /nfs/dbraw/zinc/15/09/01/717150901.db2.gz AUVYGLRIIMMWFF-OKILXGFUSA-N 1 0 267.437 2.795 10 30 CFEERO CCCCCCCCCC[N+](C)(CCO)CCO ZINC000137403072 717151405 /nfs/dbraw/zinc/15/14/05/717151405.db2.gz ILWNCYJTWZIUBG-UHFFFAOYSA-N 1 0 260.442 2.558 10 30 CFEERO C#CC(C)(C)[NH2+]Cc1cccc(Br)c1 ZINC000069679384 346898001 /nfs/dbraw/zinc/89/80/01/346898001.db2.gz LJCWZOMWQDLOGV-UHFFFAOYSA-N 1 0 252.155 2.951 10 30 CFEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037321034 346328777 /nfs/dbraw/zinc/32/87/77/346328777.db2.gz YTUDDRAUYOYUEF-HUUCEWRRSA-N 1 0 261.365 2.645 10 30 CFEERO CNC(=[NH2+])Nc1c(Cl)cc(Cl)cc1Cl ZINC000052069046 346511929 /nfs/dbraw/zinc/51/19/29/346511929.db2.gz YYAZJQAKDSWWSN-UHFFFAOYSA-N 1 0 252.532 2.812 10 30 CFEERO C#CC[C@@H]([NH2+]C)c1csc(I)c1 ZINC000168575080 348049078 /nfs/dbraw/zinc/04/90/78/348049078.db2.gz DRYSDIKEYDOHSM-MRVPVSSYSA-N 1 0 291.157 2.637 10 30 CFEERO CCN(CC[N@H+](C)Cc1ccc(F)cc1)C[C@@H](C)C#N ZINC000173200829 348106759 /nfs/dbraw/zinc/10/67/59/348106759.db2.gz BMBLZMWQZAZFKP-AWEZNQCLSA-N 1 0 277.387 2.739 10 30 CFEERO C=C(Cl)C[NH2+]C1CC(NC(=O)OCc2ccccc2)C1 ZINC000236019642 348231138 /nfs/dbraw/zinc/23/11/38/348231138.db2.gz YCAZAGNPUNQVOI-UHFFFAOYSA-N 1 0 294.782 2.786 10 30 CFEERO CCOC(=O)C[N@@+]1(C)CCc2[nH]c3ccc(C)cc3c2C1 ZINC000253495622 348300914 /nfs/dbraw/zinc/30/09/14/348300914.db2.gz KVCCDWQRELMUKV-IBGZPJMESA-N 1 0 287.383 2.542 10 30 CFEERO CC(C)[C@H]([NH3+])C#Cc1cscc1Br ZINC000300998594 348370645 /nfs/dbraw/zinc/37/06/45/348370645.db2.gz WSNXHJZKKRKLAX-SNVBAGLBSA-N 1 0 258.184 2.845 10 30 CFEERO C=C[C@@H](C)CC1([C@H]([NH3+])Cc2ccccc2)OCCO1 ZINC000584614834 348690691 /nfs/dbraw/zinc/69/06/91/348690691.db2.gz LCEOWEGJBRZFRJ-UKRRQHHQSA-N 1 0 261.365 2.512 10 30 CFEERO CC1([NH3+])CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000591434429 349020644 /nfs/dbraw/zinc/02/06/44/349020644.db2.gz GQZJAZRMEKVWAO-UHFFFAOYSA-N 1 0 283.297 2.895 10 30 CFEERO N#Cc1ccc(F)c(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000105886717 186084409 /nfs/dbraw/zinc/08/44/09/186084409.db2.gz YZDFIDSFCSLCGJ-UHFFFAOYSA-N 1 0 298.365 2.806 10 30 CFEERO N#Cc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)c(F)c1 ZINC000105886712 186084418 /nfs/dbraw/zinc/08/44/18/186084418.db2.gz CMGWBUGGIQVYHB-UHFFFAOYSA-N 1 0 298.365 2.806 10 30 CFEERO C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@H]1C[NH3+] ZINC000600961731 350638118 /nfs/dbraw/zinc/63/81/18/350638118.db2.gz VUYNCHPDSALXIK-GXSJLCMTSA-N 1 0 283.297 2.608 10 30 CFEERO C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000600961336 350638126 /nfs/dbraw/zinc/63/81/26/350638126.db2.gz PYTZOTSTRQHTFG-KOLCDFICSA-N 1 0 283.297 2.608 10 30 CFEERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000600963229 350638955 /nfs/dbraw/zinc/63/89/55/350638955.db2.gz SUARYJAIPZNWOU-PSASIEDQSA-N 1 0 269.270 2.503 10 30 CFEERO N#Cc1cccc([C@H]2CCN(CC[NH3+])c3ccccc32)c1 ZINC000616590375 352376829 /nfs/dbraw/zinc/37/68/29/352376829.db2.gz OCIFYJHXOSQQAG-MRXNPFEDSA-N 1 0 277.371 2.859 10 30 CFEERO CC(C)(C)[N@@H+]1CCOC[C@H](c2ccc(C#N)cc2)C1 ZINC000616661578 352402735 /nfs/dbraw/zinc/40/27/35/352402735.db2.gz UYHFJYUTJIZTOC-OAHLLOKOSA-N 1 0 258.365 2.773 10 30 CFEERO N#Cc1cc(Cl)ccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252875551 283095036 /nfs/dbraw/zinc/09/50/36/283095036.db2.gz VTHZUDRQFTXOGH-LEWSCRJBSA-N 1 0 275.783 2.775 10 30 CFEERO CCCn1cc(Nc2cc(C)nc(C)c2C#N)cn1 ZINC000301759519 201180259 /nfs/dbraw/zinc/18/02/59/201180259.db2.gz FMSFPEACHFRXQL-UHFFFAOYSA-N 1 0 255.325 2.920 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N[C@H](C[NH3+])C1CCCC1 ZINC000236180598 189832704 /nfs/dbraw/zinc/83/27/04/189832704.db2.gz PXSCMGUKULIPBC-LLVKDONJSA-N 1 0 298.312 2.901 10 30 CFEERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccc(C#N)cc1 ZINC000037749437 372695650 /nfs/dbraw/zinc/69/56/50/372695650.db2.gz QUHOLUDEABMYEL-MAZHCROVSA-N 1 0 258.365 2.902 10 30 CFEERO C#CCOc1c(C[NH2+]CCCCC)cccc1OC ZINC000045945731 373039208 /nfs/dbraw/zinc/03/92/08/373039208.db2.gz OHKBVFQNMLNMLE-UHFFFAOYSA-N 1 0 261.365 2.987 10 30 CFEERO C[NH2+]C[C@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000062785783 373765882 /nfs/dbraw/zinc/76/58/82/373765882.db2.gz KVAOMBNFDQZZIX-LLVKDONJSA-N 1 0 263.772 2.647 10 30 CFEERO N#Cc1cc2c(nc1NC[C@H]([NH3+])c1ccccc1)CCC2 ZINC000062838468 373767239 /nfs/dbraw/zinc/76/72/39/373767239.db2.gz ZNFICPOUZCPJCU-HNNXBMFYSA-N 1 0 278.359 2.554 10 30 CFEERO C=CC[NH+](CC=C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000068048764 374020037 /nfs/dbraw/zinc/02/00/37/374020037.db2.gz BSNNFGWURFTXEP-MRXNPFEDSA-N 1 0 295.810 2.892 10 30 CFEERO N#C[C@@H]1[C@H]2CSC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000100558566 375624098 /nfs/dbraw/zinc/62/40/98/375624098.db2.gz MNHXONWSQPABFI-QDMKHBRRSA-N 1 0 258.390 2.621 10 30 CFEERO Cc1nnc(NCC[NH2+]C2CCCCCC2)c(C#N)c1C ZINC000112355391 375912778 /nfs/dbraw/zinc/91/27/78/375912778.db2.gz VXUAHKGQYCDJEQ-UHFFFAOYSA-N 1 0 287.411 2.689 10 30 CFEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000119306201 376391064 /nfs/dbraw/zinc/39/10/64/376391064.db2.gz ANYOJJHXCTUDRZ-KBPBESRZSA-N 1 0 280.371 2.628 10 30 CFEERO C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000127323649 377274689 /nfs/dbraw/zinc/27/46/89/377274689.db2.gz ZUSZMNVIWLLPHE-LBPRGKRZSA-N 1 0 288.819 2.976 10 30 CFEERO C[C@H]1CCC[C@@](CNc2ccc(C#N)nc2)([NH+](C)C)C1 ZINC000149373718 378263942 /nfs/dbraw/zinc/26/39/42/378263942.db2.gz CTKBGTDXQQZYTD-XJKSGUPXSA-N 1 0 272.396 2.876 10 30 CFEERO CN1C(=S)SC(C)(C)[C@@H]1/[N+](O)=C/c1ccccc1 ZINC000149673351 378265627 /nfs/dbraw/zinc/26/56/27/378265627.db2.gz YTGYYFRHHWFFEK-GPILYODUSA-N 1 0 281.426 2.575 10 30 CFEERO CCCCCCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000158069303 378662483 /nfs/dbraw/zinc/66/24/83/378662483.db2.gz AFQILQLPXPZLFY-HNNXBMFYSA-N 1 0 264.417 2.961 10 30 CFEERO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000341447564 381017544 /nfs/dbraw/zinc/01/75/44/381017544.db2.gz AJXWHCCZGLJZOC-ZSBIGDGJSA-N 1 0 264.394 2.913 10 30 CFEERO C#C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368593331 381077090 /nfs/dbraw/zinc/07/70/90/381077090.db2.gz ONQZSWULVIGUDB-CCNLRDMRSA-N 1 0 268.404 2.793 10 30 CFEERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N ZINC000389716761 382616191 /nfs/dbraw/zinc/61/61/91/382616191.db2.gz AIMFYGSYPILKOB-ZANVPECISA-N 1 0 283.297 2.987 10 30 CFEERO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398771643 382636116 /nfs/dbraw/zinc/63/61/16/382636116.db2.gz HGPFXCSXOSSCPI-SOUVJXGZSA-N 1 0 264.413 2.799 10 30 CFEERO Cc1ccc([C@H](C)NCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000193636921 382721907 /nfs/dbraw/zinc/72/19/07/382721907.db2.gz NRPIWVPIKMSISW-LBPRGKRZSA-N 1 0 283.331 2.749 10 30 CFEERO CC(C)[NH2+]CC#Cc1sccc1Br ZINC000575469455 382772579 /nfs/dbraw/zinc/77/25/79/382772579.db2.gz NAARTDXVVKNRRH-UHFFFAOYSA-N 1 0 258.184 2.860 10 30 CFEERO CC[C@@H](C)[N@H+](C)CCNc1cc(C)nc(C)c1C#N ZINC000227593503 382838024 /nfs/dbraw/zinc/83/80/24/382838024.db2.gz CQCVJEUBPIQBDZ-GFCCVEGCSA-N 1 0 260.385 2.712 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000245937822 383051426 /nfs/dbraw/zinc/05/14/26/383051426.db2.gz UHYSQVCILGTVDX-KKUMJFAQSA-N 1 0 279.428 2.609 10 30 CFEERO C=CCC(CC=C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000246106618 383062500 /nfs/dbraw/zinc/06/25/00/383062500.db2.gz OHZSUHJETAKOTO-CVEARBPZSA-N 1 0 276.424 2.840 10 30 CFEERO CN(CCC[NH2+][C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000249984663 383368091 /nfs/dbraw/zinc/36/80/91/383368091.db2.gz MGAAHXSJMPZEMH-HOCLYGCPSA-N 1 0 257.381 2.795 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccccc1C#N ZINC000252661881 383424103 /nfs/dbraw/zinc/42/41/03/383424103.db2.gz QQUQCMHZHCIEOK-PBHICJAKSA-N 1 0 269.392 2.617 10 30 CFEERO C[NH2+]CCC1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000261991567 383591248 /nfs/dbraw/zinc/59/12/48/383591248.db2.gz TVTIKMDTTPZKNG-UHFFFAOYSA-N 1 0 298.434 2.658 10 30 CFEERO CC(C)[NH2+][C@H]1CCOC[C@@H]1Cc1ccccc1C#N ZINC000095088458 184939033 /nfs/dbraw/zinc/93/90/33/184939033.db2.gz SEAWNCROEKBEMK-HOTGVXAUSA-N 1 0 258.365 2.504 10 30 CFEERO C(#Cc1ccccc1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000192007684 130348804 /nfs/dbraw/zinc/34/88/04/130348804.db2.gz LQZNFQXYIPPVLE-UHFFFAOYSA-N 1 0 279.387 2.647 10 30 CFEERO C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251524620 393932422 /nfs/dbraw/zinc/93/24/22/393932422.db2.gz ABXFKFVSDVPLHY-TVQRCGJNSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@H](c1ccc(C#N)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177769319 394384999 /nfs/dbraw/zinc/38/49/99/394384999.db2.gz OKPGMVBJMANTSJ-RHSMWYFYSA-N 1 0 269.392 2.789 10 30 CFEERO C[C@@H]1CCCC[C@]12NCC[NH+]=C2NCc1cccc(F)c1 ZINC000046153240 397579625 /nfs/dbraw/zinc/57/96/25/397579625.db2.gz LPAKEXKWZXNPTJ-DYVFJYSZSA-N 1 0 289.398 2.866 10 30 CFEERO C[NH+](C)CCCN[C@H](C#N)c1c(F)cccc1Cl ZINC000020175261 171042021 /nfs/dbraw/zinc/04/20/21/171042021.db2.gz HBTWODFKADYVGA-GFCCVEGCSA-N 1 0 269.751 2.585 10 30 CFEERO C#CC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000037184915 173016428 /nfs/dbraw/zinc/01/64/28/173016428.db2.gz VTRAONLAXACHPV-GFCCVEGCSA-N 1 0 280.165 2.886 10 30 CFEERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037393478 173173983 /nfs/dbraw/zinc/17/39/83/173173983.db2.gz YICIAHNTPIZWQM-PRHODGIISA-N 1 0 265.744 2.524 10 30 CFEERO C#CCOc1c(Cl)cc(C[NH2+]C(C)C)cc1OC ZINC000037486596 173229891 /nfs/dbraw/zinc/22/98/91/173229891.db2.gz IKHUHDRULIUVQX-UHFFFAOYSA-N 1 0 267.756 2.859 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1OCc1ccccc1 ZINC000037548069 173264886 /nfs/dbraw/zinc/26/48/86/173264886.db2.gz YOHAYVQXKAPWOK-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO C#CCOc1c(Cl)cc(C[C@H]([NH3+])CC)cc1OC ZINC000037723079 173641492 /nfs/dbraw/zinc/64/14/92/173641492.db2.gz ZPEHBJUYEPIGDA-LLVKDONJSA-N 1 0 267.756 2.640 10 30 CFEERO C=CCSc1ccccc1NC(=O)CCC[NH2+]C ZINC000037764500 173690886 /nfs/dbraw/zinc/69/08/86/173690886.db2.gz WLPAXCXJJZPXFJ-UHFFFAOYSA-N 1 0 264.394 2.903 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000659331144 414500640 /nfs/dbraw/zinc/50/06/40/414500640.db2.gz DYATYIFFONNPPZ-QPSCCSFWSA-N 1 0 264.413 2.613 10 30 CFEERO C=CCOc1ccccc1C[NH2+][C@H]1CCCN(CC)C1 ZINC000040502763 174299092 /nfs/dbraw/zinc/29/90/92/174299092.db2.gz MDUXJCTUIHZXQM-INIZCTEOSA-N 1 0 274.408 2.825 10 30 CFEERO C[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc(C#CC[NH3+])c1 ZINC000042613250 174825894 /nfs/dbraw/zinc/82/58/94/174825894.db2.gz RAEXFCSMENZRAZ-WMLDXEAASA-N 1 0 284.403 2.648 10 30 CFEERO C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(CCC#N)C1CC1 ZINC000042972984 174936615 /nfs/dbraw/zinc/93/66/15/174936615.db2.gz SOONWDODVOWECE-ABAIWWIYSA-N 1 0 261.344 2.592 10 30 CFEERO C[C@H]([NH3+])[C@H](c1ccccc1F)N(CCC#N)C1CC1 ZINC000043045664 174957153 /nfs/dbraw/zinc/95/71/53/174957153.db2.gz GTCCYLCIUONBEE-XHDPSFHLSA-N 1 0 261.344 2.592 10 30 CFEERO N#Cc1cccc(O[C@H](C[NH3+])c2ccccc2F)c1 ZINC000043047790 174957334 /nfs/dbraw/zinc/95/73/34/174957334.db2.gz XPUMJZWHAJXSRM-OAHLLOKOSA-N 1 0 256.280 2.776 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)c1ccccn1 ZINC000043342983 175015804 /nfs/dbraw/zinc/01/58/04/175015804.db2.gz OHWMKWXKMHKYQL-GOEBONIOSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1C#N)c1ccncc1 ZINC000043355540 175023018 /nfs/dbraw/zinc/02/30/18/175023018.db2.gz HNIUSQZEEXQTAV-ZBFHGGJFSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)c1ccncc1 ZINC000043355757 175023719 /nfs/dbraw/zinc/02/37/19/175023719.db2.gz KPUAZOFMFVXXQC-HOTGVXAUSA-N 1 0 267.332 2.811 10 30 CFEERO COc1cc(C#N)ccc1O[C@@H](C[NH3+])c1ccc(C)o1 ZINC000043365721 175026985 /nfs/dbraw/zinc/02/69/85/175026985.db2.gz WUWWKGUNOQMDON-HNNXBMFYSA-N 1 0 272.304 2.547 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1ccc(C#N)cc1OC)C(F)(F)F ZINC000043383405 175031265 /nfs/dbraw/zinc/03/12/65/175031265.db2.gz KAYDNQNNYMGKIH-SKDRFNHKSA-N 1 0 288.269 2.614 10 30 CFEERO [NH3+]CC#Cc1ccc(OCc2cc(F)ccc2F)cc1 ZINC000043459909 175050291 /nfs/dbraw/zinc/05/02/91/175050291.db2.gz KBOUZIGALZQWNS-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO C[C@@H]([NH3+])Cc1ccc(OCCCC#N)c(Cl)c1 ZINC000043491823 175057672 /nfs/dbraw/zinc/05/76/72/175057672.db2.gz NFLZGGFSHFGISR-SNVBAGLBSA-N 1 0 252.745 2.912 10 30 CFEERO C[C@H]([NH3+])Cc1cccc(Br)c1O[C@@H](C)C#N ZINC000043518864 175062072 /nfs/dbraw/zinc/06/20/72/175062072.db2.gz OCZVVVSGBTUTJJ-IUCAKERBSA-N 1 0 283.169 2.630 10 30 CFEERO CC[C@H](C#N)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC1 ZINC000043538915 175064060 /nfs/dbraw/zinc/06/40/60/175064060.db2.gz KTURFQKTBKJELM-CYBMUJFWSA-N 1 0 275.308 2.528 10 30 CFEERO C[N@H+](Cc1sccc1C#CCO)C1CCCCC1 ZINC000043679136 175089725 /nfs/dbraw/zinc/08/97/25/175089725.db2.gz FVEIBWQNYSCEPA-UHFFFAOYSA-N 1 0 263.406 2.856 10 30 CFEERO C[C@@H]1CCCC[N@@H+]1Cc1sccc1C#CCCO ZINC000043678841 175090070 /nfs/dbraw/zinc/09/00/70/175090070.db2.gz JRHAIYYELNGPTH-CYBMUJFWSA-N 1 0 263.406 2.856 10 30 CFEERO COCC[N@@H+](Cc1sccc1C#CCCO)CC(C)C ZINC000043679788 175090629 /nfs/dbraw/zinc/09/06/29/175090629.db2.gz ITJKMCGNLRUOMF-UHFFFAOYSA-N 1 0 295.448 2.586 10 30 CFEERO CCC[N@H+](Cc1sccc1C#CCO)C(C)C ZINC000043679477 175090712 /nfs/dbraw/zinc/09/07/12/175090712.db2.gz AYKFOAAJMDQIGR-UHFFFAOYSA-N 1 0 251.395 2.712 10 30 CFEERO COc1cc(C#N)ccc1OCc1cc(C#CC[NH3+])cs1 ZINC000043689238 175096316 /nfs/dbraw/zinc/09/63/16/175096316.db2.gz UOKOVZJDTPSJIU-UHFFFAOYSA-N 1 0 298.367 2.518 10 30 CFEERO C[C@H]([N@H+](C)Cc1cc(C#CCO)cs1)C(C)(C)C ZINC000043698768 175096674 /nfs/dbraw/zinc/09/66/74/175096674.db2.gz MPTPKODRODXOOF-LBPRGKRZSA-N 1 0 265.422 2.958 10 30 CFEERO C[C@@H]([NH2+]C[C@@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000044561876 175205394 /nfs/dbraw/zinc/20/53/94/175205394.db2.gz FFQVUVQLCGKHMA-CJNGLKHVSA-N 1 0 257.381 2.693 10 30 CFEERO CC(C)[N@@H+]1CC[C@H](CNCc2cc(C#N)ccc2F)C1 ZINC000045135230 175312876 /nfs/dbraw/zinc/31/28/76/175312876.db2.gz QOWJVPCGTVTHRW-CQSZACIVSA-N 1 0 275.371 2.517 10 30 CFEERO C[C@H](Cc1cccs1)[NH2+]Cc1cccnc1C#N ZINC000071269990 176103561 /nfs/dbraw/zinc/10/35/61/176103561.db2.gz SRHFUZGDBLTEOT-LLVKDONJSA-N 1 0 257.362 2.736 10 30 CFEERO C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000188480278 262299869 /nfs/dbraw/zinc/29/98/69/262299869.db2.gz DKPMJTHYXMSMPP-DZGCQCFKSA-N 1 0 252.402 2.531 10 30 CFEERO COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000061892294 262406194 /nfs/dbraw/zinc/40/61/94/262406194.db2.gz LUSQMQDNJKFSIP-NWANDNLSSA-N 1 0 258.365 2.908 10 30 CFEERO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000126587748 264214825 /nfs/dbraw/zinc/21/48/25/264214825.db2.gz FAINCRIUJFUSNE-GFCCVEGCSA-N 1 0 294.345 2.816 10 30 CFEERO C[NH+](C)[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000105569321 273817438 /nfs/dbraw/zinc/81/74/38/273817438.db2.gz ONNZNKDSCUEIOQ-LBPRGKRZSA-N 1 0 283.297 2.717 10 30 CFEERO CC1(C)CN(c2nc(C(F)(F)F)ccc2C#N)CC[C@H]1[NH3+] ZINC000261746643 273585418 /nfs/dbraw/zinc/58/54/18/273585418.db2.gz SQGNVQSPVUFQFL-SNVBAGLBSA-N 1 0 298.312 2.536 10 30 CFEERO C[C@H]1CCN(c2cc(Cl)ccc2C#N)C[C@@H]1C[NH3+] ZINC000163988105 274562787 /nfs/dbraw/zinc/56/27/87/274562787.db2.gz QVSCSZWHZBIDKS-JQWIXIFHSA-N 1 0 263.772 2.633 10 30 CFEERO N#Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1C(F)(F)F ZINC000261610776 274920583 /nfs/dbraw/zinc/92/05/83/274920583.db2.gz DUYVGVWTLITSGT-IINYFYTJSA-N 1 0 295.308 2.765 10 30 CFEERO CN(C)c1ccc2c(c1)O[C@H]1CC(=[N+](C)C)CC[C@@H]1C2 ZINC000503940410 276804285 /nfs/dbraw/zinc/80/42/85/276804285.db2.gz VNWOEODVWFGGPQ-DYVFJYSZSA-N 1 0 273.400 2.569 10 30 CFEERO C[C@@H]([NH3+])C1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000110651542 278305135 /nfs/dbraw/zinc/30/51/35/278305135.db2.gz ASDISJCEQNNDQU-GFCCVEGCSA-N 1 0 280.375 2.670 10 30 CFEERO C[C@@H]([NH3+])C1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000110651404 278305275 /nfs/dbraw/zinc/30/52/75/278305275.db2.gz LYEZNYZUMRHNHD-SNVBAGLBSA-N 1 0 263.772 2.775 10 30 CFEERO C[C@@]1(C[NH3+])CCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000261639540 279158615 /nfs/dbraw/zinc/15/86/15/279158615.db2.gz CECDYXNWIYIRME-ZDUSSCGKSA-N 1 0 283.297 2.752 10 30 CFEERO C[C@H]1CCCN(c2cc(C#N)c3ccccc3n2)[C@H]1C[NH3+] ZINC000252111728 279672227 /nfs/dbraw/zinc/67/22/27/279672227.db2.gz HWFRVKGPAGSOOI-LRDDRELGSA-N 1 0 280.375 2.670 10 30 CFEERO C[C@]1(C[NH3+])CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000261703525 280154418 /nfs/dbraw/zinc/15/44/18/280154418.db2.gz IVFIOZVKHOYPIN-CYBMUJFWSA-N 1 0 283.297 2.752 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1cccc(F)c1C#N ZINC000083704238 300309422 /nfs/dbraw/zinc/30/94/22/300309422.db2.gz NSDRMWMFZZRLPX-QWHCGFSZSA-N 1 0 273.355 2.760 10 30 CFEERO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(-n2ccnc2)c1 ZINC000189893587 327868784 /nfs/dbraw/zinc/86/87/84/327868784.db2.gz DDETZEUOSBLQLS-GJZGRUSLSA-N 1 0 293.374 2.966 10 30 CFEERO CCCN(Cc1nnc(C)n1CC)Cc1ccc(C#N)cc1 ZINC000195080612 324101620 /nfs/dbraw/zinc/10/16/20/324101620.db2.gz JYSHRPGGCAFOBH-UHFFFAOYSA-N 1 0 297.406 2.890 10 30 CFEERO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186009969 329335787 /nfs/dbraw/zinc/33/57/87/329335787.db2.gz KMBFGSCROCBNOV-MJBXVCDLSA-N 1 0 280.412 2.798 10 30 CFEERO C=CCC1(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CCC1 ZINC000190415624 329396411 /nfs/dbraw/zinc/39/64/11/329396411.db2.gz WXGLXMLUJVNTFR-CQSZACIVSA-N 1 0 266.429 2.825 10 30 CFEERO C[C@H]1C[C@H]1NC(=[NH2+])Nc1cccc(OC(F)(F)F)c1 ZINC000262231531 330002064 /nfs/dbraw/zinc/00/20/64/330002064.db2.gz ABRHXEJDOIGWGO-OIBJUYFYSA-N 1 0 273.258 2.720 10 30 CFEERO C[NH+]=C(NC1CC1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262398079 330012688 /nfs/dbraw/zinc/01/26/88/330012688.db2.gz UCVZZSJNEHQWOM-JOYOIKCWSA-N 1 0 281.762 2.662 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H](c2ccccc2C)C1 ZINC000262465881 330015150 /nfs/dbraw/zinc/01/51/50/330015150.db2.gz NPBFONNOOAVOFC-SQWLQELKSA-N 1 0 271.408 2.768 10 30 CFEERO Cc1sc(CNC(=[NH2+])NC(C)(C)C)nc1C(C)C ZINC000262510004 330018731 /nfs/dbraw/zinc/01/87/31/330018731.db2.gz CUKIXSBDHMGZFS-UHFFFAOYSA-N 1 0 268.430 2.778 10 30 CFEERO CC(C)NC(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262542880 330020440 /nfs/dbraw/zinc/02/04/40/330020440.db2.gz SYBCVZNQUQQGPW-KWQFWETISA-N 1 0 269.751 2.648 10 30 CFEERO C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N[C@@H]1C[C@@H]1C ZINC000262624721 330023201 /nfs/dbraw/zinc/02/32/01/330023201.db2.gz DFDFSHPNYHGZTA-TVQRCGJNSA-N 1 0 289.354 2.954 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262669684 330025671 /nfs/dbraw/zinc/02/56/71/330025671.db2.gz OWEPOGOCKIRWKB-HIAZDOBYSA-N 1 0 295.789 2.908 10 30 CFEERO [NH2+]=C(NC[C@H]1CC12CCOCC2)Nc1ccc2c(c1)CCC2 ZINC000262767688 330030099 /nfs/dbraw/zinc/03/00/99/330030099.db2.gz GTIBVQYQRHPQMH-OAHLLOKOSA-N 1 0 299.418 2.719 10 30 CFEERO [NH2+]=C(NC1CCC1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000263113472 330044338 /nfs/dbraw/zinc/04/43/38/330044338.db2.gz LGRREUSZVMFSTQ-YPFXGUDJSA-N 1 0 279.334 2.668 10 30 CFEERO Cc1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2C(F)F)cc1C ZINC000263132337 330044955 /nfs/dbraw/zinc/04/49/55/330044955.db2.gz HEGRRRLLHDPXSQ-QWRGUYRKSA-N 1 0 253.296 2.684 10 30 CFEERO CN1CC[NH+]=C1NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000263181486 330047921 /nfs/dbraw/zinc/04/79/21/330047921.db2.gz UHTQJRMABDDLRE-JOYOIKCWSA-N 1 0 298.217 2.988 10 30 CFEERO [NH2+]=C(NCCc1cccs1)N[C@H]1CCC12CCCC2 ZINC000263285187 330051589 /nfs/dbraw/zinc/05/15/89/330051589.db2.gz UHLWEGXFMWBEBJ-ZDUSSCGKSA-N 1 0 277.437 2.918 10 30 CFEERO C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)s1 ZINC000424099941 330232970 /nfs/dbraw/zinc/23/29/70/330232970.db2.gz NFVVMMQFFHWGNJ-DTWKUNHWSA-N 1 0 285.800 2.600 10 30 CFEERO C#CC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000045945274 330350080 /nfs/dbraw/zinc/35/00/80/330350080.db2.gz NLAASFQUUMOEMP-UHFFFAOYSA-N 1 0 281.355 2.997 10 30 CFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000217456990 333121101 /nfs/dbraw/zinc/12/11/01/333121101.db2.gz LXRNXOKAPUWRQT-RCCFBDPRSA-N 1 0 283.419 2.933 10 30 CFEERO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)CC2 ZINC000252700681 334385784 /nfs/dbraw/zinc/38/57/84/334385784.db2.gz AWZAZZVSLJYBJP-LXZKKBNFSA-N 1 0 270.376 2.834 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(CC#N)cc1 ZINC000343607242 335211675 /nfs/dbraw/zinc/21/16/75/335211675.db2.gz KAYXIHYTYGGNDY-KRWDZBQOSA-N 1 0 271.408 2.669 10 30 CFEERO C#C[C@@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000382902884 336098483 /nfs/dbraw/zinc/09/84/83/336098483.db2.gz FUBTZJJVKIGIDC-KGLIPLIRSA-N 1 0 285.309 2.986 10 30 CFEERO CCC[N@H+](Cc1ccc(F)cc1C#CCO)C(C)C ZINC000049617661 521684797 /nfs/dbraw/zinc/68/47/97/521684797.db2.gz BJDRYCXLUZVEHR-UHFFFAOYSA-N 1 0 263.356 2.790 10 30 CFEERO CC[C@@H](C)C[N@H+](C)Cc1ccc(OC)c(C#CCO)c1 ZINC000049617899 521971377 /nfs/dbraw/zinc/97/13/77/521971377.db2.gz GRUVXUYFJYFNMQ-CQSZACIVSA-N 1 0 275.392 2.517 10 30 CFEERO C#CCOc1cccc(C[NH2+]CCCOCCCC)c1 ZINC000045945948 518330913 /nfs/dbraw/zinc/33/09/13/518330913.db2.gz NFVYLWQFWWVCAB-UHFFFAOYSA-N 1 0 275.392 2.995 10 30 CFEERO CC(C)[C@H]([NH3+])CCN(C)c1cc(C#N)c2ccccc2n1 ZINC000156802677 519817648 /nfs/dbraw/zinc/81/76/48/519817648.db2.gz IQNQGTCXCVVUJF-OAHLLOKOSA-N 1 0 282.391 2.916 10 30 CFEERO CC(C)[C@H]([NH3+])CNc1cccc(Br)c1C#N ZINC000165081198 519817822 /nfs/dbraw/zinc/81/78/22/519817822.db2.gz YMYNLNIXYDLCNK-LLVKDONJSA-N 1 0 282.185 2.716 10 30 CFEERO CC(C)c1nccn1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049610137 519880287 /nfs/dbraw/zinc/88/02/87/519880287.db2.gz WCDCLAAANQNQBP-UHFFFAOYSA-N 1 0 271.339 2.504 10 30 CFEERO CCCCCC(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586712 519935098 /nfs/dbraw/zinc/93/50/98/519935098.db2.gz DSXIXYXPOPZHIP-CQSZACIVSA-N 1 0 272.392 2.754 10 30 CFEERO CCCN[C@H](C#N)CC[NH+](CC(C)C)CC(C)C ZINC000062435669 520059965 /nfs/dbraw/zinc/05/99/65/520059965.db2.gz LOBRXBHASZOGHI-HNNXBMFYSA-N 1 0 253.434 2.882 10 30 CFEERO CCCC[N@H+](CC)Cc1cc(C#CCO)ccc1OC ZINC000049616441 520478921 /nfs/dbraw/zinc/47/89/21/520478921.db2.gz OYNLLXBIQHDERR-UHFFFAOYSA-N 1 0 275.392 2.661 10 30 CFEERO CC[NH+](CC)C[C@@H](C)N[C@@H]1CCCCC[C@@H]1C#N ZINC000054828642 520720156 /nfs/dbraw/zinc/72/01/56/520720156.db2.gz BTXUYGZUVDYDMG-RBSFLKMASA-N 1 0 251.418 2.779 10 30 CFEERO CC[NH+](CC)C[C@H](C)N[C@@H]1CCCCC[C@@H]1C#N ZINC000054828644 520735682 /nfs/dbraw/zinc/73/56/82/520735682.db2.gz BTXUYGZUVDYDMG-RRFJBIMHSA-N 1 0 251.418 2.779 10 30 CFEERO CCCCSCCOc1ccc(C#CC[NH3+])cc1 ZINC000049611521 520956701 /nfs/dbraw/zinc/95/67/01/520956701.db2.gz LZAFMXQMWVLRLB-UHFFFAOYSA-N 1 0 263.406 2.909 10 30 CFEERO CCC[C@H](C)C(=O)N[C@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587107 521004992 /nfs/dbraw/zinc/00/49/92/521004992.db2.gz TULQGULYFKPFAK-UONOGXRCSA-N 1 0 272.392 2.610 10 30 CFEERO CCCC[C@H](C[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000160670691 521193057 /nfs/dbraw/zinc/19/30/57/521193057.db2.gz CTVDAZCDUGYLRW-SNVBAGLBSA-N 1 0 286.301 2.901 10 30 CFEERO CC[N@H+](Cc1ccc(F)cc1C#CCO)C1CCCC1 ZINC000049618377 521314936 /nfs/dbraw/zinc/31/49/36/521314936.db2.gz VMWZHKYHWNDSBC-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO CC[N@H+](Cc1ccc(OC)c(C#CCO)c1)C1CCCC1 ZINC000049618371 521322052 /nfs/dbraw/zinc/32/20/52/521322052.db2.gz UJXXYELRFOEHTP-UHFFFAOYSA-N 1 0 287.403 2.804 10 30 CFEERO CCC(CC)C(=O)N[C@@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587226 521497374 /nfs/dbraw/zinc/49/73/74/521497374.db2.gz UQSRRCJQQZSQDF-ZDUSSCGKSA-N 1 0 272.392 2.610 10 30 CFEERO CCC[NH+](CCC)Cc1ccc(C#CCO)cc1F ZINC000049616302 521649330 /nfs/dbraw/zinc/64/93/30/521649330.db2.gz JQBYAOASNQCOBF-UHFFFAOYSA-N 1 0 263.356 2.792 10 30 CFEERO CCC[N@H+](Cc1ccc(C#CCCO)cc1F)C1CC1 ZINC000049617681 521682063 /nfs/dbraw/zinc/68/20/63/521682063.db2.gz DELLNQHRVDAZBC-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO CC[C@H](C)SCCOc1cccc(C#CC[NH3+])c1 ZINC000049611215 521783469 /nfs/dbraw/zinc/78/34/69/521783469.db2.gz YJJFWTCKLJLKSZ-ZDUSSCGKSA-N 1 0 263.406 2.907 10 30 CFEERO C[NH2+]CC[C@H]1CCCCN1Cc1cc(F)ccc1C#N ZINC000069402202 522019093 /nfs/dbraw/zinc/01/90/93/522019093.db2.gz GZAPZGREXHQVCW-MRXNPFEDSA-N 1 0 275.371 2.661 10 30 CFEERO C[NH2+]C[C@@H]1CCCN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000156666904 522053818 /nfs/dbraw/zinc/05/38/18/522053818.db2.gz ICPBCQFANWTTIM-LBPRGKRZSA-N 1 0 283.297 2.765 10 30 CFEERO CC[C@H](C/C(N)=N/O)[NH+]1CCC2(CCCC2)CC1 ZINC000062954257 522086331 /nfs/dbraw/zinc/08/63/31/522086331.db2.gz SMWYJRLAMXXSNS-GFCCVEGCSA-N 1 0 253.390 2.558 10 30 CFEERO CCc1nc(NC(=O)c2ccc(C#CC[NH3+])cc2)sc1C ZINC000049189198 522403200 /nfs/dbraw/zinc/40/32/00/522403200.db2.gz IOFYYNSKDPFGHM-UHFFFAOYSA-N 1 0 299.399 2.576 10 30 CFEERO CC[C@H]1CCC[N@@H+]1Cc1ccc(C#CCCO)cc1 ZINC000049615113 523110058 /nfs/dbraw/zinc/11/00/58/523110058.db2.gz DWLZHPUCXWRDCK-KRWDZBQOSA-N 1 0 257.377 2.795 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1C#N ZINC000159002980 523315628 /nfs/dbraw/zinc/31/56/28/523315628.db2.gz ZYJQVURVEURINP-DLBZAZTESA-N 1 0 287.382 2.756 10 30 CFEERO C[N@H+](Cc1ccco1)Cc1ccc(C#CCCO)cc1 ZINC000049618192 523435899 /nfs/dbraw/zinc/43/58/99/523435899.db2.gz RMYSDHYUFUUPHG-UHFFFAOYSA-N 1 0 269.344 2.646 10 30 CFEERO COc1ccc(C#CCCO)cc1C[N@H+](C)C1CCCC1 ZINC000049617529 523510317 /nfs/dbraw/zinc/51/03/17/523510317.db2.gz DMHSMENXUCYITA-UHFFFAOYSA-N 1 0 287.403 2.804 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1COc1cccc(C)c1 ZINC000049610496 523516159 /nfs/dbraw/zinc/51/61/59/523516159.db2.gz BSVIDHCRHNXTOZ-UHFFFAOYSA-N 1 0 281.355 2.893 10 30 CFEERO CCn1cnnc1C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000171644510 523583930 /nfs/dbraw/zinc/58/39/30/523583930.db2.gz CSQWQERHPWYEEI-UHFFFAOYSA-N 1 0 295.390 2.549 10 30 CFEERO C[C@H]1CCC[N@H+](Cc2cccc(C#CCCO)c2)C1 ZINC000049616093 524095158 /nfs/dbraw/zinc/09/51/58/524095158.db2.gz YFUZOCOBXOJQJI-HNNXBMFYSA-N 1 0 257.377 2.652 10 30 CFEERO COc1ccc(CSc2ccccn2)cc1C#CC[NH3+] ZINC000049611381 524126963 /nfs/dbraw/zinc/12/69/63/524126963.db2.gz JFGTWVUJBJOKBR-UHFFFAOYSA-N 1 0 284.384 2.693 10 30 CFEERO C[C@H](CCCC[NH3+])Nc1c(F)cc(C#N)cc1F ZINC000336787818 524137461 /nfs/dbraw/zinc/13/74/61/524137461.db2.gz FVCCHOUDYHJDJP-SECBINFHSA-N 1 0 253.296 2.766 10 30 CFEERO C[C@@H]1CCC[N@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000049616004 524232048 /nfs/dbraw/zinc/23/20/48/524232048.db2.gz JTRMQJMFHLCXFN-OAHLLOKOSA-N 1 0 257.377 2.652 10 30 CFEERO C[C@@H]1CCC[C@H](C)[N@H+]1CCOc1ccc(C#CCO)cc1 ZINC000049616884 524364414 /nfs/dbraw/zinc/36/44/14/524364414.db2.gz XSTJCWIGHWAKRH-IYBDPMFKSA-N 1 0 287.403 2.672 10 30 CFEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000162922327 525085283 /nfs/dbraw/zinc/08/52/83/525085283.db2.gz DIJABWJQZCJTFB-IUODEOHRSA-N 1 0 289.810 2.880 10 30 CFEERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000261619161 525664222 /nfs/dbraw/zinc/66/42/22/525664222.db2.gz ULNJLIOVRKVSPG-PELKAZGASA-N 1 0 269.270 2.503 10 30 CFEERO CSC[C@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC000069447429 525681622 /nfs/dbraw/zinc/68/16/22/525681622.db2.gz NCVHSECUGJOZNL-SNVBAGLBSA-N 1 0 252.358 2.786 10 30 CFEERO C[C@H]1CCCC[N@@H+]1Cc1ccccc1C#CCCO ZINC000049615697 526252099 /nfs/dbraw/zinc/25/20/99/526252099.db2.gz JCWYNNRBISAZJU-HNNXBMFYSA-N 1 0 257.377 2.795 10 30 CFEERO C[C@H]1CCCC[C@H]1OCCOc1ccc(C#CC[NH3+])cc1 ZINC000049610673 526263097 /nfs/dbraw/zinc/26/30/97/526263097.db2.gz GXFSSWNBYCIKBH-MAUKXSAKSA-N 1 0 287.403 2.971 10 30 CFEERO N#Cc1cc(NC[C@@H]2CCC[NH2+]C2)ccc1C(F)(F)F ZINC000164071464 526571076 /nfs/dbraw/zinc/57/10/76/526571076.db2.gz NWEFBGNCFGTILR-SNVBAGLBSA-N 1 0 283.297 2.989 10 30 CFEERO N#Cc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000061815474 526574520 /nfs/dbraw/zinc/57/45/20/526574520.db2.gz WARZXPJUUNFUCQ-QGZVFWFLSA-N 1 0 279.343 2.607 10 30 CFEERO N#Cc1ccc(F)cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000069402009 526640907 /nfs/dbraw/zinc/64/09/07/526640907.db2.gz KORHWFAGGMTOGO-YOEHRIQHSA-N 1 0 287.382 2.661 10 30 CFEERO N#Cc1ccc(N[C@H]2CC[C@@H](C[NH3+])C2)c(Br)c1 ZINC000335576291 526668143 /nfs/dbraw/zinc/66/81/43/526668143.db2.gz ASAFRVCSOFFIMG-KOLCDFICSA-N 1 0 294.196 2.860 10 30 CFEERO N#Cc1ccccc1NCc1ccc(CC[NH3+])cc1 ZINC000052899307 526744311 /nfs/dbraw/zinc/74/43/11/526744311.db2.gz QNLBRYYRYCPRKL-UHFFFAOYSA-N 1 0 251.333 2.672 10 30 CFEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)c2ccsc2)c1 ZINC000061692004 527149608 /nfs/dbraw/zinc/14/96/08/527149608.db2.gz ADXSJCBNVARTLA-UHFFFAOYSA-N 1 0 290.775 2.964 10 30 CFEERO [NH3+]CC#Cc1ccc(CSc2nccs2)cc1 ZINC000049612859 527149665 /nfs/dbraw/zinc/14/96/65/527149665.db2.gz HFDYXSHPPSOBIZ-UHFFFAOYSA-N 1 0 260.387 2.746 10 30 CFEERO [NH3+]CC#Cc1cccc(CNC(=O)c2ccc(Cl)cc2)c1 ZINC000049586506 527151273 /nfs/dbraw/zinc/15/12/73/527151273.db2.gz SYVGZRXKFPQVNE-UHFFFAOYSA-N 1 0 298.773 2.580 10 30 CFEERO [NH3+]CC#Cc1ccccc1COc1ccc(F)cc1 ZINC000049610514 527154279 /nfs/dbraw/zinc/15/42/79/527154279.db2.gz GFEGIVBWZXWSRU-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO OCCC#Cc1cc(C[NH+]2CCCCC2)ccc1F ZINC000049616761 527529522 /nfs/dbraw/zinc/52/95/22/527529522.db2.gz NAJHCDUFMRVBOF-UHFFFAOYSA-N 1 0 261.340 2.546 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1nc(Cl)c(C#N)s1 ZINC000312083888 618875174 /nfs/dbraw/zinc/87/51/74/618875174.db2.gz VJPBJLNIZBOGQS-UWVGGRQHSA-N 1 0 296.827 2.731 10 30 CFEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cc1cccc(F)c1 ZINC000178458364 619038568 /nfs/dbraw/zinc/03/85/68/619038568.db2.gz ZLISKSOYNHYPRC-CQSZACIVSA-N 1 0 291.366 2.645 10 30 CFEERO CCCCCCCCCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232932166 619180136 /nfs/dbraw/zinc/18/01/36/619180136.db2.gz UDPYHJFSPRCYSW-KBPBESRZSA-N 1 0 254.418 2.933 10 30 CFEERO CC[NH2+]CCCNc1nc2ccccc2cc1C#N ZINC000071386024 625510747 /nfs/dbraw/zinc/51/07/47/625510747.db2.gz OHESTXWAWCJKKW-UHFFFAOYSA-N 1 0 254.337 2.518 10 30 CFEERO C[C@H]([NH3+])[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000070174827 625278834 /nfs/dbraw/zinc/27/88/34/625278834.db2.gz MMPJAORDQBOFSQ-JQWIXIFHSA-N 1 0 263.772 2.775 10 30 CFEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000070174826 625279506 /nfs/dbraw/zinc/27/95/06/625279506.db2.gz MMPJAORDQBOFSQ-ZYHUDNBSSA-N 1 0 263.772 2.775 10 30 CFEERO CC[C@H]1CN(c2nc3ccccc3cc2C#N)CC[C@@H]1[NH3+] ZINC000123017409 639561382 /nfs/dbraw/zinc/56/13/82/639561382.db2.gz JIHXXRPHCXTISK-WFASDCNBSA-N 1 0 280.375 2.670 10 30 CFEERO CC[C@@H]1CN(c2nc3ccccc3cc2C#N)CC[C@@H]1[NH3+] ZINC000123017219 639561541 /nfs/dbraw/zinc/56/15/41/639561541.db2.gz JIHXXRPHCXTISK-DOMZBBRYSA-N 1 0 280.375 2.670 10 30 CFEERO C#CCOc1ccccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000093585787 650943983 /nfs/dbraw/zinc/94/39/83/650943983.db2.gz BBOIJXHRNXEYQL-MJGOQNOKSA-N 1 0 299.414 2.826 10 30 CFEERO N#Cc1ccncc1NCC[NH2+]C1CCCCCC1 ZINC000130131826 645457295 /nfs/dbraw/zinc/45/72/95/645457295.db2.gz JDVMODDWUDXNGJ-UHFFFAOYSA-N 1 0 258.369 2.678 10 30 CFEERO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC)C2)cc1 ZINC000133018565 646006755 /nfs/dbraw/zinc/00/67/55/646006755.db2.gz XHPKQSFEMJAVPA-DOTOQJQBSA-N 1 0 286.419 2.834 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1NC[C@H]1CC[NH2+]C1 ZINC000133783706 646227339 /nfs/dbraw/zinc/22/73/39/646227339.db2.gz ULZORBXZGGALEA-VIFPVBQESA-N 1 0 269.270 2.598 10 30 CFEERO N#Cc1ccc(OCCC[N@@H+]2C[C@H]3CCC[C@H]32)cc1 ZINC000117690381 651287389 /nfs/dbraw/zinc/28/73/89/651287389.db2.gz BLVRCJXNOCVKLA-GDBMZVCRSA-N 1 0 256.349 2.811 10 30 CFEERO CN(CC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1C#N ZINC000594693629 349474775 /nfs/dbraw/zinc/47/47/75/349474775.db2.gz QRJIZKJNULGWOE-UHFFFAOYSA-N 1 0 271.286 2.751 10 30 CFEERO C[C@H](CC#N)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000095831161 185029908 /nfs/dbraw/zinc/02/99/08/185029908.db2.gz AWNJMYCXMWXDEV-GFCCVEGCSA-N 1 0 263.410 2.604 10 30 CFEERO COc1cccc(OCC[NH2+][C@@H]2CCCC[C@H]2C#N)c1 ZINC000595694718 349705907 /nfs/dbraw/zinc/70/59/07/349705907.db2.gz PBMBLTMVQAFXMZ-XJKSGUPXSA-N 1 0 274.364 2.746 10 30 CFEERO C[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000126912707 187269796 /nfs/dbraw/zinc/26/97/96/187269796.db2.gz FWFPCTLYHUPNCG-HZMBPMFUSA-N 1 0 297.324 2.963 10 30 CFEERO C#CC[N@@H+](CCC)[C@H]1CCc2cc(OC)ccc2C1 ZINC000038814941 346340040 /nfs/dbraw/zinc/34/00/40/346340040.db2.gz GTAQIKLSIRXVGG-INIZCTEOSA-N 1 0 257.377 2.898 10 30 CFEERO CC(C)CNC(=[NH2+])c1ccc(Br)cc1 ZINC000059925847 346658634 /nfs/dbraw/zinc/65/86/34/346658634.db2.gz SXXFLYHHTYNAHO-UHFFFAOYSA-N 1 0 255.159 2.810 10 30 CFEERO N#Cc1cc(NCC2CC[NH2+]CC2)ccc1C(F)(F)F ZINC000164071707 348035848 /nfs/dbraw/zinc/03/58/48/348035848.db2.gz RPYRNFAQACYONU-UHFFFAOYSA-N 1 0 283.297 2.989 10 30 CFEERO N#Cc1c(Br)cccc1NC[C@H]1CCCC[NH2+]1 ZINC000169057932 348049916 /nfs/dbraw/zinc/04/99/16/348049916.db2.gz VTRUTPHFAGSKLL-SNVBAGLBSA-N 1 0 294.196 2.875 10 30 CFEERO N#Cc1cnc2ccc(N)cc2c1Nc1cc[nH+]cc1 ZINC000226168012 348181212 /nfs/dbraw/zinc/18/12/12/348181212.db2.gz LMISXOJRCUDSEZ-UHFFFAOYSA-N 1 0 261.288 2.827 10 30 CFEERO [NH3+]CC#Cc1ccc(Br)c(Cl)c1F ZINC000236196292 348232075 /nfs/dbraw/zinc/23/20/75/348232075.db2.gz SPDVSILCAMQGPU-UHFFFAOYSA-N 1 0 262.509 2.552 10 30 CFEERO CN(CC[NH2+][C@H]1CCCC[C@H]1C#N)Cc1ccccc1 ZINC000386725816 348536112 /nfs/dbraw/zinc/53/61/12/348536112.db2.gz TZVFFASMWNGNKY-IRXDYDNUSA-N 1 0 271.408 2.790 10 30 CFEERO CCCNC1=CC(=[NH+]CCC)c2ccccc2C1=O ZINC000584613516 348690030 /nfs/dbraw/zinc/69/00/30/348690030.db2.gz OGIWDGSYNKBPRW-SAPNQHFASA-N 1 0 256.349 2.966 10 30 CFEERO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1C#N ZINC000599295511 350408430 /nfs/dbraw/zinc/40/84/30/350408430.db2.gz NYTGMEQDHMZUOL-YOEHRIQHSA-N 1 0 269.392 2.535 10 30 CFEERO CCC([NH3+])(CC)CNc1nc2c(cc1C#N)CCCC2 ZINC000133500750 187689447 /nfs/dbraw/zinc/68/94/47/187689447.db2.gz TVRPQHCWFZCFJL-UHFFFAOYSA-N 1 0 272.396 2.761 10 30 CFEERO C=CCOc1ccccc1CNC(=O)[C@H](CCC)[NH+](C)C ZINC000155017721 188176006 /nfs/dbraw/zinc/17/60/06/188176006.db2.gz KJPBKMAVOWJKNR-HNNXBMFYSA-N 1 0 290.407 2.598 10 30 CFEERO CC#CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000155868464 188233117 /nfs/dbraw/zinc/23/31/17/188233117.db2.gz ASYBRKVGKQNXPP-IRXDYDNUSA-N 1 0 257.377 2.988 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C#N)cc1 ZINC000173334033 188850442 /nfs/dbraw/zinc/85/04/42/188850442.db2.gz PLEPYWCEYZCNMU-HZPDHXFCSA-N 1 0 298.390 2.649 10 30 CFEERO N#Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1C(F)(F)F ZINC000261760387 283106479 /nfs/dbraw/zinc/10/64/79/283106479.db2.gz UWWBZLABNAGJNI-ZYHUDNBSSA-N 1 0 295.308 2.623 10 30 CFEERO N#Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1C(F)(F)F ZINC000261610778 283107573 /nfs/dbraw/zinc/10/75/73/283107573.db2.gz DUYVGVWTLITSGT-QMTHXVAHSA-N 1 0 295.308 2.765 10 30 CFEERO N#Cc1ccc(C(F)(F)F)c(N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000249288549 283135430 /nfs/dbraw/zinc/13/54/30/283135430.db2.gz JPICKCWBWQVLDU-LBPRGKRZSA-N 1 0 295.308 2.861 10 30 CFEERO Cn1cc([C@H]2CCC[N@@H+]2CCCC(C)(C)C#N)cn1 ZINC000174845992 261199266 /nfs/dbraw/zinc/19/92/66/261199266.db2.gz QODFNAYZGBGBRO-CQSZACIVSA-N 1 0 260.385 2.887 10 30 CFEERO C#CCOc1ccc(C[NH2+]C(C)(C)C)cc1OCC ZINC000045944707 373039475 /nfs/dbraw/zinc/03/94/75/373039475.db2.gz DRGHNGVHKCMSRU-UHFFFAOYSA-N 1 0 261.365 2.985 10 30 CFEERO C#CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000045945287 373038872 /nfs/dbraw/zinc/03/88/72/373038872.db2.gz BTAMJYDYUBWKGM-UHFFFAOYSA-N 1 0 251.329 2.988 10 30 CFEERO C#CCOc1ccc(C[NH2+]CCCC)cc1OCC ZINC000045945598 373039022 /nfs/dbraw/zinc/03/90/22/373039022.db2.gz LZNJFPVWCRNTGO-UHFFFAOYSA-N 1 0 261.365 2.987 10 30 CFEERO C#CCOc1ccc(C[NH2+]C(C)(C)CC)cc1OC ZINC000045946010 373039116 /nfs/dbraw/zinc/03/91/16/373039116.db2.gz QWLPMQVERYQBDZ-UHFFFAOYSA-N 1 0 261.365 2.985 10 30 CFEERO C#CC[NH2+]Cc1ccc(OC(C)C)c(Br)c1 ZINC000045945396 373039347 /nfs/dbraw/zinc/03/93/47/373039347.db2.gz NOMODKULVXODMU-UHFFFAOYSA-N 1 0 282.181 2.959 10 30 CFEERO C[NH+](C)C[C@@H](NC(=O)c1sccc1C#N)c1ccccc1 ZINC000052029280 373430237 /nfs/dbraw/zinc/43/02/37/373430237.db2.gz FNRYAPQZXWRPEW-CQSZACIVSA-N 1 0 299.399 2.652 10 30 CFEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000061892252 373738784 /nfs/dbraw/zinc/73/87/84/373738784.db2.gz AGHDRKWYESYZEP-GOEBONIOSA-N 1 0 266.348 2.654 10 30 CFEERO C[C@@H]([NH3+])[C@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000070174832 374141145 /nfs/dbraw/zinc/14/11/45/374141145.db2.gz XCBFEBPZHMHTBY-PWSUYJOCSA-N 1 0 263.772 2.775 10 30 CFEERO CC(C)[C@@H]([NH3+])CNc1cc(C#N)c2ccccc2n1 ZINC000070447925 374178219 /nfs/dbraw/zinc/17/82/19/374178219.db2.gz ZKFBEELFDAVLIQ-ZDUSSCGKSA-N 1 0 254.337 2.502 10 30 CFEERO CN(CC(C)(C)C[NH3+])c1ccc(C#N)c(C(F)(F)F)c1 ZINC000093874762 375327841 /nfs/dbraw/zinc/32/78/41/375327841.db2.gz GQRMUGGFFCATSO-UHFFFAOYSA-N 1 0 285.313 2.998 10 30 CFEERO C=CCNC(=O)CN1CCCC[C@H]1c1ccc(CC)o1 ZINC000124857527 377096212 /nfs/dbraw/zinc/09/62/12/377096212.db2.gz MWOUSRIGUKBCNA-AWEZNQCLSA-N 1 0 276.380 2.671 10 30 CFEERO CCOc1ccc(O)c(/C=N/[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000129363678 377418196 /nfs/dbraw/zinc/41/81/96/377418196.db2.gz FAMUEMOTFAHHOQ-HNVSBGEVSA-N 1 0 290.407 2.939 10 30 CFEERO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000131919105 377778375 /nfs/dbraw/zinc/77/83/75/377778375.db2.gz RENKMWRLZZMSRQ-QGZVFWFLSA-N 1 0 295.386 2.769 10 30 CFEERO CCCC[C@H](C[NH3+])Nc1c(F)cc(C#N)cc1F ZINC000133711472 377950926 /nfs/dbraw/zinc/95/09/26/377950926.db2.gz ZCCDNYPINOGOEB-SNVBAGLBSA-N 1 0 253.296 2.766 10 30 CFEERO C=CCC(CC=C)C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000151396885 378322627 /nfs/dbraw/zinc/32/26/27/378322627.db2.gz ZPCIYNOAFZTKRQ-MRXNPFEDSA-N 1 0 287.407 2.951 10 30 CFEERO C[C@@H](CCC[NH3+])Nc1cccc(Br)c1C#N ZINC000336645397 380582185 /nfs/dbraw/zinc/58/21/85/380582185.db2.gz CZWAQCDNOVDSEI-VIFPVBQESA-N 1 0 282.185 2.860 10 30 CFEERO C[C@@H]1C[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181688626 380864268 /nfs/dbraw/zinc/86/42/68/380864268.db2.gz RONMNWSUGRRQHU-DYVFJYSZSA-N 1 0 269.392 2.521 10 30 CFEERO C[C@@H]1C[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181688668 380865998 /nfs/dbraw/zinc/86/59/98/380865998.db2.gz RONMNWSUGRRQHU-CXAGYDPISA-N 1 0 269.392 2.521 10 30 CFEERO Cc1cc(N2CC[NH+](CCC(C)C)CC2)c(C#N)c(C)n1 ZINC000301758670 382190769 /nfs/dbraw/zinc/19/07/69/382190769.db2.gz FHNHRAVKASDIST-UHFFFAOYSA-N 1 0 286.423 2.738 10 30 CFEERO N#Cc1cccc(C[N@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)c1 ZINC000188142977 382355253 /nfs/dbraw/zinc/35/52/53/382355253.db2.gz KDHNOJRDOAWOSY-SJORKVTESA-N 1 0 298.411 2.828 10 30 CFEERO C=CCCC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188162765 382359516 /nfs/dbraw/zinc/35/95/16/382359516.db2.gz TZPDBVOWJYKVJI-KBPBESRZSA-N 1 0 251.395 2.722 10 30 CFEERO CC[C@](C)([NH3+])C#Cc1cscc1Br ZINC000306947711 382462196 /nfs/dbraw/zinc/46/21/96/382462196.db2.gz QPNCLHRTNAXKEN-JTQLQIEISA-N 1 0 258.184 2.990 10 30 CFEERO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189914656 382645156 /nfs/dbraw/zinc/64/51/56/382645156.db2.gz VVDWXBRXRKDZFX-WMLDXEAASA-N 1 0 285.391 2.850 10 30 CFEERO C=CCC[N@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190511655 382671548 /nfs/dbraw/zinc/67/15/48/382671548.db2.gz JKZYHHDNKQBXGN-OAHLLOKOSA-N 1 0 296.455 2.691 10 30 CFEERO C(#Cc1ccccc1)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000192078644 382704686 /nfs/dbraw/zinc/70/46/86/382704686.db2.gz NFXJTTJOTQDGDU-SFHVURJKSA-N 1 0 278.355 2.586 10 30 CFEERO C=CCCCCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000193349232 382718868 /nfs/dbraw/zinc/71/88/68/382718868.db2.gz DXLLPPXWOYRLBC-HNNXBMFYSA-N 1 0 262.401 2.737 10 30 CFEERO C[C@@H](CCCC[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000336833846 382727417 /nfs/dbraw/zinc/72/74/17/382727417.db2.gz PHUHVLAUHCWSSD-VIFPVBQESA-N 1 0 286.301 2.901 10 30 CFEERO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H]1N(C)C ZINC000235362083 382879687 /nfs/dbraw/zinc/87/96/87/382879687.db2.gz GIQZUEMRMJINNN-KGLIPLIRSA-N 1 0 251.418 2.588 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1C#N ZINC000246735249 383097924 /nfs/dbraw/zinc/09/79/24/383097924.db2.gz ZYJQVURVEURINP-IRXDYDNUSA-N 1 0 287.382 2.756 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1C#N ZINC000246735267 383097982 /nfs/dbraw/zinc/09/79/82/383097982.db2.gz ZYJQVURVEURINP-SJORKVTESA-N 1 0 287.382 2.756 10 30 CFEERO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000248623664 383273667 /nfs/dbraw/zinc/27/36/67/383273667.db2.gz MXCJOGOLYRIUPQ-HZPDHXFCSA-N 1 0 296.455 2.548 10 30 CFEERO C=CCC1(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CCC1 ZINC000249713149 383357616 /nfs/dbraw/zinc/35/76/16/383357616.db2.gz ZIOFHNZLPWPPRL-ZIAGYGMSSA-N 1 0 264.413 2.578 10 30 CFEERO C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H]1[NH+](C)C ZINC000252924836 383440177 /nfs/dbraw/zinc/44/01/77/383440177.db2.gz LTVNMFXZRARIHQ-XHDPSFHLSA-N 1 0 277.799 2.594 10 30 CFEERO Cc1nc(NCCC[NH2+]C(C)C)c(Cl)cc1C#N ZINC000573430632 383927850 /nfs/dbraw/zinc/92/78/50/383927850.db2.gz NRUMVESQCAHIDF-UHFFFAOYSA-N 1 0 266.776 2.715 10 30 CFEERO Cc1cc(C#N)nc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000286508209 385637026 /nfs/dbraw/zinc/63/70/26/385637026.db2.gz NJSGHLRDDZINSW-AWEZNQCLSA-N 1 0 295.390 2.589 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H](CC[NH3+])C1 ZINC000094337487 184783104 /nfs/dbraw/zinc/78/31/04/184783104.db2.gz GMGJSKJKGDJGLN-SNVBAGLBSA-N 1 0 298.312 2.537 10 30 CFEERO C=CCC[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000236654905 130964866 /nfs/dbraw/zinc/96/48/66/130964866.db2.gz MDFVGOISUFQIPG-MRXNPFEDSA-N 1 0 272.392 2.810 10 30 CFEERO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000183137708 393517741 /nfs/dbraw/zinc/51/77/41/393517741.db2.gz CPXWOSSPJYXRMV-DOMZBBRYSA-N 1 0 263.768 2.849 10 30 CFEERO N#Cc1ccc(CN2CCO[C@@H]3CCCC[C@H]32)s1 ZINC000245513130 393812079 /nfs/dbraw/zinc/81/20/79/393812079.db2.gz BWVSACQWEQGTQK-ZIAGYGMSSA-N 1 0 262.378 2.763 10 30 CFEERO N#CCCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121450390 393955879 /nfs/dbraw/zinc/95/58/79/393955879.db2.gz IWWFENUMBPIZSD-IUODEOHRSA-N 1 0 280.318 2.766 10 30 CFEERO CC#CCC[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000155752074 394322232 /nfs/dbraw/zinc/32/22/32/394322232.db2.gz MVMGHRYDNHDVAC-HNNXBMFYSA-N 1 0 257.381 2.537 10 30 CFEERO CC(C)c1nc2c(n1C)CC[N@H+](CCCSCC#N)C2 ZINC000173889378 394376910 /nfs/dbraw/zinc/37/69/10/394376910.db2.gz JYMZESPGDOZNLT-UHFFFAOYSA-N 1 0 292.452 2.548 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1snc(Cl)c1C#N ZINC000271323570 287231881 /nfs/dbraw/zinc/23/18/81/287231881.db2.gz KNPSKYQGIYVELA-ZJUUUORDSA-N 1 0 296.827 2.731 10 30 CFEERO Cc1ccc(-c2c[n+](CCC#N)c3n2CCC3)cc1 ZINC000006923700 170255957 /nfs/dbraw/zinc/25/59/57/170255957.db2.gz OKHFXYAGERWZOT-UHFFFAOYSA-N 1 0 252.341 2.611 10 30 CFEERO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1C#N ZINC000009998011 170394200 /nfs/dbraw/zinc/39/42/00/170394200.db2.gz ZQAKXVNCKHJCKG-BETUJISGSA-N 1 0 271.364 2.760 10 30 CFEERO C[NH+](C)CCN[C@@H](C#N)c1ccc(Cl)cc1Cl ZINC000020177045 171043153 /nfs/dbraw/zinc/04/31/53/171043153.db2.gz PALPRHPRUSPAOU-LBPRGKRZSA-N 1 0 272.179 2.709 10 30 CFEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(CC)n1C ZINC000661118374 413768726 /nfs/dbraw/zinc/76/87/26/413768726.db2.gz ZQDCAXJSVHIZAC-STQMWFEESA-N 1 0 262.401 2.602 10 30 CFEERO C#CCN1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000037217383 173036047 /nfs/dbraw/zinc/03/60/47/173036047.db2.gz TVNDNBAREXQNNN-ZDUSSCGKSA-N 1 0 260.356 2.574 10 30 CFEERO CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037393481 173173854 /nfs/dbraw/zinc/17/38/54/173173854.db2.gz VQJSIJLKDAAQAT-GFCCVEGCSA-N 1 0 265.744 2.524 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000659331145 414501135 /nfs/dbraw/zinc/50/11/35/414501135.db2.gz DYATYIFFONNPPZ-TUVASFSCSA-N 1 0 264.413 2.613 10 30 CFEERO N#CCCCOc1cccc(NC2CC[NH2+]CC2)c1 ZINC000038041524 174041892 /nfs/dbraw/zinc/04/18/92/174041892.db2.gz DMJMQDUNZCWCDT-UHFFFAOYSA-N 1 0 259.353 2.533 10 30 CFEERO CC[C@H](C)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000040415535 174255685 /nfs/dbraw/zinc/25/56/85/174255685.db2.gz CLVGHASWWFIMBE-QMMMGPOBSA-N 1 0 265.382 2.563 10 30 CFEERO CC[N@H+](Cc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747436 174392546 /nfs/dbraw/zinc/39/25/46/174392546.db2.gz GKWVAYYKYAAUOK-SJPCQFCGSA-N 1 0 269.392 2.663 10 30 CFEERO CCN(c1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748714 174393557 /nfs/dbraw/zinc/39/35/57/174393557.db2.gz JCOQMRLCQRZNEV-YIONKMFJSA-N 1 0 255.365 2.668 10 30 CFEERO C[C@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)c1ccccn1 ZINC000043343821 175016207 /nfs/dbraw/zinc/01/62/07/175016207.db2.gz XHRGKTNULUHAAA-BONVTDFDSA-N 1 0 271.295 2.560 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1C#N)c1cccnc1 ZINC000043350001 175019176 /nfs/dbraw/zinc/01/91/76/175019176.db2.gz FCIJTLJHDQDCSP-GDBMZVCRSA-N 1 0 267.332 2.811 10 30 CFEERO C[C@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)c1ccncc1 ZINC000043356208 175023768 /nfs/dbraw/zinc/02/37/68/175023768.db2.gz DQOIFQRLYLUGLJ-BONVTDFDSA-N 1 0 271.295 2.560 10 30 CFEERO Cc1ccc([C@@H](C[NH3+])Oc2cccc(F)c2C#N)o1 ZINC000043366965 175027036 /nfs/dbraw/zinc/02/70/36/175027036.db2.gz VLVKMYWEONQXJD-CQSZACIVSA-N 1 0 260.268 2.678 10 30 CFEERO C#CCOc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH2+]CC ZINC000043460417 175050818 /nfs/dbraw/zinc/05/08/18/175050818.db2.gz SSGMBOSDKGXWEH-AWEZNQCLSA-N 1 0 259.349 2.910 10 30 CFEERO C#CCCOc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH2+]C ZINC000043460290 175051101 /nfs/dbraw/zinc/05/11/01/175051101.db2.gz PEOWFAWJEYKNBF-AWEZNQCLSA-N 1 0 259.349 2.910 10 30 CFEERO CCC[NH2+]Cc1cccc(OCC)c1O[C@@H](C)C#N ZINC000043513521 175061647 /nfs/dbraw/zinc/06/16/47/175061647.db2.gz UMFMXEQRBOUOGI-LBPRGKRZSA-N 1 0 262.353 2.876 10 30 CFEERO CCOc1cc(C[NH3+])cc(Br)c1O[C@@H](C)C#N ZINC000043513768 175061701 /nfs/dbraw/zinc/06/17/01/175061701.db2.gz JNLLXCLOEZIMOQ-QMMMGPOBSA-N 1 0 299.168 2.597 10 30 CFEERO CC[C@@H]([NH3+])Cc1cc(Cl)ccc1O[C@H](C)C#N ZINC000043518660 175061827 /nfs/dbraw/zinc/06/18/27/175061827.db2.gz ZVQLWRUCQVXLFD-BXKDBHETSA-N 1 0 252.745 2.911 10 30 CFEERO CCOc1cc(C[C@H]([NH3+])CC)ccc1O[C@@H](C)C#N ZINC000043518674 175062085 /nfs/dbraw/zinc/06/20/85/175062085.db2.gz HTMAHVHCJIWEOF-WCQYABFASA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@@H](C#N)Oc1c(Br)cccc1C[NH3+] ZINC000043539004 175064076 /nfs/dbraw/zinc/06/40/76/175064076.db2.gz DZGNURXJHGEQIB-VIFPVBQESA-N 1 0 269.142 2.589 10 30 CFEERO CC[C@H](C#N)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)C ZINC000043538913 175064103 /nfs/dbraw/zinc/06/41/03/175064103.db2.gz BIBXXZPLUAEDTB-CYBMUJFWSA-N 1 0 277.324 2.774 10 30 CFEERO CC[C@H](C#N)Oc1ccc(Br)cc1CC[NH3+] ZINC000043543483 175064206 /nfs/dbraw/zinc/06/42/06/175064206.db2.gz AAXYCHPDHHUCTC-LLVKDONJSA-N 1 0 283.169 2.631 10 30 CFEERO CC[C@H]([NH3+])Cc1cc(OC)c(O[C@H](C#N)CC)c(OC)c1 ZINC000043543644 175064236 /nfs/dbraw/zinc/06/42/36/175064236.db2.gz VJVLWVDXJVHPDQ-STQMWFEESA-N 1 0 292.379 2.665 10 30 CFEERO CC[C@@H]([NH3+])Cc1ccc(O[C@H](C#N)CC)c(OC)c1 ZINC000043543605 175064341 /nfs/dbraw/zinc/06/43/41/175064341.db2.gz NAYOBIOVEHOIBM-OLZOCXBDSA-N 1 0 262.353 2.656 10 30 CFEERO C[C@@H](N(C)C(=O)c1ccc(C#CC[NH3+])c(F)c1)C(C)(C)C ZINC000043583167 175070638 /nfs/dbraw/zinc/07/06/38/175070638.db2.gz LRDZETOCTFITMO-GFCCVEGCSA-N 1 0 290.382 2.643 10 30 CFEERO CCOC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000043618096 175080386 /nfs/dbraw/zinc/08/03/86/175080386.db2.gz ADHBZJDBALFDSO-RYUDHWBXSA-N 1 0 260.337 2.551 10 30 CFEERO CCOC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000043618098 175080511 /nfs/dbraw/zinc/08/05/11/175080511.db2.gz ADHBZJDBALFDSO-VXGBXAGGSA-N 1 0 260.337 2.551 10 30 CFEERO CC[N@H+](Cc1sccc1C#CCO)Cc1ccncc1 ZINC000043678235 175088705 /nfs/dbraw/zinc/08/87/05/175088705.db2.gz RJWWSDSHUBNNRJ-UHFFFAOYSA-N 1 0 286.400 2.509 10 30 CFEERO CC(C)C[N@H+](Cc1ccc(C#CCO)s1)C1CC1 ZINC000043681966 175090993 /nfs/dbraw/zinc/09/09/93/175090993.db2.gz QHNWEUOYIFZGGA-UHFFFAOYSA-N 1 0 263.406 2.712 10 30 CFEERO CC(C)C[C@@H](C)[N@H+](C)Cc1sccc1C#CCO ZINC000043681975 175091015 /nfs/dbraw/zinc/09/10/15/175091015.db2.gz DJGJTVHTTJVDCR-CYBMUJFWSA-N 1 0 265.422 2.958 10 30 CFEERO CC(C)C[N@H+](Cc1ccc(C#CCO)s1)C(C)C ZINC000043681989 175091128 /nfs/dbraw/zinc/09/11/28/175091128.db2.gz LPROFZGGVFWYBI-UHFFFAOYSA-N 1 0 265.422 2.958 10 30 CFEERO COc1ccccc1OCc1ccc(C#CC[NH3+])s1 ZINC000043684862 175093748 /nfs/dbraw/zinc/09/37/48/175093748.db2.gz SOMIEIYDHIRCEZ-UHFFFAOYSA-N 1 0 273.357 2.646 10 30 CFEERO COc1ccc(COCc2ccc(C#CC[NH3+])s2)cc1 ZINC000043685137 175094007 /nfs/dbraw/zinc/09/40/07/175094007.db2.gz PVHPRXCQMZKZOG-UHFFFAOYSA-N 1 0 287.384 2.784 10 30 CFEERO [NH3+]CC#Cc1csc(CN2CCc3sccc3C2)c1 ZINC000043688805 175096083 /nfs/dbraw/zinc/09/60/83/175096083.db2.gz LAKMWGMOWKBPCF-UHFFFAOYSA-N 1 0 288.441 2.678 10 30 CFEERO [NH3+]CC#Cc1csc(COc2cccc(F)c2)c1 ZINC000043689265 175096212 /nfs/dbraw/zinc/09/62/12/175096212.db2.gz ZHXUXWVZUGEAQW-UHFFFAOYSA-N 1 0 261.321 2.776 10 30 CFEERO CC[C@H](C)C[N@H+](C)Cc1cc(C#CCCO)cs1 ZINC000043698577 175096564 /nfs/dbraw/zinc/09/65/64/175096564.db2.gz XTMTZRHAOGGEDO-ZDUSSCGKSA-N 1 0 265.422 2.960 10 30 CFEERO CC(C)C[C@H](C[NH+](C)C)Nc1nc2c(cc1C#N)CCC2 ZINC000044419867 175173694 /nfs/dbraw/zinc/17/36/94/175173694.db2.gz IMTIHHYLDULEGJ-OAHLLOKOSA-N 1 0 286.423 2.830 10 30 CFEERO C[C@H]([NH2+]C[C@H]1CCCCN1C)c1cccc(C#N)c1 ZINC000044560983 175204599 /nfs/dbraw/zinc/20/45/99/175204599.db2.gz SEJBJZJLUXZPEF-XJKSGUPXSA-N 1 0 257.381 2.693 10 30 CFEERO CCC[NH2+]CC(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000044648199 175223585 /nfs/dbraw/zinc/22/35/85/175223585.db2.gz PDGXBHDDMFHCBQ-UHFFFAOYSA-N 1 0 285.269 2.515 10 30 CFEERO C[N@H+](Cc1ccc(C#CCO)cc1F)CC(C)(C)C ZINC000045086823 175304146 /nfs/dbraw/zinc/30/41/46/175304146.db2.gz ZHJPSJPEJHTAAC-UHFFFAOYSA-N 1 0 263.356 2.647 10 30 CFEERO C[NH2+]C[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000071148226 176044242 /nfs/dbraw/zinc/04/42/42/176044242.db2.gz MGSRQORWPFBFSP-SNVBAGLBSA-N 1 0 283.297 2.623 10 30 CFEERO CCCN([C@@H](CC#N)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000071332217 176125547 /nfs/dbraw/zinc/12/55/47/176125547.db2.gz ZPPNTULZQSPNML-HOTGVXAUSA-N 1 0 257.381 2.715 10 30 CFEERO C=C(C)COCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000090450773 260259221 /nfs/dbraw/zinc/25/92/21/260259221.db2.gz GGIDUNGFAPALAP-GFCCVEGCSA-N 1 0 265.401 2.763 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N1CCC(Oc2ccccc2)CC1 ZINC000261794350 262756110 /nfs/dbraw/zinc/75/61/10/262756110.db2.gz READCSVWRPUKRM-CZUORRHYSA-N 1 0 287.407 2.514 10 30 CFEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000094337490 274238903 /nfs/dbraw/zinc/23/89/03/274238903.db2.gz YOOCWUPERUWWOE-MWLCHTKSSA-N 1 0 298.312 2.536 10 30 CFEERO C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C[NH2+]1 ZINC000034575203 274362438 /nfs/dbraw/zinc/36/24/38/274362438.db2.gz XSUSILNKXHRYEW-NXEZZACHSA-N 1 0 283.297 2.764 10 30 CFEERO C[C@H]1[NH2+]CCC[C@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000229601799 274632382 /nfs/dbraw/zinc/63/23/82/274632382.db2.gz WGQPPAJZBWBHQK-BXUZGUMPSA-N 1 0 266.348 2.659 10 30 CFEERO N#Cc1ccc(N2CCC([NH3+])CC2)cc1C(F)(F)F ZINC000036754900 274923539 /nfs/dbraw/zinc/92/35/39/274923539.db2.gz WHFHFTAVNNNXRY-UHFFFAOYSA-N 1 0 269.270 2.505 10 30 CFEERO C[NH+](C)[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000154089574 276874424 /nfs/dbraw/zinc/87/44/24/276874424.db2.gz BHUTXDLRZBGMIA-LBPRGKRZSA-N 1 0 283.297 2.717 10 30 CFEERO C[C@H](c1ccc(C#N)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248356514 278306043 /nfs/dbraw/zinc/30/60/43/278306043.db2.gz OKPGMVBJMANTSJ-PBHICJAKSA-N 1 0 269.392 2.789 10 30 CFEERO C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000123997510 278800959 /nfs/dbraw/zinc/80/09/59/278800959.db2.gz GSAWLCUCWIRZJU-YGRLFVJLSA-N 1 0 263.772 2.598 10 30 CFEERO C[C@H]1CCCN(c2cc(C#N)c3ccccc3n2)[C@@H]1C[NH3+] ZINC000070178584 279672006 /nfs/dbraw/zinc/67/20/06/279672006.db2.gz HWFRVKGPAGSOOI-BLLLJJGKSA-N 1 0 280.375 2.670 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1 ZINC000175051868 281194718 /nfs/dbraw/zinc/19/47/18/281194718.db2.gz WQWWRWBCMOBQDX-DLBZAZTESA-N 1 0 269.392 2.617 10 30 CFEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1 ZINC000333948703 303159634 /nfs/dbraw/zinc/15/96/34/303159634.db2.gz WOKDRLZYBRACTF-VUNQQRPYSA-N 1 0 297.402 2.678 10 30 CFEERO CC(C)c1nnc2n1C[C@@H]([NH2+]CC(C)(C)CCC#N)CC2 ZINC000174328034 329157501 /nfs/dbraw/zinc/15/75/01/329157501.db2.gz BFWIMVCPDMXZQD-ZDUSSCGKSA-N 1 0 289.427 2.636 10 30 CFEERO Cc1nc(C[C@@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)no1 ZINC000174839276 329164019 /nfs/dbraw/zinc/16/40/19/329164019.db2.gz UJGVZWPPMQILAL-AWEZNQCLSA-N 1 0 290.411 2.963 10 30 CFEERO CC[NH+]=C(NCC1CCOCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000179131947 329205732 /nfs/dbraw/zinc/20/57/32/329205732.db2.gz SKXMQPIGDCRADQ-HOTGVXAUSA-N 1 0 293.455 2.501 10 30 CFEERO [NH2+]=C(NC1CC1)NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000262204959 330004066 /nfs/dbraw/zinc/00/40/66/330004066.db2.gz SPQGUHALGXYDBO-UHFFFAOYSA-N 1 0 281.762 2.792 10 30 CFEERO COCc1ccccc1NC(=[NH2+])NCc1scnc1C ZINC000262416931 330008977 /nfs/dbraw/zinc/00/89/77/330008977.db2.gz QGQLGTQBSPHFNA-UHFFFAOYSA-N 1 0 290.392 2.525 10 30 CFEERO C[NH+]=C(NC(C)C)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262371098 330011284 /nfs/dbraw/zinc/01/12/84/330011284.db2.gz IQFOAFDFDKYWBI-JOYOIKCWSA-N 1 0 283.778 2.908 10 30 CFEERO C[C@H]1CCCN(C(=[NH2+])NCC2(C(F)(F)F)CCC2)C1 ZINC000262639633 330024000 /nfs/dbraw/zinc/02/40/00/330024000.db2.gz HNCCJUMTYIKJDO-JTQLQIEISA-N 1 0 277.334 2.766 10 30 CFEERO [NH2+]=C(N[C@H]1COc2ccccc21)NC1CCCCCC1 ZINC000262608317 330028447 /nfs/dbraw/zinc/02/84/47/330028447.db2.gz AFJJRMFRFGCPBY-AWEZNQCLSA-N 1 0 273.380 2.747 10 30 CFEERO CC[NH+]=C(NCCc1ccc2ccccc2n1)N[C@@H]1C[C@@H]1C ZINC000262832316 330034709 /nfs/dbraw/zinc/03/47/09/330034709.db2.gz RTOWYLFFHYCTIG-SUMWQHHRSA-N 1 0 296.418 2.741 10 30 CFEERO C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1Cl ZINC000424075767 330220874 /nfs/dbraw/zinc/22/08/74/330220874.db2.gz KJDFTNRAQSXMQK-ZWNOBZJWSA-N 1 0 279.771 2.538 10 30 CFEERO C#C[C@H](CC)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400331732 332707148 /nfs/dbraw/zinc/70/71/48/332707148.db2.gz DAIBDHZYMFDQDS-HZSPNIEDSA-N 1 0 280.412 2.633 10 30 CFEERO CCCC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174840640 333008525 /nfs/dbraw/zinc/00/85/25/333008525.db2.gz MCWXWRLHDMMMSD-AWEZNQCLSA-N 1 0 279.428 2.697 10 30 CFEERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC#Cc1ccccc1 ZINC000191945707 333227408 /nfs/dbraw/zinc/22/74/08/333227408.db2.gz YXSCMGOVHKXIAS-SQNIBIBYSA-N 1 0 297.398 2.844 10 30 CFEERO C=CCCCCC[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000193336437 333248240 /nfs/dbraw/zinc/24/82/40/333248240.db2.gz UAVPLVZZJTYQFZ-MRXNPFEDSA-N 1 0 268.445 2.775 10 30 CFEERO C[C@@H]([NH2+]C[C@H](C)C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000251074375 334355787 /nfs/dbraw/zinc/35/57/87/334355787.db2.gz GCZPHLIPVZLCOU-MCIONIFRSA-N 1 0 295.427 2.771 10 30 CFEERO C=CCOCC[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000383222559 336106302 /nfs/dbraw/zinc/10/63/02/336106302.db2.gz ZUSVGMFJWQYNOC-MNOVXSKESA-N 1 0 251.292 2.900 10 30 CFEERO CC(C)C[N@H+](C)Cc1ccc(C#CCCO)cc1F ZINC000049617755 519709144 /nfs/dbraw/zinc/70/91/44/519709144.db2.gz FMQFYMVQFWHSEW-UHFFFAOYSA-N 1 0 263.356 2.647 10 30 CFEERO CCC[C@H](C)C(=O)N[C@@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587105 521004521 /nfs/dbraw/zinc/00/45/21/521004521.db2.gz TULQGULYFKPFAK-KBPBESRZSA-N 1 0 272.392 2.610 10 30 CFEERO CCC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C#CCO ZINC000049613228 521036791 /nfs/dbraw/zinc/03/67/91/521036791.db2.gz XJIGZAIORLXPGU-ZDUSSCGKSA-N 1 0 263.356 2.790 10 30 CFEERO C#CCN1CCC([NH2+][C@@H](CC)c2cccs2)CC1 ZINC000049529512 518268397 /nfs/dbraw/zinc/26/83/97/518268397.db2.gz KFDGLHZHFHCWQE-AWEZNQCLSA-N 1 0 262.422 2.886 10 30 CFEERO C#CC[NH+]1CCC(Nc2ccc(OC)c(C)c2)CC1 ZINC000049528582 518269928 /nfs/dbraw/zinc/26/99/28/518269928.db2.gz PPIBYXUXMASXIS-UHFFFAOYSA-N 1 0 258.365 2.513 10 30 CFEERO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H]1C ZINC000052273751 518321639 /nfs/dbraw/zinc/32/16/39/518321639.db2.gz GSNZZJKLBIKMGZ-GXFFZTMASA-N 1 0 294.192 2.959 10 30 CFEERO C#CCSCC[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000182375778 518336836 /nfs/dbraw/zinc/33/68/36/518336836.db2.gz ZKPKUCGMKYVKMQ-ZDUSSCGKSA-N 1 0 263.406 2.755 10 30 CFEERO C=C(C)CN(CC)C(=O)[C@]1(CCC)CCC[NH2+]C1 ZINC000062852911 518595305 /nfs/dbraw/zinc/59/53/05/518595305.db2.gz YUBNMYHOJAGKSO-OAHLLOKOSA-N 1 0 252.402 2.581 10 30 CFEERO C=C(Cl)COc1ccccc1C[NH2+]CCOC ZINC000062729602 518651379 /nfs/dbraw/zinc/65/13/79/518651379.db2.gz CQXBDJLDZBBAAI-UHFFFAOYSA-N 1 0 255.745 2.554 10 30 CFEERO C=CCN(C(=O)CC[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000050947308 518730052 /nfs/dbraw/zinc/73/00/52/518730052.db2.gz JKLDPUCLWCVSFI-CQSZACIVSA-N 1 0 264.413 2.866 10 30 CFEERO C=CCN(CC=C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052376288 518770855 /nfs/dbraw/zinc/77/08/55/518770855.db2.gz MJWRXWZQAOCBKE-UHFFFAOYSA-N 1 0 265.426 2.815 10 30 CFEERO CC(C)(C)SCCOc1cccc(C#CC[NH3+])c1 ZINC000049611229 518911767 /nfs/dbraw/zinc/91/17/67/518911767.db2.gz WDJDBKTWCRCDSM-UHFFFAOYSA-N 1 0 263.406 2.907 10 30 CFEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CCC)c1cccs1 ZINC000049545066 518922433 /nfs/dbraw/zinc/92/24/33/518922433.db2.gz YFAUBDJXKBVQQQ-RYUDHWBXSA-N 1 0 266.410 2.870 10 30 CFEERO C=CCOc1ccccc1CN[C@@H](C)CC[NH+](C)C ZINC000049554025 519072415 /nfs/dbraw/zinc/07/24/15/519072415.db2.gz YWSXODQQADQHGV-AWEZNQCLSA-N 1 0 262.397 2.681 10 30 CFEERO CC(C)CC[C@@H](C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000069235780 519681758 /nfs/dbraw/zinc/68/17/58/519681758.db2.gz KVEVOFBPVBCXEX-CQSZACIVSA-N 1 0 272.392 2.551 10 30 CFEERO CC(C)CC[C@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000069235785 519690909 /nfs/dbraw/zinc/69/09/09/519690909.db2.gz KCKFFBSCAPOJNS-ZDUSSCGKSA-N 1 0 290.382 2.690 10 30 CFEERO CC(C)CC[C@H](C)NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000069235777 519691069 /nfs/dbraw/zinc/69/10/69/519691069.db2.gz QCDUARLDEANPGV-ZDUSSCGKSA-N 1 0 290.382 2.690 10 30 CFEERO CC(C)OCCOc1ccc2ccccc2c1C#CC[NH3+] ZINC000049260995 519768815 /nfs/dbraw/zinc/76/88/15/519768815.db2.gz VKKJAVNOJDMYJG-UHFFFAOYSA-N 1 0 283.371 2.954 10 30 CFEERO CCCC[N@H+](CC)[C@H](C/C(N)=N/O)c1ccccc1 ZINC000055020800 520481963 /nfs/dbraw/zinc/48/19/63/520481963.db2.gz JCPZTHOLAFOBGC-CQSZACIVSA-N 1 0 263.385 2.986 10 30 CFEERO CC[N@@H+]1CCC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000083420380 521624613 /nfs/dbraw/zinc/62/46/13/521624613.db2.gz BMEGGOJYMFHBRS-LLVKDONJSA-N 1 0 265.307 2.733 10 30 CFEERO CCC[N@H+](Cc1ccc(F)cc1C#CCCO)C1CC1 ZINC000049617703 521684126 /nfs/dbraw/zinc/68/41/26/521684126.db2.gz ODBKQVRCXITTQS-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO CC[N@@H+]1CC[C@@H](CNc2cccc(Cl)c2C#N)C1 ZINC000052903725 521711347 /nfs/dbraw/zinc/71/13/47/521711347.db2.gz QLSOWZQPULYYSN-NSHDSACASA-N 1 0 263.772 2.965 10 30 CFEERO CC[N@@H+]1CC[C@H](CNc2cccc(Cl)c2C#N)C1 ZINC000052903722 521717752 /nfs/dbraw/zinc/71/77/52/521717752.db2.gz QLSOWZQPULYYSN-LLVKDONJSA-N 1 0 263.772 2.965 10 30 CFEERO CC[C@@H](C)SCCOc1cccc(C#CC[NH3+])c1 ZINC000049611214 522273359 /nfs/dbraw/zinc/27/33/59/522273359.db2.gz YJJFWTCKLJLKSZ-CYBMUJFWSA-N 1 0 263.406 2.907 10 30 CFEERO COc1cc(C[NH3+])cc(Cl)c1OCCCCC#N ZINC000049578183 522362318 /nfs/dbraw/zinc/36/23/18/522362318.db2.gz NSUOXAUCXSRLEN-UHFFFAOYSA-N 1 0 268.744 2.880 10 30 CFEERO CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#CCO ZINC000049617505 523027753 /nfs/dbraw/zinc/02/77/53/523027753.db2.gz IVDHOMRLXHJQLV-KRWDZBQOSA-N 1 0 275.367 2.934 10 30 CFEERO CC[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1C#CC[NH3+] ZINC000049124755 523041706 /nfs/dbraw/zinc/04/17/06/523041706.db2.gz CAVDVQKHPMCLOH-YOEHRIQHSA-N 1 0 284.403 2.695 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C#N)ccc1OC ZINC000245979583 523319647 /nfs/dbraw/zinc/31/96/47/523319647.db2.gz GQIGRMWYVJGDRF-IRXDYDNUSA-N 1 0 299.418 2.625 10 30 CFEERO CN(Cc1ccccc1F)Cc1ccccc1C#CC[NH3+] ZINC000049609729 523370916 /nfs/dbraw/zinc/37/09/16/523370916.db2.gz DITNHKUOHSASQA-UHFFFAOYSA-N 1 0 282.362 2.768 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1COc1ccc(F)cc1 ZINC000049610516 523517606 /nfs/dbraw/zinc/51/76/06/523517606.db2.gz MNSPCMPBVQAKRZ-UHFFFAOYSA-N 1 0 285.318 2.724 10 30 CFEERO CC[C@H](C)[N@H+](C)Cc1ccc(C#CCCO)cc1F ZINC000049617187 523922557 /nfs/dbraw/zinc/92/25/57/523922557.db2.gz PUJQRDDONIMHAV-ZDUSSCGKSA-N 1 0 263.356 2.790 10 30 CFEERO CC[C@H](C)[N@H+](CC)CCOc1ccc(C#CCCO)cc1 ZINC000049617563 523934442 /nfs/dbraw/zinc/93/44/42/523934442.db2.gz XUWXEBIQOXTOQL-INIZCTEOSA-N 1 0 289.419 2.920 10 30 CFEERO COc1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1C#CCCO ZINC000049618485 524009864 /nfs/dbraw/zinc/00/98/64/524009864.db2.gz XVGGSXASTMOPOU-CQSZACIVSA-N 1 0 287.403 2.659 10 30 CFEERO COc1ccc(C[NH+]2CCC(C)CC2)cc1C#CCCO ZINC000049615526 524023464 /nfs/dbraw/zinc/02/34/64/524023464.db2.gz VDLFXCYQJPSYQI-UHFFFAOYSA-N 1 0 287.403 2.661 10 30 CFEERO C[C@H](CCC[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000336809543 524139759 /nfs/dbraw/zinc/13/97/59/524139759.db2.gz FTFDILCUAJBAER-MRVPVSSYSA-N 1 0 272.274 2.511 10 30 CFEERO C[C@H]1CCC[C@H](C)[NH+]1CCOc1cccc(C#CCO)c1 ZINC000049616881 524191648 /nfs/dbraw/zinc/19/16/48/524191648.db2.gz QPQKMTNMILOBDS-HOTGVXAUSA-N 1 0 287.403 2.672 10 30 CFEERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccccc1C#CCO ZINC000049616894 524278794 /nfs/dbraw/zinc/27/87/94/524278794.db2.gz VWUFYQAETLAVQC-HUUCEWRRSA-N 1 0 257.377 2.793 10 30 CFEERO C[C@@H]1CCC[C@@H](OCCOc2ccc(C#CC[NH3+])cc2)C1 ZINC000049610976 524317971 /nfs/dbraw/zinc/31/79/71/524317971.db2.gz BIHYTTAVCXKOCC-CRAIPNDOSA-N 1 0 287.403 2.971 10 30 CFEERO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(C#CCCO)cc1 ZINC000049618476 524320616 /nfs/dbraw/zinc/32/06/16/524320616.db2.gz LSSCMZDPSCIMFO-AWEZNQCLSA-N 1 0 257.377 2.651 10 30 CFEERO C[C@H]([NH3+])[C@@H]1CCCCN1c1c(C#N)cnc2ccccc21 ZINC000063196632 524841534 /nfs/dbraw/zinc/84/15/34/524841534.db2.gz HEVZFAIFGBXMRL-LRDDRELGSA-N 1 0 280.375 2.813 10 30 CFEERO COc1ccc(OCc2ccc(C#CC[NH3+])cc2)cc1 ZINC000049610570 524975262 /nfs/dbraw/zinc/97/52/62/524975262.db2.gz XVEMJKKHHPFSKD-UHFFFAOYSA-N 1 0 267.328 2.584 10 30 CFEERO C[C@H]1Cc2ccccc2N1Cc1cccc(C#CC[NH3+])c1 ZINC000049608557 524993742 /nfs/dbraw/zinc/99/37/42/524993742.db2.gz ZHENXHAQKCOMQM-HNNXBMFYSA-N 1 0 276.383 2.948 10 30 CFEERO Cc1cc(N[C@@H](C)C[NH+]2CCCCC2)c(C#N)c(C)n1 ZINC000156558694 525290386 /nfs/dbraw/zinc/29/03/86/525290386.db2.gz RIFZQUZBGYMFNB-ZDUSSCGKSA-N 1 0 272.396 2.856 10 30 CFEERO C[C@H](Nc1nc2c(cc1C#N)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000050164307 525679448 /nfs/dbraw/zinc/67/94/48/525679448.db2.gz TZTXADRUZBIVAA-JSGCOSHPSA-N 1 0 284.407 2.632 10 30 CFEERO CSC[C@H](C)C[NH2+]Cc1ccccc1OCC#N ZINC000069438767 525682182 /nfs/dbraw/zinc/68/21/82/525682182.db2.gz HVWZIVWKCFSKLY-GFCCVEGCSA-N 1 0 264.394 2.678 10 30 CFEERO Cc1c(F)cc(C#N)cc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050945028 525794854 /nfs/dbraw/zinc/79/48/54/525794854.db2.gz UIYZVYZEXGSUKN-ZDUSSCGKSA-N 1 0 289.354 2.867 10 30 CFEERO Cc1cnc(SCc2ccc(F)c(C#CC[NH3+])c2)nc1 ZINC000049612971 526102103 /nfs/dbraw/zinc/10/21/03/526102103.db2.gz IRCSOGNWKMIDFQ-UHFFFAOYSA-N 1 0 287.363 2.527 10 30 CFEERO Cc1nn(Cc2ccc(F)c(C#CC[NH3+])c2)c(C)c1Cl ZINC000050587893 526291124 /nfs/dbraw/zinc/29/11/24/526291124.db2.gz IBZHJCLXECAEHL-UHFFFAOYSA-N 1 0 291.757 2.651 10 30 CFEERO N#Cc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1F ZINC000192007769 526609332 /nfs/dbraw/zinc/60/93/32/526609332.db2.gz SGQTYWUEFZMCLR-UHFFFAOYSA-N 1 0 298.365 2.806 10 30 CFEERO N#Cc1ccc(F)cc1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000069402204 526642081 /nfs/dbraw/zinc/64/20/81/526642081.db2.gz YKKJKIWZNMNQGX-INIZCTEOSA-N 1 0 281.334 2.587 10 30 CFEERO N#Cc1ccc(N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000155834040 526665244 /nfs/dbraw/zinc/66/52/44/526665244.db2.gz BOETXULUDPKPCI-AWEZNQCLSA-N 1 0 288.351 2.786 10 30 CFEERO N#Cc1ccc(N[C@@H]2CCC[C@@H]2[NH3+])cc1C(F)(F)F ZINC000063177508 526666673 /nfs/dbraw/zinc/66/66/73/526666673.db2.gz LNLMMYIOWXUORX-NWDGAFQWSA-N 1 0 269.270 2.869 10 30 CFEERO N#Cc1ccccc1OCc1ccc(C#CC[NH3+])cc1F ZINC000049610825 526746919 /nfs/dbraw/zinc/74/69/19/526746919.db2.gz CYSLPYFUPNCERF-UHFFFAOYSA-N 1 0 280.302 2.587 10 30 CFEERO N[NH+]=C(NC1CCCCC1)C1(c2ccccc2)CC1 ZINC000061618627 526816875 /nfs/dbraw/zinc/81/68/75/526816875.db2.gz WNSKPYRESGQEBE-UHFFFAOYSA-N 1 0 257.381 2.913 10 30 CFEERO Cc1occc1CN(C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609921 526822440 /nfs/dbraw/zinc/82/24/40/526822440.db2.gz KNLCVVAYFLAFER-UHFFFAOYSA-N 1 0 286.350 2.669 10 30 CFEERO Cc1occc1C[N@@H+](C)Cc1ccccc1C#CCO ZINC000049614948 526826109 /nfs/dbraw/zinc/82/61/09/526826109.db2.gz XWWCUHBCWHPCNO-UHFFFAOYSA-N 1 0 269.344 2.564 10 30 CFEERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)no1 ZINC000195517720 526919488 /nfs/dbraw/zinc/91/94/88/526919488.db2.gz KLZOTQDDWLHJAA-AWEZNQCLSA-N 1 0 296.374 2.704 10 30 CFEERO Cc1[nH+]c2cc(N)ccc2n1Cc1cccc(C#N)c1 ZINC000052853203 527123854 /nfs/dbraw/zinc/12/38/54/527123854.db2.gz QPOFDKZLCYLQJE-UHFFFAOYSA-N 1 0 262.316 2.847 10 30 CFEERO [NH3+]CC#Cc1ccccc1CN1CCc2ccccc21 ZINC000049608616 527153526 /nfs/dbraw/zinc/15/35/26/527153526.db2.gz CMCBDEGWUJUXTB-UHFFFAOYSA-N 1 0 262.356 2.560 10 30 CFEERO [NH3+]CC#Cc1ccccc1COc1ccc(F)cc1F ZINC000049610385 527154810 /nfs/dbraw/zinc/15/48/10/527154810.db2.gz QYJUYDVYQWXTBC-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO OCC#Cc1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000049616476 527519232 /nfs/dbraw/zinc/51/92/32/527519232.db2.gz NARZIFGBOZFTKN-UHFFFAOYSA-N 1 0 277.367 2.589 10 30 CFEERO OCC#Cc1ccccc1C[NH+]1CCCCCCC1 ZINC000049617061 527521331 /nfs/dbraw/zinc/52/13/31/527521331.db2.gz FAINDCSXZPPXKV-UHFFFAOYSA-N 1 0 257.377 2.797 10 30 CFEERO C[C@@H]1CCC[N@H+](Cc2cc(C#CCO)cs2)[C@H]1C ZINC000252119557 574283678 /nfs/dbraw/zinc/28/36/78/574283678.db2.gz JCLLSFMRACNGFA-OLZOCXBDSA-N 1 0 263.406 2.712 10 30 CFEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000042335618 620659836 /nfs/dbraw/zinc/65/98/36/620659836.db2.gz OYISAYSYPAEDKQ-UONOGXRCSA-N 1 0 272.392 2.599 10 30 CFEERO CCCCCCC[N@@H+]1CCN(CCOCC)[C@H](C)C1 ZINC000157952027 617651941 /nfs/dbraw/zinc/65/19/41/617651941.db2.gz FPTFWWGWCTUOAJ-MRXNPFEDSA-N 1 0 270.461 2.999 10 30 CFEERO C[C@H]([NH3+])C1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000071386145 618107085 /nfs/dbraw/zinc/10/70/85/618107085.db2.gz OWSISJHHJRBUOW-LBPRGKRZSA-N 1 0 280.375 2.670 10 30 CFEERO C#Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000157012252 618161234 /nfs/dbraw/zinc/16/12/34/618161234.db2.gz MZNNUIGVNJUOFZ-QGZVFWFLSA-N 1 0 299.418 2.910 10 30 CFEERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000040502748 618196577 /nfs/dbraw/zinc/19/65/77/618196577.db2.gz ZQMLGFZMBNCQAK-GOEBONIOSA-N 1 0 287.407 2.724 10 30 CFEERO Cc1nc(C#N)cc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000308420285 618211443 /nfs/dbraw/zinc/21/14/43/618211443.db2.gz ONVHOZOSWCTQCG-ZDUSSCGKSA-N 1 0 295.390 2.589 10 30 CFEERO Cc1nc(NC[C@@]2(C)CCC[NH2+]C2)c(Cl)cc1C#N ZINC000261595495 619173391 /nfs/dbraw/zinc/17/33/91/619173391.db2.gz OBRXXVUOVIHTBC-AWEZNQCLSA-N 1 0 278.787 2.717 10 30 CFEERO C[C@H]([NH3+])[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000261593763 619173677 /nfs/dbraw/zinc/17/36/77/619173677.db2.gz ZHMMVDKCWIDCNE-YUMQZZPRSA-N 1 0 257.259 2.725 10 30 CFEERO C=C(Br)CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000227633021 623114831 /nfs/dbraw/zinc/11/48/31/623114831.db2.gz FXHKPWIJJJMFLM-STQMWFEESA-N 1 0 287.245 2.844 10 30 CFEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000229601788 623214369 /nfs/dbraw/zinc/21/43/69/623214369.db2.gz WGQPPAJZBWBHQK-SMDDNHRTSA-N 1 0 266.348 2.659 10 30 CFEERO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1O ZINC000061891336 623240434 /nfs/dbraw/zinc/24/04/34/623240434.db2.gz RFWHZPAJNOZDLM-WCQYABFASA-N 1 0 260.337 2.573 10 30 CFEERO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000061891993 623240567 /nfs/dbraw/zinc/24/05/67/623240567.db2.gz WLXIAOVHEKVFNB-JSGCOSHPSA-N 1 0 293.411 2.668 10 30 CFEERO C[NH+](C)Cc1ccc(Oc2ncccc2C#N)cc1 ZINC000067885517 624963382 /nfs/dbraw/zinc/96/33/82/624963382.db2.gz XPAIVMWRGKADIA-UHFFFAOYSA-N 1 0 253.305 2.807 10 30 CFEERO C[NH2+]CC1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000068771065 625027460 /nfs/dbraw/zinc/02/74/60/625027460.db2.gz VLXDNFASDLMASN-UHFFFAOYSA-N 1 0 280.375 2.542 10 30 CFEERO C#CCC[NH2+]Cc1cc(Br)ccc1F ZINC000082496970 625737169 /nfs/dbraw/zinc/73/71/69/625737169.db2.gz HVEKGDZOEXMSSL-UHFFFAOYSA-N 1 0 256.118 2.701 10 30 CFEERO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000101731443 625871193 /nfs/dbraw/zinc/87/11/93/625871193.db2.gz LGHHYCXNBKYXND-ZDUSSCGKSA-N 1 0 268.401 2.942 10 30 CFEERO C#CCOc1ccc(C[NH2+]C[C@H](C)N(CC)CC)cc1 ZINC000113318945 635532914 /nfs/dbraw/zinc/53/29/14/635532914.db2.gz MIYAWAVZETUHNG-HNNXBMFYSA-N 1 0 274.408 2.519 10 30 CFEERO C=C(C)C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000122540767 639188639 /nfs/dbraw/zinc/18/86/39/639188639.db2.gz BMFZRBAUZAMANJ-QWHCGFSZSA-N 1 0 268.401 2.846 10 30 CFEERO C#CCOc1ccccc1CNC[C@H](C)[NH+](CC)CC ZINC000078880589 650540966 /nfs/dbraw/zinc/54/09/66/650540966.db2.gz ZPXSQGCJKVMBEM-HNNXBMFYSA-N 1 0 274.408 2.519 10 30 CFEERO C=CCNC(NCC1CCC(C(F)(F)F)CC1)=[NH+]C ZINC000081686455 650723734 /nfs/dbraw/zinc/72/37/34/650723734.db2.gz DHAHPQMKEROBKH-UHFFFAOYSA-N 1 0 277.334 2.706 10 30 CFEERO CCCCCCCCCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000124808459 642335966 /nfs/dbraw/zinc/33/59/66/642335966.db2.gz DQTZOFYZHXCGCH-AWEZNQCLSA-N 1 0 254.418 2.853 10 30 CFEERO C#CCOc1ccccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245689286 650829633 /nfs/dbraw/zinc/82/96/33/650829633.db2.gz BBOIJXHRNXEYQL-HKUYNNGSSA-N 1 0 299.414 2.826 10 30 CFEERO CCCCCCCCCC(=O)NC[C@H]1CC[NH2+]C1 ZINC000133585160 646164861 /nfs/dbraw/zinc/16/48/61/646164861.db2.gz QYMWYMGWDWCGKS-AWEZNQCLSA-N 1 0 254.418 2.853 10 30 CFEERO C[N+](C)(C)CC#CC1(O)c2ccccc2-c2ccccc21 ZINC000002038888 717094207 /nfs/dbraw/zinc/09/42/07/717094207.db2.gz MVLLREBHZDPXAS-UHFFFAOYSA-N 1 0 278.375 2.613 10 30 CFEERO CN(CC(C)(C)[NH3+])c1ccc(C(F)(F)F)c(C#N)c1 ZINC000594692857 349474466 /nfs/dbraw/zinc/47/44/66/349474466.db2.gz DBAAAGJOHVZUJU-UHFFFAOYSA-N 1 0 271.286 2.751 10 30 CFEERO CO[C@H](C[NH2+][C@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000595482292 349639283 /nfs/dbraw/zinc/63/92/83/349639283.db2.gz MWJFYEUHOWSXMZ-QLFBSQMISA-N 1 0 250.386 2.864 10 30 CFEERO C=CC[C@@H]1CCC[N@@H+](Cc2ncccc2C(=O)OC)C1 ZINC000595657604 349692537 /nfs/dbraw/zinc/69/25/37/349692537.db2.gz CRJMKGYQDRIGEX-CYBMUJFWSA-N 1 0 274.364 2.656 10 30 CFEERO CC(C)[C@H]([NH3+])CCNc1c(F)cc(C#N)cc1F ZINC000596030221 349778706 /nfs/dbraw/zinc/77/87/06/349778706.db2.gz PAQTXUKGBAYRDJ-GFCCVEGCSA-N 1 0 253.296 2.622 10 30 CFEERO N#Cc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000127949275 187342383 /nfs/dbraw/zinc/34/23/83/187342383.db2.gz FCNANJVGYKBAPO-SJORKVTESA-N 1 0 270.376 2.685 10 30 CFEERO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1 ZINC000037163698 346328138 /nfs/dbraw/zinc/32/81/38/346328138.db2.gz UNKSHHULRLBENI-CABCVRRESA-N 1 0 261.365 2.645 10 30 CFEERO CC[NH2+]CCCNc1ccc(C(F)(F)F)cc1C#N ZINC000038043406 346336534 /nfs/dbraw/zinc/33/65/34/346336534.db2.gz KUBHPOAXRIACIQ-UHFFFAOYSA-N 1 0 271.286 2.989 10 30 CFEERO CC[C@@](C)([NH3+])C#Cc1c[nH]c2cncc(Br)c12 ZINC000725246255 539560824 /nfs/dbraw/zinc/56/08/24/539560824.db2.gz SSPLTOWVBZKSJT-CYBMUJFWSA-N 1 0 292.180 2.804 10 30 CFEERO CCc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000123182234 347818511 /nfs/dbraw/zinc/81/85/11/347818511.db2.gz MGJRUMXDNBWJKN-ACJLOTCBSA-N 1 0 299.418 2.708 10 30 CFEERO Cn1cc([C@@H]2CCCN2Cc2cc(C#N)cs2)cn1 ZINC000131952732 347881862 /nfs/dbraw/zinc/88/18/62/347881862.db2.gz AMVJWTFJZGMTDS-AWEZNQCLSA-N 1 0 272.377 2.690 10 30 CFEERO C=C(Br)COc1ccc(C[NH2+]C2CC2)nc1 ZINC000086791422 179336257 /nfs/dbraw/zinc/33/62/57/179336257.db2.gz ZNJLXMOPDHAVCD-UHFFFAOYSA-N 1 0 283.169 2.621 10 30 CFEERO N#Cc1cc2c(nc1NCc1ccc(C[NH3+])cc1)CCC2 ZINC000159592666 348013449 /nfs/dbraw/zinc/01/34/49/348013449.db2.gz YGIGAQSTBKWVSG-UHFFFAOYSA-N 1 0 278.359 2.513 10 30 CFEERO Cc1c(F)cc(C#N)cc1N[C@H]1CCC[N@@H+](C)CC1 ZINC000086818242 179346685 /nfs/dbraw/zinc/34/66/85/179346685.db2.gz FGENPUCXXLFSCH-ZDUSSCGKSA-N 1 0 261.344 2.902 10 30 CFEERO CC[C@@H]([NH3+])C#Cc1cc(Br)ccc1F ZINC000229905279 348203639 /nfs/dbraw/zinc/20/36/39/348203639.db2.gz REABLQGHXBDTFX-SNVBAGLBSA-N 1 0 256.118 2.677 10 30 CFEERO Cc1cc(C#N)ccc1CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251850315 348293607 /nfs/dbraw/zinc/29/36/07/348293607.db2.gz SZXLMMCHBRMRRD-PBHICJAKSA-N 1 0 269.392 2.535 10 30 CFEERO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCC[C@@H](O)C1 ZINC000311705626 348414508 /nfs/dbraw/zinc/41/45/08/348414508.db2.gz VBGYELSYXAXOCT-JKSUJKDBSA-N 1 0 258.365 2.541 10 30 CFEERO [NH3+]Cc1cccc(NC=NC(=O)OCc2ccccc2)c1 ZINC000584600932 348685573 /nfs/dbraw/zinc/68/55/73/348685573.db2.gz UMRNZHGUUYVUHQ-UHFFFAOYSA-N 1 0 283.331 2.732 10 30 CFEERO C=C[C@H](C)CC1([C@H]([NH3+])Cc2ccccc2)OCCO1 ZINC000584614832 348690687 /nfs/dbraw/zinc/69/06/87/348690687.db2.gz LCEOWEGJBRZFRJ-DZGCQCFKSA-N 1 0 261.365 2.512 10 30 CFEERO C=CC[NH+]1CCC(c2cccc(O)c2)([C@H](O)CC)CC1 ZINC000584637104 348699038 /nfs/dbraw/zinc/69/90/38/348699038.db2.gz UHLLKWZHQAZXAS-MRXNPFEDSA-N 1 0 275.392 2.683 10 30 CFEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594428332 349418937 /nfs/dbraw/zinc/41/89/37/349418937.db2.gz YECPYVPNKXSZDZ-FZMZJTMJSA-N 1 0 293.798 2.928 10 30 CFEERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(C(F)(F)F)cc1C#N ZINC000600963035 350638653 /nfs/dbraw/zinc/63/86/53/350638653.db2.gz QERCAANNZHAVPB-KCJUWKMLSA-N 1 0 269.270 2.503 10 30 CFEERO C[C@H]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C[NH2+]1 ZINC000600954752 350636276 /nfs/dbraw/zinc/63/62/76/350636276.db2.gz HMFRYPKPPZMEAA-WCBMZHEXSA-N 1 0 284.285 2.524 10 30 CFEERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000122876709 187057339 /nfs/dbraw/zinc/05/73/39/187057339.db2.gz SWXQGMPXOLYWIH-ZDUSSCGKSA-N 1 0 284.363 2.747 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(C#N)cs1 ZINC000123444929 187091982 /nfs/dbraw/zinc/09/19/82/187091982.db2.gz MGAXBEBDZBNZNX-CYBMUJFWSA-N 1 0 263.410 2.536 10 30 CFEERO C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000123987980 187117788 /nfs/dbraw/zinc/11/77/88/187117788.db2.gz IGISEUNWMJLLGN-HZMBPMFUSA-N 1 0 297.324 2.963 10 30 CFEERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cccc(C#N)c2)C1 ZINC000616598730 352379686 /nfs/dbraw/zinc/37/96/86/352379686.db2.gz QIPXKCGJYAHPBS-HNNXBMFYSA-N 1 0 258.365 2.773 10 30 CFEERO N#Cc1cccc([C@@H]2C[NH2+]CCN2Cc2ccccc2)c1 ZINC000616636807 352393471 /nfs/dbraw/zinc/39/34/71/352393471.db2.gz ZIUNVTQFSDWZIX-SFHVURJKSA-N 1 0 277.371 2.705 10 30 CFEERO N#Cc1ccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000616633091 352394168 /nfs/dbraw/zinc/39/41/68/352394168.db2.gz HXHNDDFEAVEKEL-GOSISDBHSA-N 1 0 277.371 2.705 10 30 CFEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CC)C1CCCCC1 ZINC000052339447 124084742 /nfs/dbraw/zinc/08/47/42/124084742.db2.gz BDDIWZDKEXJNHH-TZMCWYRMSA-N 1 0 252.402 2.626 10 30 CFEERO N#Cc1cc(N2CCC[C@H](C[NH3+])C2)ccc1C(F)(F)F ZINC000164072774 283103567 /nfs/dbraw/zinc/10/35/67/283103567.db2.gz ANROEVRRDCARMV-SNVBAGLBSA-N 1 0 283.297 2.752 10 30 CFEERO N#Cc1cc(N2CCC[C@@H]([NH3+])C2)ccc1C(F)(F)F ZINC000164070639 283103067 /nfs/dbraw/zinc/10/30/67/283103067.db2.gz NERPZKWSGGIQHW-SNVBAGLBSA-N 1 0 269.270 2.505 10 30 CFEERO N#Cc1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000063201469 283154932 /nfs/dbraw/zinc/15/49/32/283154932.db2.gz KUMKZMFHDIKPAN-OAHLLOKOSA-N 1 0 273.355 2.666 10 30 CFEERO N#Cc1ccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C(F)(F)F ZINC000261743228 283171560 /nfs/dbraw/zinc/17/15/60/283171560.db2.gz SHTSIJMAPJFUEX-ZKYQVNSYSA-N 1 0 295.308 2.751 10 30 CFEERO N#Cc1cccc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)n1 ZINC000301880066 283208222 /nfs/dbraw/zinc/20/82/22/283208222.db2.gz ZOZNGNUVFAAZQT-MRXNPFEDSA-N 1 0 284.407 2.798 10 30 CFEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000178307614 189104627 /nfs/dbraw/zinc/10/46/27/189104627.db2.gz KQJBSEBBRBKRME-INIZCTEOSA-N 1 0 298.365 2.867 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1OC ZINC000180838492 189278851 /nfs/dbraw/zinc/27/88/51/189278851.db2.gz BCWYZFDJKVOXQF-IAGOWNOFSA-N 1 0 299.418 2.625 10 30 CFEERO Cc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c(C#N)c(C)n1 ZINC000301807135 201211127 /nfs/dbraw/zinc/21/11/27/201211127.db2.gz YDOWULLCLJTRKF-KBPBESRZSA-N 1 0 272.396 2.855 10 30 CFEERO COc1ccc(C(=O)/C=C\[n+]2cccc(Cl)c2)cc1 ZINC000033374002 372492951 /nfs/dbraw/zinc/49/29/51/372492951.db2.gz UVJSBQSCKKCJEL-NTMALXAHSA-N 1 0 274.727 2.990 10 30 CFEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000042269355 372898456 /nfs/dbraw/zinc/89/84/56/372898456.db2.gz QDVGJVCADGIAKD-BDAKNGLRSA-N 1 0 272.801 2.743 10 30 CFEERO C#CCOc1ccc2ccccc2c1C[NH2+]CCN(C)C ZINC000045946464 373038767 /nfs/dbraw/zinc/03/87/67/373038767.db2.gz BAAVFXNOKZZLSC-UHFFFAOYSA-N 1 0 282.387 2.503 10 30 CFEERO CC[NH2+]CCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000054267252 373508924 /nfs/dbraw/zinc/50/89/24/373508924.db2.gz MWIDOXHKPFXJPY-UHFFFAOYSA-N 1 0 257.259 2.598 10 30 CFEERO C[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)[C@@H]1C[NH3+] ZINC000070178431 374141338 /nfs/dbraw/zinc/14/13/38/374141338.db2.gz VAOMYBPRYKKBCM-QMTHXVAHSA-N 1 0 263.772 2.775 10 30 CFEERO CC(C)[C@H]([NH3+])CNc1c(C#N)cnc2ccccc21 ZINC000070447840 374178060 /nfs/dbraw/zinc/17/80/60/374178060.db2.gz JSQXJJIKNRACAE-CYBMUJFWSA-N 1 0 254.337 2.502 10 30 CFEERO COc1ccc(C[NH2+][C@H](CC(C)C)CN(C)C)cc1C#N ZINC000087823693 374831091 /nfs/dbraw/zinc/83/10/91/374831091.db2.gz LRHFOUOVXWWWFV-MRXNPFEDSA-N 1 0 289.423 2.633 10 30 CFEERO C[C@H]([NH3+])[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000094337489 375352393 /nfs/dbraw/zinc/35/23/93/375352393.db2.gz YOOCWUPERUWWOE-GXSJLCMTSA-N 1 0 298.312 2.536 10 30 CFEERO C#Cc1cccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000119211305 376372753 /nfs/dbraw/zinc/37/27/53/376372753.db2.gz RFPWOLGXJRGUTI-CJNGLKHVSA-N 1 0 285.391 2.518 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(F)c(C#N)c1 ZINC000121642056 376875760 /nfs/dbraw/zinc/87/57/60/376875760.db2.gz WHJZAVLSWYWFJX-OAHLLOKOSA-N 1 0 275.371 2.613 10 30 CFEERO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131907109 377775894 /nfs/dbraw/zinc/77/58/94/377775894.db2.gz JUAKUOJSBQGZMN-GOSISDBHSA-N 1 0 295.386 2.769 10 30 CFEERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccc(C#N)c1 ZINC000135632332 378151346 /nfs/dbraw/zinc/15/13/46/378151346.db2.gz TWSAYJNZBUSJNV-RCBQFDQVSA-N 1 0 258.365 2.902 10 30 CFEERO C[NH+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000154089482 378537845 /nfs/dbraw/zinc/53/78/45/378537845.db2.gz BHUTXDLRZBGMIA-GFCCVEGCSA-N 1 0 283.297 2.717 10 30 CFEERO C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000158104392 378664680 /nfs/dbraw/zinc/66/46/80/378664680.db2.gz RBJNKYNEMUUWDH-GJZGRUSLSA-N 1 0 264.413 2.709 10 30 CFEERO N#CCc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000334419604 379266998 /nfs/dbraw/zinc/26/69/98/379266998.db2.gz QCIXSMHOWJHNTB-SJORKVTESA-N 1 0 270.376 2.896 10 30 CFEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000171699611 379377463 /nfs/dbraw/zinc/37/74/63/379377463.db2.gz XMEZNTGMRSYHAD-LBPRGKRZSA-N 1 0 293.436 2.759 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C#N)c1 ZINC000173332841 379727201 /nfs/dbraw/zinc/72/72/01/379727201.db2.gz NXCLAUVHBINLSX-HZPDHXFCSA-N 1 0 298.390 2.649 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000181374313 380782392 /nfs/dbraw/zinc/78/23/92/380782392.db2.gz YPOBUDUCWLUXMV-LSDHHAIUSA-N 1 0 281.444 2.857 10 30 CFEERO C#CCC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000186008631 381800533 /nfs/dbraw/zinc/80/05/33/381800533.db2.gz SQPIRAVGDNVRRS-HNNXBMFYSA-N 1 0 286.419 2.673 10 30 CFEERO CC[C@@](C)([NH3+])C#Cc1sccc1Br ZINC000307603078 382468502 /nfs/dbraw/zinc/46/85/02/382468502.db2.gz YMXMAVZYIACJMZ-SNVBAGLBSA-N 1 0 258.184 2.990 10 30 CFEERO N#Cc1ccc(N[C@@H](CC[NH3+])C(F)F)cc1C(F)(F)F ZINC000383255600 382541914 /nfs/dbraw/zinc/54/19/14/382541914.db2.gz FBFJAWOJAUGIFM-JTQLQIEISA-N 1 0 293.239 2.971 10 30 CFEERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000389735473 382616299 /nfs/dbraw/zinc/61/62/99/382616299.db2.gz UJNMJSVTKUWODY-ZANVPECISA-N 1 0 283.297 2.987 10 30 CFEERO C(#Cc1ccccc1)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000192078652 382704728 /nfs/dbraw/zinc/70/47/28/382704728.db2.gz NFXJTTJOTQDGDU-GOSISDBHSA-N 1 0 278.355 2.586 10 30 CFEERO N#Cc1ccnc(N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000336836850 382729772 /nfs/dbraw/zinc/72/97/72/382729772.db2.gz LHQKVZZUGVYJPX-HNNXBMFYSA-N 1 0 266.348 2.845 10 30 CFEERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000246841439 383111244 /nfs/dbraw/zinc/11/12/44/383111244.db2.gz BOJUIMNOJQKNDI-GRDNDAEWSA-N 1 0 271.408 2.938 10 30 CFEERO N#Cc1cc([N+](=O)[O-])ccc1NCC1([NH3+])CCCCC1 ZINC000261701458 383545042 /nfs/dbraw/zinc/54/50/42/383545042.db2.gz INLVSGBKUXZQMG-UHFFFAOYSA-N 1 0 274.324 2.540 10 30 CFEERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186198628 393542357 /nfs/dbraw/zinc/54/23/57/393542357.db2.gz PBWJWRYKNAHWEH-QGZVFWFLSA-N 1 0 299.418 2.747 10 30 CFEERO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000186260941 393543291 /nfs/dbraw/zinc/54/32/91/393543291.db2.gz WKKUXCRZBLZHSP-SFHVURJKSA-N 1 0 293.370 2.915 10 30 CFEERO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000183130879 393517056 /nfs/dbraw/zinc/51/70/56/393517056.db2.gz OAUWRYGJCSVRMS-WFASDCNBSA-N 1 0 263.768 2.849 10 30 CFEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000192588157 393626394 /nfs/dbraw/zinc/62/63/94/393626394.db2.gz MNFWVFPYJDZUBR-OLZOCXBDSA-N 1 0 278.421 2.988 10 30 CFEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000118400195 393911340 /nfs/dbraw/zinc/91/13/40/393911340.db2.gz ZKOWDYMGMYKIIT-CJNGLKHVSA-N 1 0 280.375 2.842 10 30 CFEERO Cc1nc(C[C@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)no1 ZINC000174839285 394379946 /nfs/dbraw/zinc/37/99/46/394379946.db2.gz UJGVZWPPMQILAL-CQSZACIVSA-N 1 0 290.411 2.963 10 30 CFEERO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000181361908 543021174 /nfs/dbraw/zinc/02/11/74/543021174.db2.gz FZYPYJPDMXEFIO-AWEZNQCLSA-N 1 0 290.382 2.985 10 30 CFEERO c1ccc(N2CCC(NC3=[NH+]CCCCC3)=N2)cc1 ZINC000006864335 170251124 /nfs/dbraw/zinc/25/11/24/170251124.db2.gz JQFWBVSMWRKTMN-UHFFFAOYSA-N 1 0 256.353 2.772 10 30 CFEERO C=CC[NH2+]CC[C@H]1CCC(=O)N1[C@@H](C)c1cccs1 ZINC000014974359 170650602 /nfs/dbraw/zinc/65/06/02/170650602.db2.gz WVCFSNJWSIGKSH-QWHCGFSZSA-N 1 0 278.421 2.966 10 30 CFEERO CCC(CC)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000035208054 172053611 /nfs/dbraw/zinc/05/36/11/172053611.db2.gz AGMVDELCEBEHQJ-UHFFFAOYSA-N 1 0 259.353 2.617 10 30 CFEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCCCC ZINC000661114664 413765359 /nfs/dbraw/zinc/76/53/59/413765359.db2.gz JLEIKTSYADCLEV-OWCLPIDISA-N 1 0 269.429 2.889 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C)n1CC ZINC000661114847 413766883 /nfs/dbraw/zinc/76/68/83/413766883.db2.gz NHCLCFLSIJWEJL-KGLIPLIRSA-N 1 0 262.401 2.831 10 30 CFEERO C=C(Cl)COc1c(C[C@@H](C)[NH3+])cccc1OC ZINC000037727599 173646711 /nfs/dbraw/zinc/64/67/11/173646711.db2.gz FWVGGCJHRKEKIE-SNVBAGLBSA-N 1 0 255.745 2.716 10 30 CFEERO C=C(Cl)COc1cc(C[C@@H](C)[NH3+])ccc1OC ZINC000037728009 173647388 /nfs/dbraw/zinc/64/73/88/173647388.db2.gz LXGMMCKTNUGCJA-SNVBAGLBSA-N 1 0 255.745 2.716 10 30 CFEERO CC[C@@H](C/C(N)=N/O)[N@H+](C)C1CCC(CC)CC1 ZINC000042516028 174767251 /nfs/dbraw/zinc/76/72/51/174767251.db2.gz ZEUZZDPYCSGWNT-CPCZMJQVSA-N 1 0 255.406 2.802 10 30 CFEERO C[C@H](N(C)C(=O)c1ccccc1C#CC[NH3+])C(C)(C)C ZINC000042797748 174881808 /nfs/dbraw/zinc/88/18/08/174881808.db2.gz GVYFMLMZBFIGRM-ZDUSSCGKSA-N 1 0 272.392 2.503 10 30 CFEERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CCC#N ZINC000043051146 174958936 /nfs/dbraw/zinc/95/89/36/174958936.db2.gz SRNACJQQWXWCPN-KGLIPLIRSA-N 1 0 265.788 2.964 10 30 CFEERO COc1cc(C#N)ccc1O[C@@H]([C@H](C)[NH3+])C(C)(C)C ZINC000043295369 174998858 /nfs/dbraw/zinc/99/88/58/174998858.db2.gz JMWVOHJSMKSSTL-HZMBPMFUSA-N 1 0 262.353 2.708 10 30 CFEERO Cc1c(F)cccc1NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000043322870 175006588 /nfs/dbraw/zinc/00/65/88/175006588.db2.gz TVNVVCWHUGJIIU-UHFFFAOYSA-N 1 0 282.318 2.697 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)c1ccccn1 ZINC000043342295 175015617 /nfs/dbraw/zinc/01/56/17/175015617.db2.gz MFEJKZOLQSHORX-ZBFHGGJFSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1C#N)c1cccnc1 ZINC000043350005 175019286 /nfs/dbraw/zinc/01/92/86/175019286.db2.gz FCIJTLJHDQDCSP-ZBFHGGJFSA-N 1 0 267.332 2.811 10 30 CFEERO C[C@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)c1ccncc1 ZINC000043356210 175023685 /nfs/dbraw/zinc/02/36/85/175023685.db2.gz DQOIFQRLYLUGLJ-ZUZCIYMTSA-N 1 0 271.295 2.560 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1C#N)C(F)(F)F ZINC000043384080 175031374 /nfs/dbraw/zinc/03/13/74/175031374.db2.gz UVVOLFJYOBPWEQ-MWLCHTKSSA-N 1 0 258.243 2.605 10 30 CFEERO CC[C@@H]([NH3+])[C@H](Oc1cccc(C#N)c1)C(F)(F)F ZINC000043384409 175031835 /nfs/dbraw/zinc/03/18/35/175031835.db2.gz XZRVWCWBODIBMN-MNOVXSKESA-N 1 0 258.243 2.605 10 30 CFEERO CC1(C)C[C@@H]([NH3+])c2ccc(OCCCC#N)cc2O1 ZINC000043460127 175051167 /nfs/dbraw/zinc/05/11/67/175051167.db2.gz ONNINXUDCUGROM-CYBMUJFWSA-N 1 0 260.337 2.930 10 30 CFEERO C[C@@H](C#N)Oc1ccc(Cl)cc1C[NH2+]C1CC1 ZINC000043513457 175061620 /nfs/dbraw/zinc/06/16/20/175061620.db2.gz KEICKXJDQCPXOD-VIFPVBQESA-N 1 0 250.729 2.883 10 30 CFEERO CC[C@@H](C#N)Oc1c(C[NH2+]C2CC2)cccc1OC ZINC000043538890 175063739 /nfs/dbraw/zinc/06/37/39/175063739.db2.gz DKAOPKVRJKXONB-ZDUSSCGKSA-N 1 0 260.337 2.628 10 30 CFEERO CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1O[C@@H](C#N)CC ZINC000043538911 175063926 /nfs/dbraw/zinc/06/39/26/175063926.db2.gz JZPSBDXTWWDPMH-CYBMUJFWSA-N 1 0 277.324 2.775 10 30 CFEERO CCCOc1ccc(C[NH2+]C)c(O[C@H](C#N)CC)c1 ZINC000043538894 175064010 /nfs/dbraw/zinc/06/40/10/175064010.db2.gz MQYFBEFVZQJMHH-ZDUSSCGKSA-N 1 0 262.353 2.876 10 30 CFEERO CC[C@@H](C#N)Oc1c(Br)cc(C[NH3+])cc1OC ZINC000043538968 175064070 /nfs/dbraw/zinc/06/40/70/175064070.db2.gz BDFAZKGRRAKHIA-VIFPVBQESA-N 1 0 299.168 2.597 10 30 CFEERO CCCCN(C(=O)c1ccc(C#CC[NH3+])c(F)c1)C1CC1 ZINC000043583037 175069863 /nfs/dbraw/zinc/06/98/63/175069863.db2.gz YLEGKLRYNQAAHH-UHFFFAOYSA-N 1 0 288.366 2.541 10 30 CFEERO CC[C@H](C)[N@H+](C)Cc1ccc(C#CCCO)s1 ZINC000043679354 175089763 /nfs/dbraw/zinc/08/97/63/175089763.db2.gz CUCWUUSUILFLEO-LBPRGKRZSA-N 1 0 251.395 2.712 10 30 CFEERO CC1CC[NH+](Cc2ccc(C#CCCO)s2)CC1 ZINC000043678785 175089893 /nfs/dbraw/zinc/08/98/93/175089893.db2.gz XAYINEBRXUAGFG-UHFFFAOYSA-N 1 0 263.406 2.714 10 30 CFEERO CC[C@@H](C)[N@H+](CCOC)Cc1sccc1C#CCCO ZINC000043681986 175090925 /nfs/dbraw/zinc/09/09/25/175090925.db2.gz OLZDBHSKQVQBMB-CQSZACIVSA-N 1 0 295.448 2.729 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2ccccc2[N+](=O)[O-])s1 ZINC000043685345 175094213 /nfs/dbraw/zinc/09/42/13/175094213.db2.gz NFYZXQOPELFPCT-UHFFFAOYSA-N 1 0 288.328 2.546 10 30 CFEERO Cc1occc1CN(C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689027 175095780 /nfs/dbraw/zinc/09/57/80/175095780.db2.gz LCYBCSAISFFDPF-UHFFFAOYSA-N 1 0 274.389 2.592 10 30 CFEERO CC1(NC(=O)c2cc(C#CC[NH3+])ccc2F)CCCCC1 ZINC000045047654 175296985 /nfs/dbraw/zinc/29/69/85/175296985.db2.gz DBFJRYYHADGYML-UHFFFAOYSA-N 1 0 288.366 2.589 10 30 CFEERO CC1(NC(=O)c2cc(F)ccc2C#CC[NH3+])CCCCC1 ZINC000045047653 175297022 /nfs/dbraw/zinc/29/70/22/175297022.db2.gz UAAACFRSUCKCKW-UHFFFAOYSA-N 1 0 288.366 2.589 10 30 CFEERO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@H+](C)CC(C)(C)C ZINC000045073493 175302462 /nfs/dbraw/zinc/30/24/62/175302462.db2.gz RSOKLAIEAUPYEB-LBPRGKRZSA-N 1 0 273.380 2.863 10 30 CFEERO C[N@H+](Cc1ccc(C#CCCO)cc1)CC(C)(C)C ZINC000045086794 175304394 /nfs/dbraw/zinc/30/43/94/175304394.db2.gz HNLIDSYBARHGDL-UHFFFAOYSA-N 1 0 259.393 2.898 10 30 CFEERO C[N@H+](Cc1ccc(F)c(C#CCO)c1)CC(C)(C)C ZINC000045086830 175304561 /nfs/dbraw/zinc/30/45/61/175304561.db2.gz VSPCAXWMNHZTDZ-UHFFFAOYSA-N 1 0 263.356 2.647 10 30 CFEERO C[NH2+]C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000071148109 176044057 /nfs/dbraw/zinc/04/40/57/176044057.db2.gz OPYRJLXQIMFDHC-JTQLQIEISA-N 1 0 283.297 2.623 10 30 CFEERO CCCN(c1ccc(C#N)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071332408 176125598 /nfs/dbraw/zinc/12/55/98/176125598.db2.gz XMRJQMRXLPFXNJ-ZDUSSCGKSA-N 1 0 263.772 2.790 10 30 CFEERO N#Cc1ccc(N[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000071397721 176151523 /nfs/dbraw/zinc/15/15/23/176151523.db2.gz XSIAAEJMVNIFBI-NSHDSACASA-N 1 0 269.270 2.741 10 30 CFEERO N#CC1(c2cccc(Br)c2)CC[NH2+]CC1 ZINC000071597534 176220650 /nfs/dbraw/zinc/22/06/50/176220650.db2.gz SCKIBKIFLGJUQZ-UHFFFAOYSA-N 1 0 265.154 2.594 10 30 CFEERO C=C(C)COc1ccc(C(=O)C2CC[NH2+]CC2)cc1 ZINC000074367897 176533508 /nfs/dbraw/zinc/53/35/08/176533508.db2.gz YAWUZHRRLVTKMW-UHFFFAOYSA-N 1 0 259.349 2.824 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000094337554 274922529 /nfs/dbraw/zinc/92/25/29/274922529.db2.gz SDKIRCNAOPGLQD-GXSJLCMTSA-N 1 0 298.312 2.901 10 30 CFEERO CC[NH2+]CC1CCN(c2cccc(F)c2C#N)CC1 ZINC000131593406 276264560 /nfs/dbraw/zinc/26/45/60/276264560.db2.gz XOLIHPGLOAXXAV-UHFFFAOYSA-N 1 0 261.344 2.523 10 30 CFEERO C[NH2+][C@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000053204779 277300296 /nfs/dbraw/zinc/30/02/96/277300296.db2.gz SYXYBEDBAXQCGZ-LBPRGKRZSA-N 1 0 283.297 2.765 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382478018 324428955 /nfs/dbraw/zinc/42/89/55/324428955.db2.gz KQUFUELLCMILNK-PSASIEDQSA-N 1 0 284.285 2.511 10 30 CFEERO N#CCCCCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000171037635 329074233 /nfs/dbraw/zinc/07/42/33/329074233.db2.gz MCKDTLWIMQNPFO-AWEZNQCLSA-N 1 0 287.411 2.835 10 30 CFEERO C=CCn1c(C)cc(C(=O)CN2CCS[C@H](C)C2)c1C ZINC000171697039 329078590 /nfs/dbraw/zinc/07/85/90/329078590.db2.gz XTFNENFDINJKKN-CYBMUJFWSA-N 1 0 292.448 2.911 10 30 CFEERO [NH2+]=C(NC[C@H]1CCc2ccccc21)Nc1ccccn1 ZINC000178574180 329200829 /nfs/dbraw/zinc/20/08/29/329200829.db2.gz ALWQLLHLAQBKRP-CYBMUJFWSA-N 1 0 266.348 2.538 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000181095501 329225960 /nfs/dbraw/zinc/22/59/60/329225960.db2.gz KFRQRMGJHDPXCQ-LSDHHAIUSA-N 1 0 279.428 2.611 10 30 CFEERO C=C(C)C[N@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190508586 329398803 /nfs/dbraw/zinc/39/88/03/329398803.db2.gz FJZVDOSHGZFIDO-OAHLLOKOSA-N 1 0 296.455 2.691 10 30 CFEERO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000262301896 330005152 /nfs/dbraw/zinc/00/51/52/330005152.db2.gz ZWYKTWCOCQUWAE-HOTUBEGUSA-N 1 0 267.323 2.524 10 30 CFEERO CC[C@H](C)NC(=[NH2+])NCc1nc(C(C)C)c(C)s1 ZINC000262325159 330006148 /nfs/dbraw/zinc/00/61/48/330006148.db2.gz SVFCIJLOUDVILM-VIFPVBQESA-N 1 0 268.430 2.778 10 30 CFEERO [NH2+]=C(NCC1(C(F)F)CC1)NC1CCCCCC1 ZINC000262458352 330014499 /nfs/dbraw/zinc/01/44/99/330014499.db2.gz LSQWCCYQUOBFRW-UHFFFAOYSA-N 1 0 259.344 2.659 10 30 CFEERO [NH2+]=C(NCC1CCC1)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000262542803 330020380 /nfs/dbraw/zinc/02/03/80/330020380.db2.gz SPRQCUFTBJMEFI-MFKMUULPSA-N 1 0 279.334 2.525 10 30 CFEERO COc1ccc([C@H]2C[C@H](NC(=[NH2+])NC3CCC3)C2)cc1F ZINC000263068451 330041973 /nfs/dbraw/zinc/04/19/73/330041973.db2.gz GKMUUYKFUSGZQD-AULYBMBSSA-N 1 0 291.370 2.537 10 30 CFEERO [NH2+]=C(NC[C@@H]1C[C@H]1C1CCCCC1)N1CCSCC1 ZINC000263182289 330047943 /nfs/dbraw/zinc/04/79/43/330047943.db2.gz UKHUHOJETUQUGL-KBPBESRZSA-N 1 0 281.469 2.566 10 30 CFEERO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400446305 332710316 /nfs/dbraw/zinc/71/03/16/332710316.db2.gz PPTUWAFNFOVDGF-RYUDHWBXSA-N 1 0 288.819 2.974 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC#Cc1ccc(F)cc1 ZINC000246138922 334235953 /nfs/dbraw/zinc/23/59/53/334235953.db2.gz RWOBIOFHPMQQOF-ROUUACIJSA-N 1 0 286.394 2.736 10 30 CFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCCOCc1ccccc1 ZINC000342781562 335186717 /nfs/dbraw/zinc/18/67/17/335186717.db2.gz MKKHCPDOLMWOMR-CVEARBPZSA-N 1 0 258.365 2.875 10 30 CFEERO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000049199133 519814748 /nfs/dbraw/zinc/81/47/48/519814748.db2.gz IHYTZUQRQGHKFN-CJNGLKHVSA-N 1 0 259.397 2.795 10 30 CFEERO CC[NH+](CC)CCN[C@]1(C#N)CCC[C@@H](C(F)(F)F)C1 ZINC000069384724 520690355 /nfs/dbraw/zinc/69/03/55/520690355.db2.gz SGNFNROKUQUHLF-CHWSQXEVSA-N 1 0 291.361 2.933 10 30 CFEERO CC[C@@H](C)[N@H+](CC)CCOc1ccc(C#CCO)cc1 ZINC000049617588 522083612 /nfs/dbraw/zinc/08/36/12/522083612.db2.gz XSJIFVITMZIEBS-OAHLLOKOSA-N 1 0 275.392 2.530 10 30 CFEERO C#CCCOc1cc(C[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000050517320 518250779 /nfs/dbraw/zinc/25/07/79/518250779.db2.gz SSYNYFLRJANRAY-UHFFFAOYSA-N 1 0 276.336 2.885 10 30 CFEERO C#CC[NH+]1CCC(Nc2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000050439614 518271174 /nfs/dbraw/zinc/27/11/74/518271174.db2.gz DDWHZJSQWLUOMA-UHFFFAOYSA-N 1 0 287.363 2.721 10 30 CFEERO C=CC[NH2+]CCOc1ccc(OCC)cc1CC=C ZINC000053587464 518951303 /nfs/dbraw/zinc/95/13/03/518951303.db2.gz MRDZGHXPMHFBOI-UHFFFAOYSA-N 1 0 261.365 2.968 10 30 CFEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000051998394 519072531 /nfs/dbraw/zinc/07/25/31/519072531.db2.gz WUWAAIKDCOLWEF-HUUCEWRRSA-N 1 0 261.365 2.645 10 30 CFEERO CC(C)CC[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000069235776 519681784 /nfs/dbraw/zinc/68/17/84/519681784.db2.gz QCDUARLDEANPGV-CYBMUJFWSA-N 1 0 290.382 2.690 10 30 CFEERO CC(C)CC[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000069235788 519682028 /nfs/dbraw/zinc/68/20/28/519682028.db2.gz SOCSEBDLAJQKMH-CQSZACIVSA-N 1 0 272.392 2.551 10 30 CFEERO CCC[NH2+][C@@H](C)c1nnn(-c2cc(C#N)ccc2C)c1C ZINC000050436689 519991499 /nfs/dbraw/zinc/99/14/99/519991499.db2.gz VNOLMNSRRSUYNL-LBPRGKRZSA-N 1 0 283.379 2.816 10 30 CFEERO CC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000061270378 520168529 /nfs/dbraw/zinc/16/85/29/520168529.db2.gz SXBHYAJGCONQAP-SECBINFHSA-N 1 0 265.744 2.538 10 30 CFEERO CC[NH+](CC)CCOc1cccc2c1CC/C2=N\O ZINC000062800278 520699409 /nfs/dbraw/zinc/69/94/09/520699409.db2.gz XHTSHKLUNSATLA-JQIJEIRASA-N 1 0 262.353 2.532 10 30 CFEERO CCOc1ccc(OCc2ccc(C#CC[NH3+])cc2)cc1 ZINC000049610401 521181599 /nfs/dbraw/zinc/18/15/99/521181599.db2.gz RCVOLKAATGTKBR-UHFFFAOYSA-N 1 0 281.355 2.975 10 30 CFEERO CCC[NH+](CCC)Cc1ccc(F)cc1C#CCO ZINC000049616306 521648621 /nfs/dbraw/zinc/64/86/21/521648621.db2.gz GPUOOMSQZIJNPH-UHFFFAOYSA-N 1 0 263.356 2.792 10 30 CFEERO C[NH2+]C[C@@H]1CCCCN1c1ccc(C#N)cc1Cl ZINC000063169401 522039980 /nfs/dbraw/zinc/03/99/80/522039980.db2.gz XRRVJYARFZOOBF-LBPRGKRZSA-N 1 0 263.772 2.790 10 30 CFEERO C[NH2+]C[C@@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000156665132 522052821 /nfs/dbraw/zinc/05/28/21/522052821.db2.gz BCIMTOGYRLAPEG-LBPRGKRZSA-N 1 0 283.297 2.765 10 30 CFEERO CN(C)c1cccc(OCc2ccc(C#CC[NH3+])cc2)c1 ZINC000049611152 522283350 /nfs/dbraw/zinc/28/33/50/522283350.db2.gz KCILXGUPFQJJKL-UHFFFAOYSA-N 1 0 280.371 2.642 10 30 CFEERO C[NH2+][C@@H](C)CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000261588081 522325416 /nfs/dbraw/zinc/32/54/16/522325416.db2.gz VLWKUXLYYRWNQW-QMMMGPOBSA-N 1 0 257.259 2.597 10 30 CFEERO CC[C@@H](NC(=O)c1ccccc1C#CC[NH3+])c1cccs1 ZINC000049533324 522795107 /nfs/dbraw/zinc/79/51/07/522795107.db2.gz NZPNYPPYZDOEJQ-OAHLLOKOSA-N 1 0 298.411 2.939 10 30 CFEERO CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049124772 523043348 /nfs/dbraw/zinc/04/33/48/523043348.db2.gz BRIPCCWLLVWQJC-RDJZCZTQSA-N 1 0 284.403 2.695 10 30 CFEERO CC[C@H]1CCC[N@H+](Cc2cc(C#CCO)ccc2OC)C1 ZINC000049613055 523091653 /nfs/dbraw/zinc/09/16/53/523091653.db2.gz CBLSIFBXIMNWJX-HNNXBMFYSA-N 1 0 287.403 2.661 10 30 CFEERO C[N@H+](Cc1ccc(Cl)cc1)CC1(C=O)CCOCC1 ZINC000052180345 523228354 /nfs/dbraw/zinc/22/83/54/523228354.db2.gz MJJJXUTWUCHMLX-UHFFFAOYSA-N 1 0 281.783 2.768 10 30 CFEERO CC[C@@H]1CCC[N@@H+]1CCOc1cccc(C#CCCO)c1 ZINC000049615096 523266924 /nfs/dbraw/zinc/26/69/24/523266924.db2.gz DNIMCSHILFHZRB-QGZVFWFLSA-N 1 0 287.403 2.674 10 30 CFEERO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCCCC1=O ZINC000062749622 523297313 /nfs/dbraw/zinc/29/73/13/523297313.db2.gz NNOZZFJUCVCFFV-OAHLLOKOSA-N 1 0 256.349 2.892 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(C#N)c1 ZINC000245418606 523486547 /nfs/dbraw/zinc/48/65/47/523486547.db2.gz GQIBHCAXTLSINE-SJORKVTESA-N 1 0 269.392 2.617 10 30 CFEERO COc1ccc(C#CCCO)cc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000049616010 523510208 /nfs/dbraw/zinc/51/02/08/523510208.db2.gz DYJPDTIQZFQIEL-OAHLLOKOSA-N 1 0 287.403 2.661 10 30 CFEERO CC[C@H](C)C[N@H+](C)Cc1ccc(F)cc1C#CCO ZINC000049617913 523868912 /nfs/dbraw/zinc/86/89/12/523868912.db2.gz LATLWOYHSHPARA-ZDUSSCGKSA-N 1 0 263.356 2.647 10 30 CFEERO CC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C#CCCO ZINC000049617230 523923223 /nfs/dbraw/zinc/92/32/23/523923223.db2.gz FVBORXKMDWJAIV-ZDUSSCGKSA-N 1 0 263.356 2.790 10 30 CFEERO CC[C@H](C)[N@H+](CC)Cc1ccc(C#CCO)cc1F ZINC000049617608 523934603 /nfs/dbraw/zinc/93/46/03/523934603.db2.gz AWQRCACJHXMYSX-ZDUSSCGKSA-N 1 0 263.356 2.790 10 30 CFEERO COc1ccc(CN(C)c2ccccc2)cc1C#CC[NH3+] ZINC000049608421 524011281 /nfs/dbraw/zinc/01/12/81/524011281.db2.gz BKIOKNJXYPFLED-UHFFFAOYSA-N 1 0 280.371 2.642 10 30 CFEERO C[C@@H]1CCCC[C@@]12NCC[NH+]=C2NCc1cccc(F)c1 ZINC000046153246 524153421 /nfs/dbraw/zinc/15/34/21/524153421.db2.gz LPAKEXKWZXNPTJ-CXAGYDPISA-N 1 0 289.398 2.866 10 30 CFEERO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C#CCO)cc1 ZINC000049616897 524190448 /nfs/dbraw/zinc/19/04/48/524190448.db2.gz DBYOLTHNVABGBG-GJZGRUSLSA-N 1 0 257.377 2.793 10 30 CFEERO Cc1cccc(C(=O)Nc2cc(C#CC[NH3+])ccc2Cl)n1 ZINC000061692025 524213552 /nfs/dbraw/zinc/21/35/52/524213552.db2.gz KDQCWURKHQRKNQ-UHFFFAOYSA-N 1 0 299.761 2.606 10 30 CFEERO C[C@@H]1CCC[N@H+](CCOc2ccc(C#CCO)cc2)[C@@H]1C ZINC000050566717 524229805 /nfs/dbraw/zinc/22/98/05/524229805.db2.gz MMVGLLWGYRJHDM-HZPDHXFCSA-N 1 0 287.403 2.530 10 30 CFEERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(F)cc1C#CCO ZINC000049616921 524363111 /nfs/dbraw/zinc/36/31/11/524363111.db2.gz WPKMDZKFJQFVAN-OKILXGFUSA-N 1 0 275.367 2.932 10 30 CFEERO Cc1cccc(C[N@H+](C)Cc2ccc(C#CCO)cc2)c1 ZINC000049615091 524374688 /nfs/dbraw/zinc/37/46/88/524374688.db2.gz YTOYPZZLLWFDMZ-UHFFFAOYSA-N 1 0 279.383 2.971 10 30 CFEERO Cc1ccc(C[N@@H+](C)Cc2ccccc2C#CCO)cc1 ZINC000049617048 524395358 /nfs/dbraw/zinc/39/53/58/524395358.db2.gz CAUCSIILKUDSJB-UHFFFAOYSA-N 1 0 279.383 2.971 10 30 CFEERO COc1ccccc1OCc1ccc(C#CC[NH3+])cc1 ZINC000049610554 524685462 /nfs/dbraw/zinc/68/54/62/524685462.db2.gz HIPUZRIVLSYMPS-UHFFFAOYSA-N 1 0 267.328 2.584 10 30 CFEERO COc1ccc(OCc2ccc(C#CC[NH3+])cc2F)cc1 ZINC000049610571 524975442 /nfs/dbraw/zinc/97/54/42/524975442.db2.gz QTBGTVXKEDBKHB-UHFFFAOYSA-N 1 0 285.318 2.724 10 30 CFEERO C[C@@H]([NH3+])c1ccccc1OCc1cccnc1C#N ZINC000061656377 525031674 /nfs/dbraw/zinc/03/16/74/525031674.db2.gz ZBQKZRMZEJHVCK-LLVKDONJSA-N 1 0 253.305 2.552 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cccc(C#N)c1 ZINC000083704425 525080621 /nfs/dbraw/zinc/08/06/21/525080621.db2.gz LZXODYGWYBGBDR-RHSMWYFYSA-N 1 0 269.392 2.617 10 30 CFEERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000336236517 525092232 /nfs/dbraw/zinc/09/22/32/525092232.db2.gz WMFGXGNCOHOMCS-HZMBPMFUSA-N 1 0 264.756 2.557 10 30 CFEERO Cc1ccccc1C[N@@H+](C)Cc1ccccc1C#CCO ZINC000049614465 525128856 /nfs/dbraw/zinc/12/88/56/525128856.db2.gz BDMSXKLGODHCQE-UHFFFAOYSA-N 1 0 279.383 2.971 10 30 CFEERO Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C#N)c(C)n1 ZINC000156563096 525304435 /nfs/dbraw/zinc/30/44/35/525304435.db2.gz UZHNBQCOFLPTOJ-GOEBONIOSA-N 1 0 270.380 2.609 10 30 CFEERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(C#CCCO)c2)C1 ZINC000049616669 525385509 /nfs/dbraw/zinc/38/55/09/525385509.db2.gz QUBXRADUUFVKHK-IYBDPMFKSA-N 1 0 271.404 2.898 10 30 CFEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccccc1C#CCO ZINC000050566720 525642423 /nfs/dbraw/zinc/64/24/23/525642423.db2.gz XGYROYKSHSZOCO-LSDHHAIUSA-N 1 0 257.377 2.651 10 30 CFEERO Cc1c(C)n([C@@H](CC(C)C)C[NH+](C)C)c(N)c1C#N ZINC000049559795 525687602 /nfs/dbraw/zinc/68/76/02/525687602.db2.gz PWBJVNOHLYQLLH-ZDUSSCGKSA-N 1 0 262.401 2.708 10 30 CFEERO Cc1c(F)cc(C#N)cc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050945025 525794476 /nfs/dbraw/zinc/79/44/76/525794476.db2.gz ZTBUMYLKBHDNDF-UHFFFAOYSA-N 1 0 289.354 2.724 10 30 CFEERO Cc1ccc(C#N)cc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000050430439 525997333 /nfs/dbraw/zinc/99/73/33/525997333.db2.gz LPIVCHWXTPFTDP-CYBMUJFWSA-N 1 0 271.364 2.585 10 30 CFEERO Cc1cnc(SCc2ccc(C#CC[NH3+])cc2F)nc1 ZINC000049612963 526100730 /nfs/dbraw/zinc/10/07/30/526100730.db2.gz BBLSOXDMPMMMOI-UHFFFAOYSA-N 1 0 287.363 2.527 10 30 CFEERO Cc1ccc(C(=O)Nc2cc(C#CC[NH3+])ccc2Cl)o1 ZINC000061691959 526217624 /nfs/dbraw/zinc/21/76/24/526217624.db2.gz HUMOEWKFLZCBBT-UHFFFAOYSA-N 1 0 288.734 2.804 10 30 CFEERO N#Cc1cc(Cl)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000052859395 526554385 /nfs/dbraw/zinc/55/43/85/526554385.db2.gz MUDNWOXRJQSNSK-JTQLQIEISA-N 1 0 250.729 2.590 10 30 CFEERO N#Cc1ccc(Cl)cc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000062785797 526635845 /nfs/dbraw/zinc/63/58/45/526635845.db2.gz SJNJWJRDOOBWLX-YHWZYXNKSA-N 1 0 261.756 2.670 10 30 CFEERO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052759647 526725181 /nfs/dbraw/zinc/72/51/81/526725181.db2.gz WARWQQQNXQJYFD-MRXNPFEDSA-N 1 0 288.391 2.564 10 30 CFEERO Cc1occc1C[N@@H+](C)Cc1cccc(C#CCO)c1 ZINC000049614953 526823668 /nfs/dbraw/zinc/82/36/68/526823668.db2.gz KSOYEOLXJXRLES-UHFFFAOYSA-N 1 0 269.344 2.564 10 30 CFEERO Cc1nc(N(C)CC[C@H]([NH3+])C(C)C)c(Cl)cc1C#N ZINC000311991985 526950315 /nfs/dbraw/zinc/95/03/15/526950315.db2.gz SIPQPQLRMLYCGA-ZDUSSCGKSA-N 1 0 280.803 2.725 10 30 CFEERO Cc1[nH+]c2cc(N)ccc2n1Cc1ccc(C#N)cc1 ZINC000052853167 527123819 /nfs/dbraw/zinc/12/38/19/527123819.db2.gz YTXGYMVWZYEUCX-UHFFFAOYSA-N 1 0 262.316 2.847 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1COCc1ccccc1F ZINC000069285274 527148261 /nfs/dbraw/zinc/14/82/61/527148261.db2.gz CJOAKBMGSLULQA-UHFFFAOYSA-N 1 0 287.309 2.992 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1COCc1cccs1 ZINC000049611172 527148489 /nfs/dbraw/zinc/14/84/89/527148489.db2.gz SKTFDPOKDXXXLK-UHFFFAOYSA-N 1 0 275.348 2.914 10 30 CFEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)Cc2ccccc2)c1 ZINC000061692015 527149750 /nfs/dbraw/zinc/14/97/50/527149750.db2.gz AACCAYJFYOJRKN-UHFFFAOYSA-N 1 0 298.773 2.831 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2ccc(F)cc2)cc1 ZINC000049610515 527150468 /nfs/dbraw/zinc/15/04/68/527150468.db2.gz XIVQBSGTARALAK-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO [NH3+]CC#Cc1cccc(CN2Cc3ccccc3C2)c1 ZINC000050911916 527151573 /nfs/dbraw/zinc/15/15/73/527151573.db2.gz KWLPEUALIHIJNZ-UHFFFAOYSA-N 1 0 262.356 2.513 10 30 CFEERO OCC#Cc1cccc(C[N@@H+]2CCc3sccc3C2)c1 ZINC000049616273 527519349 /nfs/dbraw/zinc/51/93/49/527519349.db2.gz FWTJBOZHDRGROU-UHFFFAOYSA-N 1 0 283.396 2.650 10 30 CFEERO C=C(Cl)CN1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000178713559 618346021 /nfs/dbraw/zinc/34/60/21/618346021.db2.gz WHKHDUSHYXYBQR-WOPDTQHZSA-N 1 0 257.761 2.545 10 30 CFEERO C[C@@H](CCC[NH3+])Nc1nc2ccccc2cc1C#N ZINC000311449362 618712320 /nfs/dbraw/zinc/71/23/20/618712320.db2.gz RSOZJVMIYSOFTO-NSHDSACASA-N 1 0 254.337 2.646 10 30 CFEERO C[NH+]=C(NCc1oc2ccccc2c1C)N[C@@H]1C[C@H]1C ZINC000083205918 619077369 /nfs/dbraw/zinc/07/73/69/619077369.db2.gz FQKRZJBUPNLAGF-ZWNOBZJWSA-N 1 0 271.364 2.815 10 30 CFEERO C[C@@H]([NH3+])C[C@H](C)Nc1nc2ccccc2cc1C#N ZINC000320715919 620009007 /nfs/dbraw/zinc/00/90/07/620009007.db2.gz VCUZVEWVSONXHI-MNOVXSKESA-N 1 0 254.337 2.644 10 30 CFEERO C[C@@H]([NH3+])C1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000071386146 625511220 /nfs/dbraw/zinc/51/12/20/625511220.db2.gz OWSISJHHJRBUOW-GFCCVEGCSA-N 1 0 280.375 2.670 10 30 CFEERO C[NH2+]C[C@@H]1CCCN(c2nc3ccccc3cc2C#N)C1 ZINC000071386033 625510665 /nfs/dbraw/zinc/51/06/65/625510665.db2.gz CRKDYQXKHHCVFP-ZDUSSCGKSA-N 1 0 280.375 2.542 10 30 CFEERO C#CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1CCCC1 ZINC000163661753 622919557 /nfs/dbraw/zinc/91/95/57/622919557.db2.gz KPDMVMJJJUAGBJ-HNNXBMFYSA-N 1 0 293.455 2.550 10 30 CFEERO C#CCC[NH2+]Cc1cc(Br)c(C)s1 ZINC000227833630 623120581 /nfs/dbraw/zinc/12/05/81/623120581.db2.gz JSGNIKLPWRJBLF-UHFFFAOYSA-N 1 0 258.184 2.932 10 30 CFEERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000232501599 623419146 /nfs/dbraw/zinc/41/91/46/623419146.db2.gz FYXICAQKHTWKLD-MCIONIFRSA-N 1 0 293.411 2.668 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N1CCSC2(CCCCC2)C1 ZINC000153558007 624018293 /nfs/dbraw/zinc/01/82/93/624018293.db2.gz YODUZJQMCDQLAI-CHWSQXEVSA-N 1 0 281.469 2.722 10 30 CFEERO CCCC[C@H](C[NH3+])Nc1nc(Cl)c(C#N)s1 ZINC000232995720 624916980 /nfs/dbraw/zinc/91/69/80/624916980.db2.gz BDDQFYKOMAAYQX-SSDOTTSWSA-N 1 0 258.778 2.598 10 30 CFEERO N#Cc1cnc2ccccc2c1NCC[C@@H]1CC[NH2+]C1 ZINC000110798076 634809338 /nfs/dbraw/zinc/80/93/38/634809338.db2.gz ONFPERIFFWVSFE-LBPRGKRZSA-N 1 0 266.348 2.518 10 30 CFEERO CCCCCCCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000157941194 650220678 /nfs/dbraw/zinc/22/06/78/650220678.db2.gz PGNVQNJNDJONGJ-HZPDHXFCSA-N 1 0 270.461 2.734 10 30 CFEERO C=C[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000123209207 639739702 /nfs/dbraw/zinc/73/97/02/639739702.db2.gz XWFUBJLCSKPGIH-STQMWFEESA-N 1 0 268.401 2.798 10 30 CFEERO C[C@@H]1C[C@@H]1NC(NCCc1ccco1)=[NH+]C1CCCC1 ZINC000079261353 650578842 /nfs/dbraw/zinc/57/88/42/650578842.db2.gz RPWFLSHNEWZAGP-DOMZBBRYSA-N 1 0 275.396 2.708 10 30 CFEERO CCCCCCCCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000195137704 650739479 /nfs/dbraw/zinc/73/94/79/650739479.db2.gz ZMEGSMLPAWHEOB-AWEZNQCLSA-N 1 0 254.418 2.853 10 30 CFEERO C#CCOc1ccccc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000245546699 650822442 /nfs/dbraw/zinc/82/24/42/650822442.db2.gz VQJVFMRVYXOYKA-SJLPKXTDSA-N 1 0 285.387 2.842 10 30 CFEERO C#CCOc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000245803052 650836657 /nfs/dbraw/zinc/83/66/57/650836657.db2.gz YASQPCUVFCULFR-HKUYNNGSSA-N 1 0 299.414 2.826 10 30 CFEERO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)NC(=O)OC(C)(C)C ZINC000249045124 650952831 /nfs/dbraw/zinc/95/28/31/650952831.db2.gz VUONMDIHXHSKAW-MGPQQGTHSA-N 1 0 295.427 2.962 10 30 CFEERO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000216224589 646537972 /nfs/dbraw/zinc/53/79/72/646537972.db2.gz JJPGLUROOURJPE-UWVGGRQHSA-N 1 0 283.297 2.751 10 30 CFEERO C#CCSCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000222108420 647243277 /nfs/dbraw/zinc/24/32/77/647243277.db2.gz BUVLINORQLJPOB-NSHDSACASA-N 1 0 265.426 2.537 10 30 CFEERO CC[N+](C)(CC)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005651697 717100385 /nfs/dbraw/zinc/10/03/85/717100385.db2.gz FTYOROVPIJNTRP-UHFFFAOYSA-O 1 0 279.448 2.558 10 30 CFEERO C=CC[N+](C)(C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000033882777 717122904 /nfs/dbraw/zinc/12/29/04/717122904.db2.gz OMGXDQFLMUCCCP-QGZVFWFLSA-N 1 0 286.395 2.842 10 30 CFEERO C[C@@H]1CCC[C@@H](NC(=O)C[N+](C)(C)C2CCCC2)[C@H]1C ZINC000249237651 717164820 /nfs/dbraw/zinc/16/48/20/717164820.db2.gz NQPZKUIVZLKPNB-IJEWVQPXSA-O 1 0 281.464 2.946 10 30 CFEERO N#Cc1ccc(NC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000124715874 187150165 /nfs/dbraw/zinc/15/01/65/187150165.db2.gz UDTWSTVREVFWKB-LLVKDONJSA-N 1 0 294.196 2.732 10 30 CFEERO C=CCCSCC[NH2+]Cc1csc(COC)n1 ZINC000594960438 349530647 /nfs/dbraw/zinc/53/06/47/349530647.db2.gz QIIXHBFNFLPWOA-UHFFFAOYSA-N 1 0 272.439 2.688 10 30 CFEERO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000595482296 349639399 /nfs/dbraw/zinc/63/93/99/349639399.db2.gz MWJFYEUHOWSXMZ-RRFJBIMHSA-N 1 0 250.386 2.864 10 30 CFEERO CC(C)[C@H]([NH3+])CCNc1nc(C(F)(F)F)ccc1C#N ZINC000596030165 349778723 /nfs/dbraw/zinc/77/87/23/349778723.db2.gz MAHJFRCXHBTMEG-SNVBAGLBSA-N 1 0 286.301 2.757 10 30 CFEERO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000037163700 346327762 /nfs/dbraw/zinc/32/77/62/346327762.db2.gz UNKSHHULRLBENI-GJZGRUSLSA-N 1 0 261.365 2.645 10 30 CFEERO C[NH+](C)CCNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000090998047 347564127 /nfs/dbraw/zinc/56/41/27/347564127.db2.gz MGCAZTYCYRCEAM-UHFFFAOYSA-N 1 0 274.755 2.733 10 30 CFEERO CC[C@H]1CN(c2cc(Cl)ccc2C#N)CC[C@@H]1[NH3+] ZINC000123028367 347817527 /nfs/dbraw/zinc/81/75/27/347817527.db2.gz QBKSSFRHTWYAPO-GWCFXTLKSA-N 1 0 263.772 2.775 10 30 CFEERO CCc1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000123182651 347818456 /nfs/dbraw/zinc/81/84/56/347818456.db2.gz MGJRUMXDNBWJKN-FZKQIMNGSA-N 1 0 299.418 2.708 10 30 CFEERO C=C[C@@H]([NH2+]C)c1csc(I)c1 ZINC000130531233 347871693 /nfs/dbraw/zinc/87/16/93/347871693.db2.gz YYASAAXUDGWIGH-SSDOTTSWSA-N 1 0 279.146 2.799 10 30 CFEERO CC(C)CN1CCC[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000130784568 347874068 /nfs/dbraw/zinc/87/40/68/347874068.db2.gz LWSKAYCFRYXVJX-CQSZACIVSA-N 1 0 277.437 2.830 10 30 CFEERO C=C(C)[C@H]([NH3+])c1ccc(I)cc1 ZINC000131228660 347877169 /nfs/dbraw/zinc/87/71/69/347877169.db2.gz UXGWMFLUEWWVIH-JTQLQIEISA-N 1 0 273.117 2.867 10 30 CFEERO CC[N@@H+]1CCC[C@](C#N)(NCc2ccccc2)CC1 ZINC000086849214 179357763 /nfs/dbraw/zinc/35/77/63/179357763.db2.gz NCHVGKYUUHNSIT-INIZCTEOSA-N 1 0 257.381 2.544 10 30 CFEERO CC[N@@H+]1CCC[C@@H](Nc2ccc(F)c(C#N)c2)CC1 ZINC000086844062 179354435 /nfs/dbraw/zinc/35/44/35/179354435.db2.gz NBHIZKQRWIUBFU-CYBMUJFWSA-N 1 0 261.344 2.984 10 30 CFEERO CC[N@@H+]1CCC[C@@](C#N)(Nc2cccc(OC)c2)CC1 ZINC000086849129 179358317 /nfs/dbraw/zinc/35/83/17/179358317.db2.gz QOUJOFYTVYEZGY-MRXNPFEDSA-N 1 0 273.380 2.875 10 30 CFEERO CC[C@H]1CN(c2c(C#N)cnc3ccccc32)CC[C@H]1[NH3+] ZINC000251915165 348294942 /nfs/dbraw/zinc/29/49/42/348294942.db2.gz YAJATSADHCUPAG-SWLSCSKDSA-N 1 0 280.375 2.670 10 30 CFEERO CCOC(=O)C[N@+]1(C)CCc2[nH]c3ccc(C)cc3c2C1 ZINC000253495623 348300890 /nfs/dbraw/zinc/30/08/90/348300890.db2.gz KVCCDWQRELMUKV-LJQANCHMSA-N 1 0 287.383 2.542 10 30 CFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000313292696 348422780 /nfs/dbraw/zinc/42/27/80/348422780.db2.gz IFXNWSRHPYFOHO-LSDHHAIUSA-N 1 0 250.386 2.865 10 30 CFEERO C=CC[C@H](Cc1cc(OC)c(OC)c(OC)c1)[NH+](C)C ZINC000584595021 348683154 /nfs/dbraw/zinc/68/31/54/348683154.db2.gz SKJNMIBNSQEAPH-CYBMUJFWSA-N 1 0 279.380 2.761 10 30 CFEERO C#C[C@@]1(O)CC[C@@](c2ccc(C)cc2)([NH+](C)C)CC1 ZINC000584601431 348685680 /nfs/dbraw/zinc/68/56/80/348685680.db2.gz PGQUSPINXHINCA-QAQDUYKDSA-N 1 0 257.377 2.690 10 30 CFEERO CC(C)(C)c1ccc(OCC[NH2+]CCS)cc1 ZINC000584602143 348686238 /nfs/dbraw/zinc/68/62/38/348686238.db2.gz YPQAMZGWQVFOIH-UHFFFAOYSA-N 1 0 253.411 2.882 10 30 CFEERO C=C[C@H](CCOCC)[NH2+]CCOc1ccccc1OC ZINC000584620292 348692107 /nfs/dbraw/zinc/69/21/07/348692107.db2.gz ASPPZRKYARCOMI-CQSZACIVSA-N 1 0 279.380 2.645 10 30 CFEERO N#CCC[C@](C#N)(c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000584649379 348702063 /nfs/dbraw/zinc/70/20/63/348702063.db2.gz XVNCPPYRSJRUQI-INIZCTEOSA-N 1 0 271.339 2.890 10 30 CFEERO C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1Cl ZINC000594427654 349418505 /nfs/dbraw/zinc/41/85/05/349418505.db2.gz VUORIHOBIQQCCP-RISCZKNCSA-N 1 0 293.798 2.928 10 30 CFEERO N#Cc1cc(Cl)ccc1N1CCCCC[C@H]([NH3+])C1 ZINC000600959215 350637380 /nfs/dbraw/zinc/63/73/80/350637380.db2.gz UCDNTNNTLOWMFH-ZDUSSCGKSA-N 1 0 263.772 2.919 10 30 CFEERO N#Cc1ccc(NCC[NH2+]C2CCCCCC2)cn1 ZINC000129912506 187460121 /nfs/dbraw/zinc/46/01/21/187460121.db2.gz SJRXCXGQKKHZTK-UHFFFAOYSA-N 1 0 258.369 2.678 10 30 CFEERO C[C@@H](Nc1c(F)cc(C#N)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000133670138 187699567 /nfs/dbraw/zinc/69/95/67/187699567.db2.gz UHJLBDNDNPYHLR-MWLCHTKSSA-N 1 0 265.307 2.636 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261719633 283092813 /nfs/dbraw/zinc/09/28/13/283092813.db2.gz PYDVUZGJVMCDHA-TVYUQYBPSA-N 1 0 295.308 2.751 10 30 CFEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@H](C[NH3+])C1CCCCC1 ZINC000155831682 283112665 /nfs/dbraw/zinc/11/26/65/283112665.db2.gz QOGVKFVVTTWFQZ-OAHLLOKOSA-N 1 0 288.351 2.786 10 30 CFEERO N#Cc1ccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C(F)(F)F ZINC000261743224 283171610 /nfs/dbraw/zinc/17/16/10/283171610.db2.gz SHTSIJMAPJFUEX-VHRBIJSZSA-N 1 0 295.308 2.751 10 30 CFEERO C[C@H]1C[C@H](C[NH3+])CN1c1ccc(C(F)(F)F)cc1C#N ZINC000216234426 291122073 /nfs/dbraw/zinc/12/20/73/291122073.db2.gz CEWHAMWSMDJPOE-VHSXEESVSA-N 1 0 283.297 2.751 10 30 CFEERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000178293032 189104184 /nfs/dbraw/zinc/10/41/84/189104184.db2.gz CNNODTQEYPRGAR-QGZVFWFLSA-N 1 0 280.375 2.728 10 30 CFEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000178287736 189102902 /nfs/dbraw/zinc/10/29/02/189102902.db2.gz AJVAYWJDFFLUGP-INIZCTEOSA-N 1 0 298.365 2.867 10 30 CFEERO Cc1cc(NCC[N@H+]2CCCC[C@H]2C)c(C#N)c(C)n1 ZINC000301797338 201204718 /nfs/dbraw/zinc/20/47/18/201204718.db2.gz UIXSJMGRGZOUTE-CYBMUJFWSA-N 1 0 272.396 2.856 10 30 CFEERO Cc1ccc(C(=[NH2+])NOC(=O)c2ccnc(Cl)c2)cc1 ZINC000004280901 371847788 /nfs/dbraw/zinc/84/77/88/371847788.db2.gz DUQNKZIBPZCDAF-UHFFFAOYSA-N 1 0 289.722 2.521 10 30 CFEERO CC[N@H+](CCCC#N)[C@H]1CCc2c(O)cccc2C1 ZINC000027998022 372354856 /nfs/dbraw/zinc/35/48/56/372354856.db2.gz NRHGSOQJUHWVLC-AWEZNQCLSA-N 1 0 258.365 2.875 10 30 CFEERO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000042251455 372895596 /nfs/dbraw/zinc/89/55/96/372895596.db2.gz LJDVXUJCMLZPNY-DLBZAZTESA-N 1 0 286.375 2.580 10 30 CFEERO C=CC[N@H+](Cc1cccs1)C[C@H](O)COC(C)(C)C ZINC000053420104 373475830 /nfs/dbraw/zinc/47/58/30/373475830.db2.gz IGOIARDJBOIEPC-ZDUSSCGKSA-N 1 0 283.437 2.912 10 30 CFEERO C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1cccc(C#N)c1 ZINC000252881728 220229517 /nfs/dbraw/zinc/22/95/17/220229517.db2.gz TWSAYJNZBUSJNV-VBNZEHGJSA-N 1 0 258.365 2.902 10 30 CFEERO C[NH+](C)Cc1ccc(Oc2cccc(C#N)n2)cc1 ZINC000067756020 373999649 /nfs/dbraw/zinc/99/96/49/373999649.db2.gz QMAYIMXEYFVQJP-UHFFFAOYSA-N 1 0 253.305 2.807 10 30 CFEERO CN(CC(C)(C)C[NH3+])c1c(C#N)cnc2ccccc21 ZINC000093874772 375327856 /nfs/dbraw/zinc/32/78/56/375327856.db2.gz GOFSSJLIOYCIPR-UHFFFAOYSA-N 1 0 268.364 2.528 10 30 CFEERO C#Cc1cccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000119211426 376373669 /nfs/dbraw/zinc/37/36/69/376373669.db2.gz RFPWOLGXJRGUTI-BBRMVZONSA-N 1 0 285.391 2.518 10 30 CFEERO C[C@]1(CNc2c(C#N)cnc3ccccc32)CCC[NH2+]C1 ZINC000129298582 377410193 /nfs/dbraw/zinc/41/01/93/377410193.db2.gz BCAFSTVSLXDBJA-KRWDZBQOSA-N 1 0 280.375 2.908 10 30 CFEERO N#Cc1cc(F)c(N[C@H]2CCCC[C@@H]2C[NH3+])c(F)c1 ZINC000133699144 377951029 /nfs/dbraw/zinc/95/10/29/377951029.db2.gz LVINBNIPILOJIU-MFKMUULPSA-N 1 0 265.307 2.766 10 30 CFEERO C=CCCCN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000135094788 378081424 /nfs/dbraw/zinc/08/14/24/378081424.db2.gz ZOIWFVXDTYBBQH-MRXNPFEDSA-N 1 0 274.408 2.584 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)CC#Cc1ccc(F)cc1 ZINC000154233999 378550936 /nfs/dbraw/zinc/55/09/36/378550936.db2.gz VQEZGKRMSAPTAW-KRWDZBQOSA-N 1 0 274.383 2.593 10 30 CFEERO N#Cc1ccc(N2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000335304239 379048728 /nfs/dbraw/zinc/04/87/28/379048728.db2.gz ZOYULNLSIAQPSF-UHFFFAOYSA-N 1 0 275.783 2.792 10 30 CFEERO N#Cc1cc(Br)ccc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000335583146 379555233 /nfs/dbraw/zinc/55/52/33/379555233.db2.gz VPAQWJNZCKFHKJ-BXKDBHETSA-N 1 0 294.196 2.860 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(F)cc1C#N ZINC000175360569 380050449 /nfs/dbraw/zinc/05/04/49/380050449.db2.gz IAMMNKOLYWHZKC-INIZCTEOSA-N 1 0 275.371 2.613 10 30 CFEERO CC[C@H](CC#N)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400367218 380856924 /nfs/dbraw/zinc/85/69/24/380856924.db2.gz SBYUIAGAEWKNPC-MGPQQGTHSA-N 1 0 295.427 2.914 10 30 CFEERO N#Cc1ccc(N[C@H](CC[NH3+])C(F)F)cc1C(F)(F)F ZINC000383255608 382541647 /nfs/dbraw/zinc/54/16/47/382541647.db2.gz FBFJAWOJAUGIFM-SNVBAGLBSA-N 1 0 293.239 2.971 10 30 CFEERO CN(c1ccc(C#N)c(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000385096056 382565492 /nfs/dbraw/zinc/56/54/92/382565492.db2.gz YVNVJRKYPMQMKA-UHFFFAOYSA-N 1 0 269.270 2.503 10 30 CFEERO C=CCCCCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000193349246 382718968 /nfs/dbraw/zinc/71/89/68/382718968.db2.gz DXLLPPXWOYRLBC-OAHLLOKOSA-N 1 0 262.401 2.737 10 30 CFEERO C#CC[C@@H]([NH3+])c1cccc(C)c1I ZINC000235809377 382888757 /nfs/dbraw/zinc/88/87/57/382888757.db2.gz PHUYVPGEFGUIFP-SNVBAGLBSA-N 1 0 285.128 2.623 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245876142 383043265 /nfs/dbraw/zinc/04/32/65/383043265.db2.gz KFRQRMGJHDPXCQ-GJZGRUSLSA-N 1 0 279.428 2.611 10 30 CFEERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000246296528 383071552 /nfs/dbraw/zinc/07/15/52/383071552.db2.gz VAEJHUZYEVNADB-JKIFEVAISA-N 1 0 271.408 2.938 10 30 CFEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Cl)cc1C#N ZINC000248585946 383265719 /nfs/dbraw/zinc/26/57/19/383265719.db2.gz XSGOQECZFXMTRB-LRDDRELGSA-N 1 0 289.810 2.880 10 30 CFEERO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)cc1Cl ZINC000252667205 383425948 /nfs/dbraw/zinc/42/59/48/383425948.db2.gz GWIVFVQDVOFQDC-AWEZNQCLSA-N 1 0 275.783 2.886 10 30 CFEERO C[NH+]=C(NCc1nccc2ccccc21)NC1CCCC1 ZINC000263275768 383657572 /nfs/dbraw/zinc/65/75/72/383657572.db2.gz YJHCZBVHZAKUST-UHFFFAOYSA-N 1 0 282.391 2.842 10 30 CFEERO C[C@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000251657227 131130804 /nfs/dbraw/zinc/13/08/04/131130804.db2.gz GSAWLCUCWIRZJU-IINYFYTJSA-N 1 0 263.772 2.598 10 30 CFEERO C[NH+](C)C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000007816631 170304010 /nfs/dbraw/zinc/30/40/10/170304010.db2.gz UFZUDRRTOQXRMS-QGZVFWFLSA-N 1 0 293.370 2.591 10 30 CFEERO C[NH+](C)CCCN[C@@H](C#N)c1c(F)cccc1Cl ZINC000020175260 171041633 /nfs/dbraw/zinc/04/16/33/171041633.db2.gz HBTWODFKADYVGA-LBPRGKRZSA-N 1 0 269.751 2.585 10 30 CFEERO C[NH+](C)CCN[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000020175378 171041686 /nfs/dbraw/zinc/04/16/86/171041686.db2.gz YRJNATPDCOWBGV-HNNXBMFYSA-N 1 0 259.397 2.700 10 30 CFEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000661119243 413770613 /nfs/dbraw/zinc/77/06/13/413770613.db2.gz QIDOKHUYLUGQPT-RBSFLKMASA-N 1 0 269.429 2.887 10 30 CFEERO C=C(Cl)CNCCC[N@@H+](C)Cc1ccccc1 ZINC000037489043 173230652 /nfs/dbraw/zinc/23/06/52/173230652.db2.gz YFDVININMRKYBQ-UHFFFAOYSA-N 1 0 252.789 2.851 10 30 CFEERO [NH3+]CC#Cc1cccc(OCc2ccccc2F)c1 ZINC000037547973 173264359 /nfs/dbraw/zinc/26/43/59/173264359.db2.gz XLTNMTCHCPTTFZ-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000659330203 414499222 /nfs/dbraw/zinc/49/92/22/414499222.db2.gz VQHDXNBBDWOHSS-KBXIAJHMSA-N 1 0 264.413 2.755 10 30 CFEERO C=CCC1(NC(=O)CC[C@H]2CCC[NH2+]2)CCCC1 ZINC000662888702 414628103 /nfs/dbraw/zinc/62/81/03/414628103.db2.gz LRRGOIVZTDHZGT-CYBMUJFWSA-N 1 0 250.386 2.524 10 30 CFEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000662843996 414619358 /nfs/dbraw/zinc/61/93/58/414619358.db2.gz VVLKBVDTVVAVDD-URGYJCLVSA-N 1 0 264.413 2.755 10 30 CFEERO N#Cc1ccc(C[N@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032647 174028712 /nfs/dbraw/zinc/02/87/12/174028712.db2.gz DDCXITNWXLHHTG-UHFFFAOYSA-N 1 0 263.344 2.699 10 30 CFEERO CC(C)C[N@H+](Cc1cccc(C#CCO)c1)C1CC1 ZINC000042559396 174794568 /nfs/dbraw/zinc/79/45/68/174794568.db2.gz WAFJMUOZTMMXTM-UHFFFAOYSA-N 1 0 257.377 2.651 10 30 CFEERO CC(C)C[N@H+](CCOc1ccc(C#CCO)cc1)C1CC1 ZINC000042559377 174794714 /nfs/dbraw/zinc/79/47/14/174794714.db2.gz FIJIFMHMJRSVGC-UHFFFAOYSA-N 1 0 287.403 2.530 10 30 CFEERO COc1ccc([C@H](C[NH3+])Oc2cccc(F)c2C#N)cc1 ZINC000042963978 174928250 /nfs/dbraw/zinc/92/82/50/174928250.db2.gz AYDVAXZWFIPVOV-INIZCTEOSA-N 1 0 286.306 2.785 10 30 CFEERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CCC#N ZINC000042975140 174938537 /nfs/dbraw/zinc/93/85/37/174938537.db2.gz ANEVRWXSHHYSLP-KGLIPLIRSA-N 1 0 265.788 2.964 10 30 CFEERO C[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)c1ccco1 ZINC000043337816 175012654 /nfs/dbraw/zinc/01/26/54/175012654.db2.gz UTFZPYKIGDPUCY-YMTOWFKASA-N 1 0 260.268 2.758 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1cccc(C#N)c1)c1cccnc1 ZINC000043350415 175019919 /nfs/dbraw/zinc/01/99/19/175019919.db2.gz LZGUWEZTQPFFRO-JKSUJKDBSA-N 1 0 267.332 2.811 10 30 CFEERO COc1cc(C#N)ccc1O[C@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043365723 175027119 /nfs/dbraw/zinc/02/71/19/175027119.db2.gz LLMWKDUTAIEHJS-BZNIZROVSA-N 1 0 286.331 2.936 10 30 CFEERO C=CCNC(=O)COc1ccc(C[NH2+]C(C)C)cc1Cl ZINC000043479636 175055284 /nfs/dbraw/zinc/05/52/84/175055284.db2.gz LDJRHKRRFSNOPN-UHFFFAOYSA-N 1 0 296.798 2.519 10 30 CFEERO COc1cc(C[C@@H](C)[NH3+])cc(Cl)c1O[C@@H](C)C#N ZINC000043518530 175062139 /nfs/dbraw/zinc/06/21/39/175062139.db2.gz CZFYAIGHGMSTQM-BDAKNGLRSA-N 1 0 268.744 2.529 10 30 CFEERO CCC[NH2+]Cc1ccc(OC)cc1O[C@@H](C#N)CC ZINC000043538999 175063734 /nfs/dbraw/zinc/06/37/34/175063734.db2.gz VONDYBOYSAREPG-CYBMUJFWSA-N 1 0 262.353 2.876 10 30 CFEERO CCOc1cccc(C[C@H](C)[NH3+])c1O[C@H](C#N)CC ZINC000043543634 175064253 /nfs/dbraw/zinc/06/42/53/175064253.db2.gz ITEDUFKENIHLPI-AAEUAGOBSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@@H](C#N)Oc1ccc(Cl)cc1C[C@@H](C)[NH3+] ZINC000043543576 175064325 /nfs/dbraw/zinc/06/43/25/175064325.db2.gz QHXRWQNBBUDJAF-SKDRFNHKSA-N 1 0 252.745 2.911 10 30 CFEERO C[C@H]1CCC[C@H](C)[NH+]1Cc1sccc1C#CCO ZINC000043679268 175089439 /nfs/dbraw/zinc/08/94/39/175089439.db2.gz FYSVMFLBFBKYGQ-STQMWFEESA-N 1 0 263.406 2.855 10 30 CFEERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1sccc1C#CCO ZINC000043679267 175089456 /nfs/dbraw/zinc/08/94/56/175089456.db2.gz FYSVMFLBFBKYGQ-BETUJISGSA-N 1 0 263.406 2.855 10 30 CFEERO C[N@H+](Cc1sccc1C#CCO)Cc1cccc(F)c1 ZINC000043679322 175089561 /nfs/dbraw/zinc/08/95/61/175089561.db2.gz RENGSEUTWTXPEP-UHFFFAOYSA-N 1 0 289.375 2.863 10 30 CFEERO CC[C@H]1CCC[N@@H+]1Cc1sccc1C#CCCO ZINC000043678680 175089584 /nfs/dbraw/zinc/08/95/84/175089584.db2.gz SASGEQQJNTUYQZ-AWEZNQCLSA-N 1 0 263.406 2.856 10 30 CFEERO C[C@H](C1CC1)[N@H+](C)Cc1ccc(C#CCCO)s1 ZINC000043679712 175090621 /nfs/dbraw/zinc/09/06/21/175090621.db2.gz AJIGQZKCTRNEGB-GFCCVEGCSA-N 1 0 263.406 2.712 10 30 CFEERO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C#CCCO)s1 ZINC000043679723 175090626 /nfs/dbraw/zinc/09/06/26/175090626.db2.gz IXZVRCVIMYEOBQ-CYBMUJFWSA-N 1 0 265.422 2.958 10 30 CFEERO CC(C)C[N@H+](Cc1sccc1C#CCO)C(C)C ZINC000043681991 175090985 /nfs/dbraw/zinc/09/09/85/175090985.db2.gz IRRUDKOFIXZYCA-UHFFFAOYSA-N 1 0 265.422 2.958 10 30 CFEERO Cc1occc1CN(C)Cc1sccc1C#CC[NH3+] ZINC000043684031 175092359 /nfs/dbraw/zinc/09/23/59/175092359.db2.gz AUOSUGAHRKWFRY-UHFFFAOYSA-N 1 0 274.389 2.592 10 30 CFEERO [NH3+]CC#Cc1ccc(COCc2cccs2)s1 ZINC000043685415 175093752 /nfs/dbraw/zinc/09/37/52/175093752.db2.gz YJBVFMIHXVZARK-UHFFFAOYSA-N 1 0 263.387 2.837 10 30 CFEERO COc1ccc(OCc2cc(C#CC[NH3+])cs2)cc1 ZINC000043689268 175096322 /nfs/dbraw/zinc/09/63/22/175096322.db2.gz PHCAXKQDANSNQD-UHFFFAOYSA-N 1 0 273.357 2.646 10 30 CFEERO CCC(CC)[N@H+](CCOC)Cc1cc(C#CCO)cs1 ZINC000043698750 175096583 /nfs/dbraw/zinc/09/65/83/175096583.db2.gz RZDKNTAACVFMFT-UHFFFAOYSA-N 1 0 295.448 2.729 10 30 CFEERO CC(C)C[N@H+](Cc1cc(C#CCO)cs1)C(C)C ZINC000043698728 175096797 /nfs/dbraw/zinc/09/67/97/175096797.db2.gz CEAPTDIFQWZXBW-UHFFFAOYSA-N 1 0 265.422 2.958 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1NCC1CC[NH2+]CC1 ZINC000044509269 175187152 /nfs/dbraw/zinc/18/71/52/175187152.db2.gz MEMYYJCCNSXNFM-UHFFFAOYSA-N 1 0 283.297 2.989 10 30 CFEERO C=CCOc1ccc(C[NH2+]C[C@H]2CCCCN2C)cc1 ZINC000044561577 175204955 /nfs/dbraw/zinc/20/49/55/175204955.db2.gz VJNYMPCPJVIVPZ-MRXNPFEDSA-N 1 0 274.408 2.825 10 30 CFEERO CC(C)[C@@H]([NH3+])CNc1ccc(C(F)(F)F)cc1C#N ZINC000070447855 175939696 /nfs/dbraw/zinc/93/96/96/175939696.db2.gz AECYLHSRMWBQES-NSHDSACASA-N 1 0 271.286 2.972 10 30 CFEERO CCC(CC)[N@H+](CCO)Cc1ccc(F)cc1C#N ZINC000071264612 176098244 /nfs/dbraw/zinc/09/82/44/176098244.db2.gz RSUGSGSMQIJEKH-UHFFFAOYSA-N 1 0 264.344 2.680 10 30 CFEERO C[NH+](C)CCCN1C(=O)c2c(ccc3ccccc23)[C@@H]1C#N ZINC000071679911 176244694 /nfs/dbraw/zinc/24/46/94/176244694.db2.gz GVEWFYJSPUYRTO-INIZCTEOSA-N 1 0 293.370 2.812 10 30 CFEERO C[NH+](C)CCN1C(=O)c2c(ccc(Cl)c2Cl)C1C#N ZINC000071681852 176245700 /nfs/dbraw/zinc/24/57/00/176245700.db2.gz VBRUOFXXESLUOE-JTQLQIEISA-N 1 0 298.173 2.575 10 30 CFEERO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000077465860 177271541 /nfs/dbraw/zinc/27/15/41/177271541.db2.gz YZOFDGZUCDXYQQ-WMZOPIPTSA-N 1 0 287.403 2.729 10 30 CFEERO Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000330010869 228015492 /nfs/dbraw/zinc/01/54/92/228015492.db2.gz IJJBTZHPYYWMJF-OLZOCXBDSA-N 1 0 291.395 2.723 10 30 CFEERO C=C(C)C[NH+]1CCC(N(CC)CC(=O)OC(C)(C)C)CC1 ZINC000190356890 260286598 /nfs/dbraw/zinc/28/65/98/260286598.db2.gz PNILQJRKMBONDP-UHFFFAOYSA-N 1 0 296.455 2.691 10 30 CFEERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000399214536 267223667 /nfs/dbraw/zinc/22/36/67/267223667.db2.gz SQSQACZCHNGHJQ-GWCFXTLKSA-N 1 0 264.756 2.557 10 30 CFEERO C[NH+](C)[C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000105569319 273808520 /nfs/dbraw/zinc/80/85/20/273808520.db2.gz ONNZNKDSCUEIOQ-GFCCVEGCSA-N 1 0 283.297 2.717 10 30 CFEERO C[C@H]1CCN(c2c(C#N)cnc3ccccc32)C[C@H]1C[NH3+] ZINC000253201031 274562750 /nfs/dbraw/zinc/56/27/50/274562750.db2.gz XQZXNUSPTQTXOV-GXTWGEPZSA-N 1 0 280.375 2.528 10 30 CFEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(C#N)cc1Br ZINC000229608043 274630854 /nfs/dbraw/zinc/63/08/54/274630854.db2.gz AMTGWBBLYMFJOU-SKDRFNHKSA-N 1 0 294.196 2.873 10 30 CFEERO N#Cc1cc(N[C@H]2CCC[C@@H]2C[NH3+])nc2ccccc12 ZINC000089092315 274921013 /nfs/dbraw/zinc/92/10/13/274921013.db2.gz QVGVNDRPNDMZMG-RISCZKNCSA-N 1 0 266.348 2.646 10 30 CFEERO CC[NH2+]CC1CCN(c2ccc(F)cc2C#N)CC1 ZINC000131593173 276264530 /nfs/dbraw/zinc/26/45/30/276264530.db2.gz HSGVEZBYDLSSLI-UHFFFAOYSA-N 1 0 261.344 2.523 10 30 CFEERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000022010709 278844184 /nfs/dbraw/zinc/84/41/84/278844184.db2.gz XSUSILNKXHRYEW-VHSXEESVSA-N 1 0 283.297 2.764 10 30 CFEERO C[C@H]([NH3+])C1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000110651400 279394201 /nfs/dbraw/zinc/39/42/01/279394201.db2.gz LYEZNYZUMRHNHD-JTQLQIEISA-N 1 0 263.772 2.775 10 30 CFEERO C[C@H]([NH3+])[C@@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000070174899 279406671 /nfs/dbraw/zinc/40/66/71/279406671.db2.gz CDIRPLOLIDLPOC-QWHCGFSZSA-N 1 0 280.375 2.670 10 30 CFEERO CC[NH2+][C@H](C)CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000387469467 324492087 /nfs/dbraw/zinc/49/20/87/324492087.db2.gz SBKFVDOHXBBBSM-SECBINFHSA-N 1 0 271.286 2.987 10 30 CFEERO C=CCCOCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000090883470 327101483 /nfs/dbraw/zinc/10/14/83/327101483.db2.gz YMFXOQVMKYLYPX-LBPRGKRZSA-N 1 0 265.401 2.763 10 30 CFEERO C=CCCOCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000090883469 327101639 /nfs/dbraw/zinc/10/16/39/327101639.db2.gz YMFXOQVMKYLYPX-GFCCVEGCSA-N 1 0 265.401 2.763 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000175566267 329169892 /nfs/dbraw/zinc/16/98/92/329169892.db2.gz AZDOTTZBZDXJRI-JGGQBBKZSA-N 1 0 289.398 2.674 10 30 CFEERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185820437 329329898 /nfs/dbraw/zinc/32/98/98/329329898.db2.gz NASVCNGCKHEXHE-RRFJBIMHSA-N 1 0 251.418 2.635 10 30 CFEERO CC[NH+]=C(NC[C@]1(C)CCOC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261766295 329982299 /nfs/dbraw/zinc/98/22/99/329982299.db2.gz OUUMKQNBVVOIBZ-ZOBUZTSGSA-N 1 0 293.455 2.501 10 30 CFEERO Cc1nc(-c2ccccc2)sc1CNC(=[NH2+])NC1CC1 ZINC000262150107 330000741 /nfs/dbraw/zinc/00/07/41/330000741.db2.gz RBVDHZOHGXOPQO-UHFFFAOYSA-N 1 0 286.404 2.685 10 30 CFEERO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000262301895 330005134 /nfs/dbraw/zinc/00/51/34/330005134.db2.gz ZWYKTWCOCQUWAE-AUTRQRHGSA-N 1 0 267.323 2.524 10 30 CFEERO CN(C)C(=[NH2+])NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000262373706 330011302 /nfs/dbraw/zinc/01/13/02/330011302.db2.gz MMGHFIULXQQXON-UHFFFAOYSA-N 1 0 299.205 2.894 10 30 CFEERO C[NH+]=C(NC[C@@H]1CC1(C)C)N[C@@H](C)c1ccc(C)o1 ZINC000262469561 330015430 /nfs/dbraw/zinc/01/54/30/330015430.db2.gz YUBFUWRAUQAPNX-RYUDHWBXSA-N 1 0 263.385 2.860 10 30 CFEERO C[NH+]=C(N[C@H]1CC1(C)C)N(C)Cc1cccc(OC)c1 ZINC000262530421 330019724 /nfs/dbraw/zinc/01/97/24/330019724.db2.gz IBICOPDHVPJRTL-AWEZNQCLSA-N 1 0 275.396 2.501 10 30 CFEERO C[NH+]=C(N[C@H](C)c1ccccc1OC)N[C@@H]1CC1(C)C ZINC000262603156 330022618 /nfs/dbraw/zinc/02/26/18/330022618.db2.gz ZHPBRHSXTKHAJG-BXUZGUMPSA-N 1 0 275.396 2.720 10 30 CFEERO C[C@@H]1C[NH+]=C(NC2CC(c3ccc(F)c(Cl)c3)C2)N1 ZINC000262676710 330026313 /nfs/dbraw/zinc/02/63/13/330026313.db2.gz UGOYUISDWNMOEN-MFAVDMRSSA-N 1 0 281.762 2.662 10 30 CFEERO Cc1ccc(C[NH+]=C(N(C)C)N(C)C)c(OC(C)C)c1 ZINC000262768514 330030119 /nfs/dbraw/zinc/03/01/19/330030119.db2.gz HYXGCDAITZLCRP-UHFFFAOYSA-N 1 0 277.412 2.761 10 30 CFEERO C[NH+]=C(NC1CCC1)N1CC=C(c2ccccc2)CC1 ZINC000262820748 330033876 /nfs/dbraw/zinc/03/38/76/330033876.db2.gz YEOGSSLHOSSYIE-UHFFFAOYSA-N 1 0 269.392 2.904 10 30 CFEERO Clc1cccc(C#CCN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000125299986 330338724 /nfs/dbraw/zinc/33/87/24/330338724.db2.gz XBGJGYQRAXBLTB-QGZVFWFLSA-N 1 0 288.822 2.862 10 30 CFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000217456599 333121028 /nfs/dbraw/zinc/12/10/28/333121028.db2.gz MXZGQQSCKOXBAJ-BBWFWOEESA-N 1 0 269.392 2.543 10 30 CFEERO C=CCCCCC[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000193336445 333248412 /nfs/dbraw/zinc/24/84/12/333248412.db2.gz UAVPLVZZJTYQFZ-INIZCTEOSA-N 1 0 268.445 2.775 10 30 CFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000250646463 334347686 /nfs/dbraw/zinc/34/76/86/334347686.db2.gz LXRNXOKAPUWRQT-OKZBNKHCSA-N 1 0 283.419 2.933 10 30 CFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCCOCc1ccccc1 ZINC000342781564 335186635 /nfs/dbraw/zinc/18/66/35/335186635.db2.gz MKKHCPDOLMWOMR-HOTGVXAUSA-N 1 0 258.365 2.875 10 30 CFEERO CCC[C@@H](C)[N@H+](C)Cc1cc(C#CCO)ccc1OC ZINC000049613214 520645614 /nfs/dbraw/zinc/64/56/14/520645614.db2.gz KAXJFVIDEXCPEE-CQSZACIVSA-N 1 0 275.392 2.659 10 30 CFEERO CC[NH+](CC)CCN[C@]1(C#N)CCCc2sccc21 ZINC000061329727 520688918 /nfs/dbraw/zinc/68/89/18/520688918.db2.gz YGUJZVFUTCRNFG-HNNXBMFYSA-N 1 0 277.437 2.735 10 30 CFEERO C=C(Cl)COc1c(C[NH2+]CCOC)cccc1OC ZINC000062732389 518650948 /nfs/dbraw/zinc/65/09/48/518650948.db2.gz PTLCFBBZOMAMEP-UHFFFAOYSA-N 1 0 285.771 2.563 10 30 CFEERO C=CCC[C@H](O)C[N@@H+](CCCOC)Cc1ccsc1 ZINC000036099451 518723769 /nfs/dbraw/zinc/72/37/69/518723769.db2.gz DFDZYDPQQMUXGY-HNNXBMFYSA-N 1 0 283.437 2.914 10 30 CFEERO C=CCN(CC=C)c1ccc(Cl)c(C[NH2+]C)n1 ZINC000051398938 518773237 /nfs/dbraw/zinc/77/32/37/518773237.db2.gz FPTGNFKZYNZCGX-UHFFFAOYSA-N 1 0 251.761 2.633 10 30 CFEERO CC(C)C[C@H](C)OCCOc1ccc(C#CC[NH3+])cc1 ZINC000049610804 519324014 /nfs/dbraw/zinc/32/40/14/519324014.db2.gz YRDXUHTXYAKLBV-HNNXBMFYSA-N 1 0 275.392 2.827 10 30 CFEERO CC(C)CC[C@H](C)NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000069235771 519690775 /nfs/dbraw/zinc/69/07/75/519690775.db2.gz ZLIPQEFZUYHLFG-ZDUSSCGKSA-N 1 0 290.382 2.690 10 30 CFEERO CC(C)CC[C@H](C)NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000069235783 519690866 /nfs/dbraw/zinc/69/08/66/519690866.db2.gz AXYYGSGHZLMVLI-ZDUSSCGKSA-N 1 0 290.382 2.690 10 30 CFEERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000049195630 519793876 /nfs/dbraw/zinc/79/38/76/519793876.db2.gz GTHQDPJLCYAHFQ-CZUORRHYSA-N 1 0 259.397 2.795 10 30 CFEERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000049199121 519793969 /nfs/dbraw/zinc/79/39/69/519793969.db2.gz IHYTZUQRQGHKFN-XJKSGUPXSA-N 1 0 259.397 2.795 10 30 CFEERO CC(C)[C@H](C)[N@H+](C)Cc1cccc(C#CCCO)c1 ZINC000049618607 519811887 /nfs/dbraw/zinc/81/18/87/519811887.db2.gz SDFLAIYDJOQWFW-HNNXBMFYSA-N 1 0 259.393 2.897 10 30 CFEERO CC(C)c1csc(NC(=O)c2ccc(C#CC[NH3+])cc2)n1 ZINC000049239580 519856472 /nfs/dbraw/zinc/85/64/72/519856472.db2.gz FEGOJRDRADKWNH-UHFFFAOYSA-N 1 0 299.399 2.829 10 30 CFEERO CCCC1CCN(C(=O)c2ccc(C#CC[NH3+])cc2)CC1 ZINC000050907098 519900175 /nfs/dbraw/zinc/90/01/75/519900175.db2.gz HXMOUUIXTLQNMD-UHFFFAOYSA-N 1 0 284.403 2.649 10 30 CFEERO CC[N@@H+](Cc1ccc(F)c(C#CCO)c1)CC(C)C ZINC000049617264 521313754 /nfs/dbraw/zinc/31/37/54/521313754.db2.gz MSWCWDXGFZXXRN-UHFFFAOYSA-N 1 0 263.356 2.647 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(C#N)c(F)c1 ZINC000192053192 521631735 /nfs/dbraw/zinc/63/17/35/521631735.db2.gz QPQDTELNVIFVSD-OAHLLOKOSA-N 1 0 275.371 2.613 10 30 CFEERO CCC[N@H+](Cc1ccc(F)c(C#CCO)c1)C1CC1 ZINC000049617699 521683330 /nfs/dbraw/zinc/68/33/30/521683330.db2.gz OFTDYFQBGHDBGR-UHFFFAOYSA-N 1 0 261.340 2.544 10 30 CFEERO C[NH+](C)C[C@H]1CCCN1c1cc(Cl)ccc1C#N ZINC000062790101 521873728 /nfs/dbraw/zinc/87/37/28/521873728.db2.gz NSJGZQZGRSQIHS-CYBMUJFWSA-N 1 0 263.772 2.742 10 30 CFEERO CC[C@@H](C)C[N@H+](C)Cc1cc(C#CCCO)ccc1OC ZINC000049617870 521970488 /nfs/dbraw/zinc/97/04/88/521970488.db2.gz VIKLXMHHJODOCD-OAHLLOKOSA-N 1 0 289.419 2.907 10 30 CFEERO COc1cc(C)ccc1OCc1ccc(C#CC[NH3+])cc1 ZINC000049610830 522281338 /nfs/dbraw/zinc/28/13/38/522281338.db2.gz GIMIEPWAIFOGJI-UHFFFAOYSA-N 1 0 281.355 2.893 10 30 CFEERO C[N@H+](CCCN[C@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000054825722 522773617 /nfs/dbraw/zinc/77/36/17/522773617.db2.gz AXYWQUUMVNHORK-ZBFHGGJFSA-N 1 0 263.429 2.923 10 30 CFEERO CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000049124747 523059225 /nfs/dbraw/zinc/05/92/25/523059225.db2.gz KCRPZLNEAUHJCE-DOTOQJQBSA-N 1 0 284.403 2.695 10 30 CFEERO C[N@H+](Cc1ccc(F)c(C#CCO)c1)C1CCCCC1 ZINC000049616498 523238892 /nfs/dbraw/zinc/23/88/92/523238892.db2.gz LERXLFKYFCCTEW-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1C#N ZINC000159002859 523480562 /nfs/dbraw/zinc/48/05/62/523480562.db2.gz ZYJQVURVEURINP-IAGOWNOFSA-N 1 0 287.382 2.756 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1CO[C@@H](C)CC(C)C ZINC000049610810 523512488 /nfs/dbraw/zinc/51/24/88/523512488.db2.gz CPVMARVTQPGKKT-AWEZNQCLSA-N 1 0 275.392 2.957 10 30 CFEERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000195520292 523607429 /nfs/dbraw/zinc/60/74/29/523607429.db2.gz ADRRKKLFRDMLNT-INIZCTEOSA-N 1 0 295.390 2.549 10 30 CFEERO C[N@@H+]1CCCC[C@H]1CCNc1cccc(F)c1C#N ZINC000052205560 523799093 /nfs/dbraw/zinc/79/90/93/523799093.db2.gz KGZUOESJBYFRMA-LBPRGKRZSA-N 1 0 261.344 2.984 10 30 CFEERO CC[C@H](C)[N@H+](CC)Cc1ccc(F)cc1C#CCO ZINC000049617616 523933896 /nfs/dbraw/zinc/93/38/96/523933896.db2.gz BZJGRXATPFCTDG-ZDUSSCGKSA-N 1 0 263.356 2.790 10 30 CFEERO COc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C#CCO ZINC000049616644 524040270 /nfs/dbraw/zinc/04/02/70/524040270.db2.gz VFAZPGJPJLKLKI-GJZGRUSLSA-N 1 0 287.403 2.517 10 30 CFEERO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCCC[C@@H]1C#N ZINC000054823663 524106459 /nfs/dbraw/zinc/10/64/59/524106459.db2.gz LRXBNMIULFKZRW-BZUAXINKSA-N 1 0 263.429 2.923 10 30 CFEERO C[C@H]1CCC[C@@](CO)([NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054829957 524173158 /nfs/dbraw/zinc/17/31/58/524173158.db2.gz OKQAHGGCWBJHEZ-GBJTYRQASA-N 1 0 250.386 2.600 10 30 CFEERO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C#CCO)cc1F ZINC000049616913 524190856 /nfs/dbraw/zinc/19/08/56/524190856.db2.gz VEVVNQOVFQUPBF-KBPBESRZSA-N 1 0 275.367 2.932 10 30 CFEERO C[C@@H]1CCC[N@H+](Cc2ccc(C#CCO)cc2)[C@@H]1C ZINC000050566721 524233305 /nfs/dbraw/zinc/23/33/05/524233305.db2.gz GBVBXDRPLCUMSC-HUUCEWRRSA-N 1 0 257.377 2.651 10 30 CFEERO C[C@H](C[NH3+])CNc1ccc(C(F)(F)F)cc1C#N ZINC000310963285 524310261 /nfs/dbraw/zinc/31/02/61/524310261.db2.gz OGTJFQGYNGZPRI-MRVPVSSYSA-N 1 0 257.259 2.584 10 30 CFEERO C[C@@H]1CCC[C@H](C)[N@H+]1CCOc1cccc(C#CCO)c1 ZINC000049616879 524363972 /nfs/dbraw/zinc/36/39/72/524363972.db2.gz QPQKMTNMILOBDS-IYBDPMFKSA-N 1 0 287.403 2.672 10 30 CFEERO Cc1ccc(C[N@@H+](C)Cc2ccc(C#CCCO)cc2)o1 ZINC000049618176 524393709 /nfs/dbraw/zinc/39/37/09/524393709.db2.gz YLGNKUFMORMBMK-UHFFFAOYSA-N 1 0 283.371 2.954 10 30 CFEERO C[C@H]([NH3+])[C@@H]1CCCCN1c1cc(Cl)ccc1C#N ZINC000063196510 524840460 /nfs/dbraw/zinc/84/04/60/524840460.db2.gz CWZKWQOVMWUCAB-GWCFXTLKSA-N 1 0 263.772 2.918 10 30 CFEERO C[C@H](NC(=O)c1cccc(C#CC[NH3+])c1)C1CCCCC1 ZINC000052344709 525228788 /nfs/dbraw/zinc/22/87/88/525228788.db2.gz IBFUZLQAWBXRCY-AWEZNQCLSA-N 1 0 284.403 2.695 10 30 CFEERO C[C@H](NC(=O)c1ccsc1)c1ccc(C#CC[NH3+])cc1 ZINC000049586755 525258713 /nfs/dbraw/zinc/25/87/13/525258713.db2.gz GNNFFZASRYNNSS-LBPRGKRZSA-N 1 0 284.384 2.549 10 30 CFEERO Cc1ccccc1OCc1cccc(C#CC[NH3+])c1 ZINC000049610510 525317362 /nfs/dbraw/zinc/31/73/62/525317362.db2.gz ZYUNYEVRWHCOPD-UHFFFAOYSA-N 1 0 251.329 2.884 10 30 CFEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1cccc(C#CCO)c1 ZINC000050566716 525639906 /nfs/dbraw/zinc/63/99/06/525639906.db2.gz PVBLQRXCGIXYBV-JKSUJKDBSA-N 1 0 287.403 2.530 10 30 CFEERO Cc1c(C)n([C@@H](C)C[NH+]2CCCCC2)c(N)c1C#N ZINC000049502406 525687451 /nfs/dbraw/zinc/68/74/51/525687451.db2.gz ZSLBUFQJOQRWFF-NSHDSACASA-N 1 0 260.385 2.606 10 30 CFEERO Cc1ccc(C#N)cc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050952170 525997705 /nfs/dbraw/zinc/99/77/05/525997705.db2.gz LUEMJNUVDHNEGY-UHFFFAOYSA-N 1 0 271.364 2.585 10 30 CFEERO Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#CC[NH3+])cc2)s1 ZINC000049586775 526195787 /nfs/dbraw/zinc/19/57/87/526195787.db2.gz STPBRQIYSBSRTP-ZDUSSCGKSA-N 1 0 298.411 2.858 10 30 CFEERO Cc1nn(Cc2cccc(C#CC[NH3+])c2)c(C)c1Cl ZINC000050587890 526292115 /nfs/dbraw/zinc/29/21/15/526292115.db2.gz CWFUPVMZCUTOQC-UHFFFAOYSA-N 1 0 273.767 2.512 10 30 CFEERO N#C[C@@H]1CCCCC[C@H]1[N@H+]1CCC[C@@H]1CCCO ZINC000052759640 526500123 /nfs/dbraw/zinc/50/01/23/526500123.db2.gz VYJIUKRRJCWPSO-RRFJBIMHSA-N 1 0 250.386 2.696 10 30 CFEERO N#Cc1c(C[N@H+]2CCC[C@@H]2CCCO)cn2ccccc12 ZINC000052762973 526518864 /nfs/dbraw/zinc/51/88/64/526518864.db2.gz LXXJACYOIIKWSG-OAHLLOKOSA-N 1 0 283.375 2.548 10 30 CFEERO N#Cc1c(F)cccc1NCCC[NH2+]Cc1cccnc1 ZINC000063197244 526524889 /nfs/dbraw/zinc/52/48/89/526524889.db2.gz GSIYVBCBUVYWMO-UHFFFAOYSA-N 1 0 284.338 2.684 10 30 CFEERO N#Cc1ccc(N[C@H]2CCC[C@@H]2C[NH3+])c(Br)c1 ZINC000089149095 526668080 /nfs/dbraw/zinc/66/80/80/526668080.db2.gz XJGDTAIYANKCIH-PWSUYJOCSA-N 1 0 294.196 2.860 10 30 CFEERO N#Cc1ccc([C@H](O)C[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000051017273 526689493 /nfs/dbraw/zinc/68/94/93/526689493.db2.gz ALHMQEDDNPSFBD-MRXNPFEDSA-N 1 0 288.297 2.660 10 30 CFEERO N/C(CCC[NH+]1CCC2(CCCCC2)CC1)=N\O ZINC000061820203 526811744 /nfs/dbraw/zinc/81/17/44/526811744.db2.gz MZGGSYAKVABCCK-UHFFFAOYSA-N 1 0 253.390 2.559 10 30 CFEERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)no1 ZINC000161045101 526923914 /nfs/dbraw/zinc/92/39/14/526923914.db2.gz CZWGVFFCWGFVHG-MRXNPFEDSA-N 1 0 296.374 2.704 10 30 CFEERO [NH3+]CC#Cc1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000049239572 527148529 /nfs/dbraw/zinc/14/85/29/527148529.db2.gz DBBBQHLPBHBIAO-UHFFFAOYSA-N 1 0 297.383 2.583 10 30 CFEERO [NH3+]CC#Cc1cccc(COc2ccc(F)cc2F)c1 ZINC000049610388 527152800 /nfs/dbraw/zinc/15/28/00/527152800.db2.gz VRFIBEOCEGZKEJ-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO [NH3+]CC#Cc1ccccc1COc1cccc(F)c1 ZINC000049610560 527154944 /nfs/dbraw/zinc/15/49/44/527154944.db2.gz KQBNTQRNLDIISQ-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO [NH3+]CC#Cc1csc(CN2Cc3ccccc3C2)c1 ZINC000050911910 527156174 /nfs/dbraw/zinc/15/61/74/527156174.db2.gz XNMJPUPCKWZULO-UHFFFAOYSA-N 1 0 268.385 2.574 10 30 CFEERO OCC#Cc1ccc(C[NH+]2CCCCCCC2)cc1 ZINC000049617063 527519753 /nfs/dbraw/zinc/51/97/53/527519753.db2.gz PLIHUAFCOHKVIF-UHFFFAOYSA-N 1 0 257.377 2.797 10 30 CFEERO C[NH2+]C[C@@H]1CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000052858673 618203208 /nfs/dbraw/zinc/20/32/08/618203208.db2.gz BWTMNOHWTKGLGE-NSHDSACASA-N 1 0 263.772 2.647 10 30 CFEERO Cc1cc(C)c(C#N)c(NCc2ccc(CC[NH3+])cc2)n1 ZINC000052899299 618203868 /nfs/dbraw/zinc/20/38/68/618203868.db2.gz RVYVSRYNBMYIBT-UHFFFAOYSA-N 1 0 280.375 2.683 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@](C)(c2ccccc2)C1 ZINC000261718404 618365399 /nfs/dbraw/zinc/36/53/99/618365399.db2.gz IDBVJARZLJZEEH-LXZKKBNFSA-N 1 0 271.408 2.634 10 30 CFEERO N#Cc1sc(N[C@H]2CCCC[C@H]2C[NH3+])nc1Cl ZINC000236161744 618607143 /nfs/dbraw/zinc/60/71/43/618607143.db2.gz AIWRLMDPKUOINL-YUMQZZPRSA-N 1 0 270.789 2.598 10 30 CFEERO C[C@H](CCC[NH3+])Nc1nc2ccccc2cc1C#N ZINC000311449361 618712425 /nfs/dbraw/zinc/71/24/25/618712425.db2.gz RSOZJVMIYSOFTO-LLVKDONJSA-N 1 0 254.337 2.646 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc(Cl)c(C#N)s1 ZINC000312083887 618875282 /nfs/dbraw/zinc/87/52/82/618875282.db2.gz VJPBJLNIZBOGQS-NXEZZACHSA-N 1 0 296.827 2.731 10 30 CFEERO CN(CC(C)(C)C[NH3+])c1ccc(C(F)(F)F)cc1C#N ZINC000093874733 619063389 /nfs/dbraw/zinc/06/33/89/619063389.db2.gz XXCHLRQIMAETAP-UHFFFAOYSA-N 1 0 285.313 2.998 10 30 CFEERO Cc1ccnc(NC[C@H]2[NH2+]CCc3ccccc32)c1C#N ZINC000261659205 619192844 /nfs/dbraw/zinc/19/28/44/619192844.db2.gz KHOMBSSBMBYGEA-MRXNPFEDSA-N 1 0 278.359 2.561 10 30 CFEERO C[NH+]=C(N[C@H](C)c1ccc(C)c(F)c1)N[C@@H]1C[C@@H]1C ZINC000261937748 619330124 /nfs/dbraw/zinc/33/01/24/619330124.db2.gz CWADNZJCHCCFAS-MISXGVKJSA-N 1 0 263.360 2.769 10 30 CFEERO CCCCCCC[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000157954576 650220831 /nfs/dbraw/zinc/22/08/31/650220831.db2.gz ALYWYHDDHFVFDK-MRXNPFEDSA-N 1 0 270.461 2.999 10 30 CFEERO C#CCOc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000245544319 650822325 /nfs/dbraw/zinc/82/23/25/650822325.db2.gz RYPYKSSFFPBZTE-QZTJIDSGSA-N 1 0 285.387 2.842 10 30 CFEERO CCCCCCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000246828167 650884599 /nfs/dbraw/zinc/88/45/99/650884599.db2.gz LPYKFZQZFPBAHS-JKSUJKDBSA-N 1 0 298.471 2.651 10 30 CFEERO CCCCCCC[N@@H+]1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000247036328 650895436 /nfs/dbraw/zinc/89/54/36/650895436.db2.gz PQHXVUKCIOIYPU-JKSUJKDBSA-N 1 0 270.461 2.734 10 30 CFEERO C[C@@]1(CNc2nc3ccccc3cc2C#N)CCC[NH2+]C1 ZINC000129301134 645146790 /nfs/dbraw/zinc/14/67/90/645146790.db2.gz ZPRCKKFNBUUFKG-QGZVFWFLSA-N 1 0 280.375 2.908 10 30 CFEERO C[C@H](C#N)OCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000304206220 651016236 /nfs/dbraw/zinc/01/62/36/651016236.db2.gz CXPQSCJNYKDSDT-BDAKNGLRSA-N 1 0 258.774 2.981 10 30 CFEERO CN(C(=O)C[N+](C)(C)C1CCCC1)C1(C#N)CCCCC1 ZINC000029414070 717118313 /nfs/dbraw/zinc/11/83/13/717118313.db2.gz DWBFQPBSIGIWII-UHFFFAOYSA-N 1 0 292.447 2.690 10 30 CFEERO C[N+](C)(CC(=O)N1CCCc2ccccc21)C1CCCC1 ZINC000029413627 717118316 /nfs/dbraw/zinc/11/83/16/717118316.db2.gz KVQWRZBXTBMWDS-UHFFFAOYSA-N 1 0 287.427 2.985 10 30 CFEERO C[N+](C)(C)CC#C[C@](O)(c1ccccc1)C1CCCC1 ZINC000096909339 185127434 /nfs/dbraw/zinc/12/74/34/185127434.db2.gz LCLUQLYMCAXABJ-SFHVURJKSA-N 1 0 272.412 2.774 10 30 CFEERO N#Cc1cnc2ccccc2c1N1CCC(CC[NH3+])CC1 ZINC000070188633 346908019 /nfs/dbraw/zinc/90/80/19/346908019.db2.gz ZZGHYFXPFXMRGK-UHFFFAOYSA-N 1 0 280.375 2.672 10 30 CFEERO C[NH2+]C[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N ZINC000596032149 349778658 /nfs/dbraw/zinc/77/86/58/349778658.db2.gz HNJFWLPJMOJNBX-MRVPVSSYSA-N 1 0 257.259 2.597 10 30 CFEERO C[C@H]([NH3+])C1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000110651393 136465347 /nfs/dbraw/zinc/46/53/47/136465347.db2.gz ZSMFPADJUIQHBS-JTQLQIEISA-N 1 0 263.772 2.775 10 30 CFEERO CC[C@@H]1CN(c2cc(C#N)c3ccccc3n2)CC[C@@H]1[NH3+] ZINC000122924333 347816805 /nfs/dbraw/zinc/81/68/05/347816805.db2.gz QKSODJXGFNBBEH-DOMZBBRYSA-N 1 0 280.375 2.670 10 30 CFEERO N#Cc1cccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152587788 347969194 /nfs/dbraw/zinc/96/91/94/347969194.db2.gz OUXFRKUQCPXQTG-KRWDZBQOSA-N 1 0 279.343 2.607 10 30 CFEERO CC#CCC[C@H]([NH3+])c1cncc(Br)c1 ZINC000161240095 348024171 /nfs/dbraw/zinc/02/41/71/348024171.db2.gz IBQOKTUZESISNR-NSHDSACASA-N 1 0 253.143 2.647 10 30 CFEERO Cc1cc(C#N)ccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000165495510 348040319 /nfs/dbraw/zinc/04/03/19/348040319.db2.gz DDBFENMZWJVGKW-QGZVFWFLSA-N 1 0 269.392 2.537 10 30 CFEERO Cc1cc(I)ccc1/[NH+]=C/N(C)C ZINC000215782519 348163030 /nfs/dbraw/zinc/16/30/30/348163030.db2.gz CNWMEQYLXPXKLR-KPKJPENVSA-N 1 0 288.132 2.821 10 30 CFEERO CCC[C@H]([NH3+])C#Cc1sccc1Br ZINC000229906458 348203534 /nfs/dbraw/zinc/20/35/34/348203534.db2.gz XGTWHYFXQUXXBA-QMMMGPOBSA-N 1 0 258.184 2.990 10 30 CFEERO CC[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251555369 348292642 /nfs/dbraw/zinc/29/26/42/348292642.db2.gz BHGRSKWFDNNCFO-QMTHXVAHSA-N 1 0 263.772 2.775 10 30 CFEERO CC(C)[C@@H]([NH3+])C#Cc1sccc1Br ZINC000300830833 348369847 /nfs/dbraw/zinc/36/98/47/348369847.db2.gz CABOZIUFEMXXRN-VIFPVBQESA-N 1 0 258.184 2.845 10 30 CFEERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(C#N)cc1Br ZINC000320856587 348437513 /nfs/dbraw/zinc/43/75/13/348437513.db2.gz MPXZZOVLLAZBOC-BDAKNGLRSA-N 1 0 282.185 2.858 10 30 CFEERO C[C@H]([NH3+])C[C@H](C)Nc1cccc(Br)c1C#N ZINC000320810091 348437718 /nfs/dbraw/zinc/43/77/18/348437718.db2.gz ICVHRQGXJLMPKR-IUCAKERBSA-N 1 0 282.185 2.858 10 30 CFEERO N#Cc1c(Br)cccc1NCCC1(C[NH3+])CC1 ZINC000404653249 348593105 /nfs/dbraw/zinc/59/31/05/348593105.db2.gz SCRXAHQOVMKPFS-UHFFFAOYSA-N 1 0 294.196 2.862 10 30 CFEERO [NH2+]=C(NCc1ccccc1Cl)NN=Cc1ccccc1 ZINC000584605340 348686920 /nfs/dbraw/zinc/68/69/20/348686920.db2.gz NJPCEVTZHJZDDI-VXLYETTFSA-N 1 0 286.766 2.988 10 30 CFEERO CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594428294 349418609 /nfs/dbraw/zinc/41/86/09/349418609.db2.gz MHNZEOROUWCHRT-GJZGRUSLSA-N 1 0 273.380 2.665 10 30 CFEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1Cl ZINC000594427651 349418696 /nfs/dbraw/zinc/41/86/96/349418696.db2.gz VUORIHOBIQQCCP-FZMZJTMJSA-N 1 0 293.798 2.928 10 30 CFEERO C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)s1 ZINC000594428885 349419431 /nfs/dbraw/zinc/41/94/31/349419431.db2.gz PQKSEYCXYPJMNE-NXEZZACHSA-N 1 0 299.827 2.990 10 30 CFEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C(F)(F)F)cc1C#N ZINC000600956777 350636770 /nfs/dbraw/zinc/63/67/70/350636770.db2.gz HPOZVHXQNGTJAQ-GZMMTYOYSA-N 1 0 269.270 2.739 10 30 CFEERO N#Cc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)s1 ZINC000122107928 187015405 /nfs/dbraw/zinc/01/54/05/187015405.db2.gz LZTKZNFYYJVFPM-UHFFFAOYSA-N 1 0 286.404 2.728 10 30 CFEERO C[C@H]1CN(c2ccc(Cl)cc2C#N)C[C@@H]1[NH+](C)C ZINC000123997245 187117330 /nfs/dbraw/zinc/11/73/30/187117330.db2.gz SSGPOYSYNJNXEP-HZMBPMFUSA-N 1 0 263.772 2.598 10 30 CFEERO N#Cc1ccc([C@@H]2Cc3ccccc3N(CC[NH3+])C2)cc1 ZINC000616671043 352405938 /nfs/dbraw/zinc/40/59/38/352405938.db2.gz FFXBVVIOWYGVDQ-QGZVFWFLSA-N 1 0 277.371 2.663 10 30 CFEERO N#Cc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000070070179 283147304 /nfs/dbraw/zinc/14/73/04/283147304.db2.gz DLAGGQCYXLUIIC-OAHLLOKOSA-N 1 0 250.301 2.782 10 30 CFEERO N#Cc1ccnc(NCC[NH2+]C2CCCCCC2)c1 ZINC000130128485 283224944 /nfs/dbraw/zinc/22/49/44/283224944.db2.gz UQSCHHPASVMSAE-UHFFFAOYSA-N 1 0 258.369 2.678 10 30 CFEERO C#CCCCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000179661520 189210698 /nfs/dbraw/zinc/21/06/98/189210698.db2.gz SNXFRZRXLICTJD-MRXNPFEDSA-N 1 0 272.392 2.599 10 30 CFEERO CC1(C)CCC[NH2+][C@H]1CNc1cccc(F)c1C#N ZINC000232990332 189819210 /nfs/dbraw/zinc/81/92/10/189819210.db2.gz CAEUPBQPMVFTJW-AWEZNQCLSA-N 1 0 261.344 2.887 10 30 CFEERO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000012669059 371980483 /nfs/dbraw/zinc/98/04/83/371980483.db2.gz NVNIZEAWLZNZML-RYUDHWBXSA-N 1 0 259.353 2.519 10 30 CFEERO C=CC[NH+](CC=C)C1Cc2cc(OC)c(OC)cc2C1 ZINC000013471392 372027727 /nfs/dbraw/zinc/02/77/27/372027727.db2.gz NCRMSLVCAGMWKS-UHFFFAOYSA-N 1 0 273.376 2.845 10 30 CFEERO N#Cc1cccc(OCC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000042251560 372895898 /nfs/dbraw/zinc/89/58/98/372895898.db2.gz ZBVVWYFNWFEBFC-IRXDYDNUSA-N 1 0 286.375 2.580 10 30 CFEERO C#CCOc1c(C[NH2+]C2CCCC2)cccc1OC ZINC000045945612 373038791 /nfs/dbraw/zinc/03/87/91/373038791.db2.gz KFESUUABBMKWGO-UHFFFAOYSA-N 1 0 259.349 2.739 10 30 CFEERO C#CCOc1ccc2ccccc2c1C[NH2+]C(C)(C)CO ZINC000045945572 373038924 /nfs/dbraw/zinc/03/89/24/373038924.db2.gz IKYVSNOUASEVKY-UHFFFAOYSA-N 1 0 283.371 2.712 10 30 CFEERO C[C@H]([NH3+])[C@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000070174831 374141174 /nfs/dbraw/zinc/14/11/74/374141174.db2.gz XCBFEBPZHMHTBY-JQWIXIFHSA-N 1 0 263.772 2.775 10 30 CFEERO C[NH2+]CCC1CCN(c2ccc(F)cc2C#N)CC1 ZINC000070190220 374144279 /nfs/dbraw/zinc/14/42/79/374144279.db2.gz LJUPHOZPOHTQDF-UHFFFAOYSA-N 1 0 261.344 2.523 10 30 CFEERO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000077204436 374558684 /nfs/dbraw/zinc/55/86/84/374558684.db2.gz CVRFSOTXTXUTSF-HOCLYGCPSA-N 1 0 275.392 2.892 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1c(F)cc(C#N)cc1F ZINC000093232603 375197661 /nfs/dbraw/zinc/19/76/61/375197661.db2.gz UFYAFSQYGAWSKZ-GFCCVEGCSA-N 1 0 279.334 2.757 10 30 CFEERO C[C@@H]1C[C@@](O)(C#CSCc2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000256009034 190001637 /nfs/dbraw/zinc/00/16/37/190001637.db2.gz WLHLVECYSXWTCK-UXLLHSPISA-N 1 0 289.444 2.972 10 30 CFEERO N#Cc1ccc(NCC[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000110798920 375831793 /nfs/dbraw/zinc/83/17/93/375831793.db2.gz VZJLWMADAYMDFZ-SNVBAGLBSA-N 1 0 283.297 2.989 10 30 CFEERO N#Cc1ccc(NCC[C@@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000110798916 375832379 /nfs/dbraw/zinc/83/23/79/375832379.db2.gz VZJLWMADAYMDFZ-JTQLQIEISA-N 1 0 283.297 2.989 10 30 CFEERO N#Cc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114201447 376052125 /nfs/dbraw/zinc/05/21/25/376052125.db2.gz LBGIOVJMQPHIJN-QGZVFWFLSA-N 1 0 296.374 2.887 10 30 CFEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000124958691 377103840 /nfs/dbraw/zinc/10/38/40/377103840.db2.gz HAFYCYIQXIWBCE-UONOGXRCSA-N 1 0 280.437 2.958 10 30 CFEERO CC(C)(C#N)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127984230 377309419 /nfs/dbraw/zinc/30/94/19/377309419.db2.gz JXRPJRUYVXXMES-UKRRQHHQSA-N 1 0 250.386 2.553 10 30 CFEERO Cc1cc(NCC[NH+]2CCCCCC2)c(C#N)c(C)n1 ZINC000133754593 377955591 /nfs/dbraw/zinc/95/55/91/377955591.db2.gz HUQPMSKFCMPNRZ-UHFFFAOYSA-N 1 0 272.396 2.858 10 30 CFEERO N#Cc1ccc(N2CCC([NH2+]CC3CC3)CC2)c(F)c1 ZINC000133709482 377951208 /nfs/dbraw/zinc/95/12/08/377951208.db2.gz DQOKMWXMJPTIJM-UHFFFAOYSA-N 1 0 273.355 2.666 10 30 CFEERO CCCC[C@@H](C[NH3+])Nc1c(F)cc(C#N)cc1F ZINC000133711290 377951454 /nfs/dbraw/zinc/95/14/54/377951454.db2.gz ZCCDNYPINOGOEB-JTQLQIEISA-N 1 0 253.296 2.766 10 30 CFEERO C=CCOc1cccc(NC(=O)[C@H](CCC)[NH+](C)C)c1 ZINC000138542635 378233292 /nfs/dbraw/zinc/23/32/92/378233292.db2.gz QUPROGGPPJODAL-HNNXBMFYSA-N 1 0 276.380 2.920 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C#N)ccc1F ZINC000175033829 379983748 /nfs/dbraw/zinc/98/37/48/379983748.db2.gz QOYYTCGLUDTBRV-JKSUJKDBSA-N 1 0 287.382 2.756 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C#N)c1 ZINC000175055968 379987055 /nfs/dbraw/zinc/98/70/55/379987055.db2.gz GQIBHCAXTLSINE-DLBZAZTESA-N 1 0 269.392 2.617 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C#N)c1 ZINC000176262190 380204658 /nfs/dbraw/zinc/20/46/58/380204658.db2.gz HPBMLJXORWPOCW-OAHLLOKOSA-N 1 0 286.379 2.506 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C#N)cs1 ZINC000184053208 381362119 /nfs/dbraw/zinc/36/21/19/381362119.db2.gz GWWMWOGLQPJNCY-UONOGXRCSA-N 1 0 275.421 2.678 10 30 CFEERO C[C@@H](c1cccc(C#N)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000187663478 382238978 /nfs/dbraw/zinc/23/89/78/382238978.db2.gz HLAGHGOMJMFCHQ-WMLDXEAASA-N 1 0 269.392 2.789 10 30 CFEERO Cc1cccc(OCCCC[NH2+]CCS)c1C ZINC000204954608 382773440 /nfs/dbraw/zinc/77/34/40/382773440.db2.gz XPRKXULNPIMVLE-UHFFFAOYSA-N 1 0 253.411 2.982 10 30 CFEERO COc1cc(C[N@@H+]2CCS[C@@H](C)C2)ccc1C#N ZINC000234991862 382875867 /nfs/dbraw/zinc/87/58/67/382875867.db2.gz VCRFNUBDXPMVKS-NSHDSACASA-N 1 0 262.378 2.504 10 30 CFEERO N#Cc1cc(NCC2([NH3+])CCC2)ccc1C(F)(F)F ZINC000236185908 382892613 /nfs/dbraw/zinc/89/26/13/382892613.db2.gz YQAGARLOXNGDEO-UHFFFAOYSA-N 1 0 269.270 2.870 10 30 CFEERO C#Cc1cccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)c1 ZINC000245424415 382999981 /nfs/dbraw/zinc/99/99/81/382999981.db2.gz CLCBHLHBMXFDKV-SJORKVTESA-N 1 0 297.402 2.758 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCC(C)(C)C#N ZINC000246556477 383081464 /nfs/dbraw/zinc/08/14/64/383081464.db2.gz LLVGIZUXBFZJTR-GJZGRUSLSA-N 1 0 263.429 2.875 10 30 CFEERO N#Cc1cc(Cl)ccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248585890 383265276 /nfs/dbraw/zinc/26/52/76/383265276.db2.gz XRMAYMDFUSDAKY-INIZCTEOSA-N 1 0 289.810 2.882 10 30 CFEERO N#Cc1ccc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C(F)(F)F ZINC000261743220 383550698 /nfs/dbraw/zinc/55/06/98/383550698.db2.gz SHTSIJMAPJFUEX-SUHUHFCYSA-N 1 0 295.308 2.751 10 30 CFEERO Cc1cc(C)c(C#N)c(NC[C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000262558216 383627725 /nfs/dbraw/zinc/62/77/25/383627725.db2.gz UQRZFBXLSKRSEL-KRWDZBQOSA-N 1 0 292.386 2.869 10 30 CFEERO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000046054154 393575969 /nfs/dbraw/zinc/57/59/69/393575969.db2.gz AWTWKMRSSGVBIO-MRXNPFEDSA-N 1 0 277.408 2.851 10 30 CFEERO N#CCCCC[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000121450223 393955514 /nfs/dbraw/zinc/95/55/14/393955514.db2.gz IWWFENUMBPIZSD-DOMZBBRYSA-N 1 0 280.318 2.766 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1cccc(F)c1C#N ZINC000252661663 297091838 /nfs/dbraw/zinc/09/18/38/297091838.db2.gz NSDRMWMFZZRLPX-OLZOCXBDSA-N 1 0 273.355 2.760 10 30 CFEERO CC(=[NH2+])NCc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000022053490 171351044 /nfs/dbraw/zinc/35/10/44/171351044.db2.gz OTCBFEREXZXTQU-UHFFFAOYSA-N 1 0 277.368 2.588 10 30 in-vitro CFEERO N#Cc1ccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000022939753 171404432 /nfs/dbraw/zinc/40/44/32/171404432.db2.gz HTHOEZZQILYTTJ-GOSISDBHSA-N 1 0 277.371 2.553 10 30 CFEERO N#Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000037018734 172881733 /nfs/dbraw/zinc/88/17/33/172881733.db2.gz NZXQOWGJPJFRQW-SNVBAGLBSA-N 1 0 297.280 2.515 10 30 CFEERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC000037166806 173001158 /nfs/dbraw/zinc/00/11/58/173001158.db2.gz PUWKTTXUXZLNRD-MRXNPFEDSA-N 1 0 259.397 2.624 10 30 CFEERO CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037393480 173173346 /nfs/dbraw/zinc/17/33/46/173173346.db2.gz VQJSIJLKDAAQAT-LBPRGKRZSA-N 1 0 265.744 2.524 10 30 CFEERO N#Cc1ccc(COc2cccc(CC[NH3+])c2)cc1 ZINC000037721250 173639402 /nfs/dbraw/zinc/63/94/02/173639402.db2.gz MQAFNKLYOJHXAL-UHFFFAOYSA-N 1 0 252.317 2.638 10 30 CFEERO C[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)[NH+]1CCCCC1 ZINC000038029363 174019704 /nfs/dbraw/zinc/01/97/04/174019704.db2.gz YOVYBZDPFQRGRY-GFCCVEGCSA-N 1 0 288.351 2.753 10 30 CFEERO C=CCC1(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000662889231 414628518 /nfs/dbraw/zinc/62/85/18/414628518.db2.gz TXRKQTWQAMKDGJ-QWHCGFSZSA-N 1 0 250.386 2.509 10 30 CFEERO C=C(Br)CNC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040669348 174367899 /nfs/dbraw/zinc/36/78/99/174367899.db2.gz QUTLVCVYHACOPU-YPMHNXCESA-N 1 0 289.261 2.995 10 30 CFEERO CC[C@H]([NH3+])[C@H](c1ccccc1F)N(C)C[C@@H](C)C#N ZINC000043045474 174956333 /nfs/dbraw/zinc/95/63/33/174956333.db2.gz DBFULNBBNQCLPB-CQDKDKBSSA-N 1 0 263.360 2.696 10 30 CFEERO C#CC[NH+]1CCC(Nc2cc(OC)ccc2Cl)CC1 ZINC000043317042 175005017 /nfs/dbraw/zinc/00/50/17/175005017.db2.gz OYOQTEYBGFNJSD-UHFFFAOYSA-N 1 0 278.783 2.858 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)c1cccnc1 ZINC000043349730 175019291 /nfs/dbraw/zinc/01/92/91/175019291.db2.gz XOEUKZGUPPIMHX-CVEARBPZSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)c1cccnc1 ZINC000043350421 175019708 /nfs/dbraw/zinc/01/97/08/175019708.db2.gz LZGUWEZTQPFFRO-CVEARBPZSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)C(F)(F)F ZINC000043385175 175031869 /nfs/dbraw/zinc/03/18/69/175031869.db2.gz LCMIRBPCDYXBJS-MWLCHTKSSA-N 1 0 276.233 2.744 10 30 CFEERO COc1ccccc1COc1ccc(C#CC[NH3+])cc1 ZINC000043457891 175050582 /nfs/dbraw/zinc/05/05/82/175050582.db2.gz DOSURFXESZACCX-UHFFFAOYSA-N 1 0 267.328 2.584 10 30 CFEERO CC[NH2+][C@H]1CC(C)(C)Oc2cc(OCC#N)ccc21 ZINC000043460423 175051326 /nfs/dbraw/zinc/05/13/26/175051326.db2.gz YWJIFZBOLFNCRD-ZDUSSCGKSA-N 1 0 260.337 2.801 10 30 CFEERO CCCOc1ccc(C[NH2+]CC)c(O[C@H](C)C#N)c1 ZINC000043513648 175061689 /nfs/dbraw/zinc/06/16/89/175061689.db2.gz MGVRGTSIEXAIIM-GFCCVEGCSA-N 1 0 262.353 2.876 10 30 CFEERO CC[C@@H]([NH3+])Cc1cc(Cl)ccc1O[C@@H](C)C#N ZINC000043518654 175061962 /nfs/dbraw/zinc/06/19/62/175061962.db2.gz ZVQLWRUCQVXLFD-JOYOIKCWSA-N 1 0 252.745 2.911 10 30 CFEERO C[C@@H]([NH3+])Cc1cc(Br)ccc1O[C@@H](C)C#N ZINC000043518627 175062009 /nfs/dbraw/zinc/06/20/09/175062009.db2.gz QKQHQAGGANYTND-BDAKNGLRSA-N 1 0 283.169 2.630 10 30 CFEERO CC[C@@H](C#N)Oc1ccc(Br)cc1CC[NH3+] ZINC000043543482 175064323 /nfs/dbraw/zinc/06/43/23/175064323.db2.gz AAXYCHPDHHUCTC-NSHDSACASA-N 1 0 283.169 2.631 10 30 CFEERO CC[C@H](C#N)Oc1ccc(OC)cc1C[C@@H]([NH3+])CC ZINC000043543526 175064396 /nfs/dbraw/zinc/06/43/96/175064396.db2.gz IHQVUSWHCLHIFP-QWHCGFSZSA-N 1 0 262.353 2.656 10 30 CFEERO Cc1cccc(NC(=O)c2ccc(C#CC[NH3+])c(F)c2)c1 ZINC000043582434 175069747 /nfs/dbraw/zinc/06/97/47/175069747.db2.gz DWDLPKNJTVBRKB-UHFFFAOYSA-N 1 0 282.318 2.697 10 30 CFEERO C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043582620 175070165 /nfs/dbraw/zinc/07/01/65/175070165.db2.gz LJZDVIBCHRADPK-STQMWFEESA-N 1 0 288.366 2.539 10 30 CFEERO CCC[C@@H](C)[N@H+](C)Cc1ccc(C#CCO)s1 ZINC000043677892 175088851 /nfs/dbraw/zinc/08/88/51/175088851.db2.gz UXBQXDWONNVIIC-GFCCVEGCSA-N 1 0 251.395 2.712 10 30 CFEERO CC[C@@H]1CCC[N@@H+]1Cc1ccc(C#CCCO)s1 ZINC000043678675 175089836 /nfs/dbraw/zinc/08/98/36/175089836.db2.gz YUMCFQHUNMDNNH-CYBMUJFWSA-N 1 0 263.406 2.856 10 30 CFEERO C[C@@H](C1CC1)[N@H+](C)Cc1sccc1C#CCCO ZINC000043679716 175090297 /nfs/dbraw/zinc/09/02/97/175090297.db2.gz NSAUFRBVOIUBMK-LBPRGKRZSA-N 1 0 263.406 2.712 10 30 CFEERO CC(C)C[N@H+](C)Cc1ccc(C#CCCO)s1 ZINC000043679514 175090416 /nfs/dbraw/zinc/09/04/16/175090416.db2.gz HRMIKMFFJBJHFI-UHFFFAOYSA-N 1 0 251.395 2.570 10 30 CFEERO C[N@H+](Cc1cccs1)Cc1ccc(C#CCO)s1 ZINC000043679614 175090596 /nfs/dbraw/zinc/09/05/96/175090596.db2.gz WXYWSWUKINVOEL-UHFFFAOYSA-N 1 0 277.414 2.785 10 30 CFEERO CC(C)C[C@H](C)[N@H+](C)Cc1ccc(C#CCO)s1 ZINC000043681972 175091080 /nfs/dbraw/zinc/09/10/80/175091080.db2.gz AROFYUKMBGCKMM-ZDUSSCGKSA-N 1 0 265.422 2.958 10 30 CFEERO C[C@H]([N@H+](C)Cc1sccc1C#CCO)C(C)(C)C ZINC000043682091 175091187 /nfs/dbraw/zinc/09/11/87/175091187.db2.gz VMVILLAANTZHKA-LBPRGKRZSA-N 1 0 265.422 2.958 10 30 CFEERO [NH3+]CC#Cc1ccsc1CN(CC(F)(F)F)C1CC1 ZINC000043684266 175092661 /nfs/dbraw/zinc/09/26/61/175092661.db2.gz SAPSKBOLWBASBB-UHFFFAOYSA-N 1 0 288.338 2.585 10 30 CFEERO [NH3+]CC#Cc1ccsc1COc1ccc(F)cc1F ZINC000043684603 175092800 /nfs/dbraw/zinc/09/28/00/175092800.db2.gz UNKGTFPYGKCLCL-UHFFFAOYSA-N 1 0 279.311 2.916 10 30 CFEERO [NH3+]CC#Cc1ccc(COCc2ccccc2)s1 ZINC000043684543 175093094 /nfs/dbraw/zinc/09/30/94/175093094.db2.gz YUUADZQDLCBREP-UHFFFAOYSA-N 1 0 257.358 2.775 10 30 CFEERO CC(C)[N@@H+](Cc1cc(C#CCO)cs1)CC1CC1 ZINC000043698730 175096814 /nfs/dbraw/zinc/09/68/14/175096814.db2.gz CEQJNBRIZRCUNB-UHFFFAOYSA-N 1 0 263.406 2.712 10 30 CFEERO Cc1ccc(C#N)c(N[C@@H](CC(C)C)C[NH+](C)C)n1 ZINC000044419630 175173784 /nfs/dbraw/zinc/17/37/84/175173784.db2.gz SEUHPPDOAXZRKK-AWEZNQCLSA-N 1 0 260.385 2.650 10 30 CFEERO C[C@H](CNc1nc2c(cc1C#N)CCC2)[NH+]1CCCCC1 ZINC000044419817 175173807 /nfs/dbraw/zinc/17/38/07/175173807.db2.gz BRGLRYJOKMQHGK-CYBMUJFWSA-N 1 0 284.407 2.728 10 30 CFEERO C[C@@H](CNc1nc2c(cc1C#N)CCC2)[NH+]1CCCCC1 ZINC000044419814 175173855 /nfs/dbraw/zinc/17/38/55/175173855.db2.gz BRGLRYJOKMQHGK-ZDUSSCGKSA-N 1 0 284.407 2.728 10 30 CFEERO C[C@H]([NH2+]C[C@@H]1CCCCN1C)c1cccc(C#N)c1 ZINC000044560981 175205243 /nfs/dbraw/zinc/20/52/43/175205243.db2.gz SEJBJZJLUXZPEF-BBRMVZONSA-N 1 0 257.381 2.693 10 30 CFEERO C#CCN1CCC([NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000044729916 175239641 /nfs/dbraw/zinc/23/96/41/175239641.db2.gz DHGLKWRHFWGKGC-ZDUSSCGKSA-N 1 0 260.381 2.645 10 30 CFEERO CC[C@@H](CC[NH3+])CCC(=O)Nc1cccc(C#N)c1 ZINC000079206778 177445977 /nfs/dbraw/zinc/44/59/77/177445977.db2.gz MBPHZEIAYVFRRD-GFCCVEGCSA-N 1 0 259.353 2.652 10 30 CFEERO C=CC1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000111632346 262354103 /nfs/dbraw/zinc/35/41/03/262354103.db2.gz ZKKHBPBSIRXHBE-QGZVFWFLSA-N 1 0 286.419 2.584 10 30 CFEERO C[NH+]=C(NCC1CC1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000128924852 264309235 /nfs/dbraw/zinc/30/92/35/264309235.db2.gz OJZNGGKIWHQCQO-ZWNOBZJWSA-N 1 0 295.789 2.910 10 30 CFEERO C[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@@H]1[NH+](C)C ZINC000123990946 274361719 /nfs/dbraw/zinc/36/17/19/274361719.db2.gz FPOJHURMAJIHAE-YGRLFVJLSA-N 1 0 263.772 2.598 10 30 CFEERO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1[NH+](C)C ZINC000154093411 274363016 /nfs/dbraw/zinc/36/30/16/274363016.db2.gz JQOZMIRDYLBGFR-YGRLFVJLSA-N 1 0 297.324 2.963 10 30 CFEERO N#Cc1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])c(Br)c1 ZINC000089149094 274925581 /nfs/dbraw/zinc/92/55/81/274925581.db2.gz XJGDTAIYANKCIH-ZYHUDNBSSA-N 1 0 294.196 2.860 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)c1c(F)cc(C#N)cc1F ZINC000093232604 276183674 /nfs/dbraw/zinc/18/36/74/276183674.db2.gz UFYAFSQYGAWSKZ-LBPRGKRZSA-N 1 0 279.334 2.757 10 30 CFEERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000132434418 278314121 /nfs/dbraw/zinc/31/41/21/278314121.db2.gz FTSLLTQZDIEKJN-NXEZZACHSA-N 1 0 283.297 2.751 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(C#N)ccc1C(C)=O ZINC000131310754 279302230 /nfs/dbraw/zinc/30/22/30/279302230.db2.gz CUICVXHVVGWUCQ-OAHLLOKOSA-N 1 0 285.391 2.681 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CCCC[C@H]1C[NH3+] ZINC000044559375 294876815 /nfs/dbraw/zinc/87/68/15/294876815.db2.gz YBXONXFYYSONKJ-LBPRGKRZSA-N 1 0 283.297 2.895 10 30 CFEERO C[C@H]1[C@H]([NH3+])CCN1c1ccc(C(F)(F)F)cc1C#N ZINC000261624347 300704134 /nfs/dbraw/zinc/70/41/34/300704134.db2.gz VDGYQCBYMDBHFM-GZMMTYOYSA-N 1 0 269.270 2.503 10 30 CFEERO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)C12CCOCC2 ZINC000185664199 329328582 /nfs/dbraw/zinc/32/85/82/329328582.db2.gz WGRCBGDCSKLYMT-LSDHHAIUSA-N 1 0 294.439 2.880 10 30 CFEERO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)C12CCOCC2 ZINC000185664242 329328628 /nfs/dbraw/zinc/32/86/28/329328628.db2.gz WGRCBGDCSKLYMT-HUUCEWRRSA-N 1 0 294.439 2.880 10 30 CFEERO CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)C12CCOCC2 ZINC000185664261 329328672 /nfs/dbraw/zinc/32/86/72/329328672.db2.gz WGRCBGDCSKLYMT-CABCVRRESA-N 1 0 294.439 2.880 10 30 CFEERO CC[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261652556 329974634 /nfs/dbraw/zinc/97/46/34/329974634.db2.gz MXCKBJSXSIUMJD-BARDWOONSA-N 1 0 293.455 2.544 10 30 CFEERO COCc1ccccc1NC(=[NH2+])NC[C@@H]1CCCCS1 ZINC000262167432 330001319 /nfs/dbraw/zinc/00/13/19/330001319.db2.gz BZQPHMWDFBSTND-ZDUSSCGKSA-N 1 0 293.436 2.845 10 30 CFEERO C[NH+]=C(NCc1nc(C(C)C)c(C)s1)N1CCCC1 ZINC000262297911 330004927 /nfs/dbraw/zinc/00/49/27/330004927.db2.gz JPQIFVBEMXGCNQ-UHFFFAOYSA-N 1 0 280.441 2.746 10 30 CFEERO C#C[C@@H](NC(=[NH2+])Nc1ccccc1COC)C(C)(C)C ZINC000262332963 330006574 /nfs/dbraw/zinc/00/65/74/330006574.db2.gz VXECKPXXBOIUBO-CQSZACIVSA-N 1 0 273.380 2.608 10 30 CFEERO COCc1ccccc1NC(=[NH2+])NC1C(C)(C)C1(C)C ZINC000262343826 330007185 /nfs/dbraw/zinc/00/71/85/330007185.db2.gz CZQJVTKAIVCKQG-UHFFFAOYSA-N 1 0 275.396 2.994 10 30 CFEERO CN(C)C(=[NH+]C[C@H]1CCCC[C@H]1C(F)(F)F)N(C)C ZINC000262474923 330016181 /nfs/dbraw/zinc/01/61/81/330016181.db2.gz UWUFCQKJDUGUAK-GHMZBOCLSA-N 1 0 279.350 2.834 10 30 CFEERO CC[C@H](C)NC(=[NH2+])NCc1ncoc1-c1ccccc1 ZINC000262547029 330020614 /nfs/dbraw/zinc/02/06/14/330020614.db2.gz SHNGOBFZAOVYNE-NSHDSACASA-N 1 0 272.352 2.544 10 30 CFEERO Cc1nc(-c2ccccc2)sc1CNC1=[NH+]C[C@H](C)N1 ZINC000262673557 330025954 /nfs/dbraw/zinc/02/59/54/330025954.db2.gz SEKGXUZRFXQHCI-JTQLQIEISA-N 1 0 286.404 2.556 10 30 CFEERO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H]1CC12CC2 ZINC000263098836 330043426 /nfs/dbraw/zinc/04/34/26/330043426.db2.gz JTTOVUFBRZSCID-GFCCVEGCSA-N 1 0 297.324 2.910 10 30 CFEERO Cc1ccc(Br)cc1CNC1=[NH+]CCCN1C ZINC000263130379 330044951 /nfs/dbraw/zinc/04/49/51/330044951.db2.gz NBLYOJUSRGBMOR-UHFFFAOYSA-N 1 0 296.212 2.539 10 30 CFEERO C[NH+]=C(NCc1ccn(-c2ccccc2)n1)N[C@H](C)C(C)C ZINC000263247429 330050610 /nfs/dbraw/zinc/05/06/10/330050610.db2.gz NNOSFKKHGATSJR-CQSZACIVSA-N 1 0 299.422 2.582 10 30 CFEERO C#CCOc1cccc(C[NH2+]Cc2ccc(OC)cc2)c1 ZINC000045945926 330350020 /nfs/dbraw/zinc/35/00/20/330350020.db2.gz AHNJXDWANSONPV-UHFFFAOYSA-N 1 0 281.355 2.997 10 30 CFEERO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)cc1OC ZINC000250968323 334354093 /nfs/dbraw/zinc/35/40/93/334354093.db2.gz DAVOCTOUZXQCEK-AEGPPILISA-N 1 0 288.391 2.917 10 30 CFEERO CCOCCN1CC[N@H+](CCCC(C)(C)C#N)C[C@H]1CC ZINC000174849474 333008921 /nfs/dbraw/zinc/00/89/21/333008921.db2.gz UUNBYRVQAPHZMX-MRXNPFEDSA-N 1 0 295.471 2.749 10 30 CFEERO C=CC[N@H+]1CC[C@H]2[C@H]1CCN2Cc1ccc(CC)o1 ZINC000253606353 333186095 /nfs/dbraw/zinc/18/60/95/333186095.db2.gz MPIDIQYBZKAZOT-CVEARBPZSA-N 1 0 260.381 2.677 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000245872815 334222467 /nfs/dbraw/zinc/22/24/67/334222467.db2.gz SBSKLKSDAKOSQJ-SOUVJXGZSA-N 1 0 281.444 2.759 10 30 CFEERO CC(C)CC[N@H+](C)Cc1ccccc1C#CCCO ZINC000049614882 519650773 /nfs/dbraw/zinc/65/07/73/519650773.db2.gz VYMOAEZMZDVXOA-UHFFFAOYSA-N 1 0 259.393 2.898 10 30 CFEERO CC(C)CC[N@H+](C)Cc1ccc(C#CCCO)cc1 ZINC000049614884 519650801 /nfs/dbraw/zinc/65/08/01/519650801.db2.gz MFPBPDMVWMNKQO-UHFFFAOYSA-N 1 0 259.393 2.898 10 30 CFEERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000049199129 519793995 /nfs/dbraw/zinc/79/39/95/519793995.db2.gz IHYTZUQRQGHKFN-CZUORRHYSA-N 1 0 259.397 2.795 10 30 CFEERO CCCCC[C@@H](C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049105945 520286783 /nfs/dbraw/zinc/28/67/83/520286783.db2.gz XCWYXJYXLMFGSO-CQSZACIVSA-N 1 0 272.392 2.695 10 30 CFEERO CCCC[N@H+](Cc1cccc(C#CCO)c1)C1CC1 ZINC000049613885 520545250 /nfs/dbraw/zinc/54/52/50/520545250.db2.gz NBFQIHDOCJYEKH-UHFFFAOYSA-N 1 0 257.377 2.795 10 30 CFEERO C#CCOc1ccc2ccccc2c1C[NH2+]CCCOC ZINC000045945967 518331269 /nfs/dbraw/zinc/33/12/69/518331269.db2.gz LAYBNPVUFWSGCK-UHFFFAOYSA-N 1 0 283.371 2.978 10 30 CFEERO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000182480417 518591983 /nfs/dbraw/zinc/59/19/83/518591983.db2.gz DXDDUCVSOKQOFA-LBPRGKRZSA-N 1 0 266.410 2.823 10 30 CFEERO C=CCN(CC=C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181536 518768461 /nfs/dbraw/zinc/76/84/61/518768461.db2.gz WMJWOOUGUAIUOC-UHFFFAOYSA-N 1 0 280.456 2.703 10 30 CFEERO C=CCOc1ccccc1C[NH2+][C@H](CN(C)C)C(C)C ZINC000049198116 519072920 /nfs/dbraw/zinc/07/29/20/519072920.db2.gz PRYHMTBKWIRWNE-MRXNPFEDSA-N 1 0 276.424 2.927 10 30 CFEERO C=CCOc1ccccc1CN[C@H](C)CC[NH+](C)C ZINC000049554026 519073339 /nfs/dbraw/zinc/07/33/39/519073339.db2.gz YWSXODQQADQHGV-CQSZACIVSA-N 1 0 262.397 2.681 10 30 CFEERO CC(C)C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000049558274 519343969 /nfs/dbraw/zinc/34/39/69/519343969.db2.gz MKYSXURLMXHXBX-CYBMUJFWSA-N 1 0 290.367 2.855 10 30 CFEERO CC(C)CC[C@@H](C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000069235768 519682557 /nfs/dbraw/zinc/68/25/57/519682557.db2.gz IAGCVEOBVQKSLF-CQSZACIVSA-N 1 0 272.392 2.551 10 30 CFEERO CC(C)c1nccn1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049610138 519880002 /nfs/dbraw/zinc/88/00/02/519880002.db2.gz RIBMVCTYSUCVEZ-UHFFFAOYSA-N 1 0 271.339 2.504 10 30 CFEERO CC[NH+](CC)C[C@H](C)N[C@H](CC#N)c1ccccc1 ZINC000055018961 520735089 /nfs/dbraw/zinc/73/50/89/520735089.db2.gz OAIZCGKYPWMMMJ-GOEBONIOSA-N 1 0 259.397 2.961 10 30 CFEERO CCCC[C@@H](C[NH3+])Nc1nc2c(cc1C#N)CCCC2 ZINC000160671638 521048967 /nfs/dbraw/zinc/04/89/67/521048967.db2.gz RLMVRCHGHOJMJG-AWEZNQCLSA-N 1 0 272.396 2.761 10 30 CFEERO CC[N@H+](Cc1ccc(OC)c(C#CCCO)c1)C(C)C ZINC000049617431 521322755 /nfs/dbraw/zinc/32/27/55/521322755.db2.gz HZDZPSKMJVRRAN-UHFFFAOYSA-N 1 0 275.392 2.659 10 30 CFEERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1ccc(C#N)cc1 ZINC000054601456 521957094 /nfs/dbraw/zinc/95/70/94/521957094.db2.gz WYBQLZMGLVTRAQ-VHRNVKJDSA-N 1 0 255.365 2.668 10 30 CFEERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)c(Cl)c1 ZINC000054627952 521957103 /nfs/dbraw/zinc/95/71/03/521957103.db2.gz OZJBENKQVCZWJQ-YHWZYXNKSA-N 1 0 275.783 2.931 10 30 CFEERO CC[C@@H](C)[N@H+](C)Cc1ccc(C#CCCO)cc1F ZINC000049617186 522063685 /nfs/dbraw/zinc/06/36/85/522063685.db2.gz PUJQRDDONIMHAV-CYBMUJFWSA-N 1 0 263.356 2.790 10 30 CFEERO C[NH2+]C[C@H]1CCCCN1c1cccc(Cl)c1C#N ZINC000063169484 522079223 /nfs/dbraw/zinc/07/92/23/522079223.db2.gz UHWNGGXNEVBOTJ-LLVKDONJSA-N 1 0 263.772 2.790 10 30 CFEERO CC[C@H]1CCCC[N@@H+]1CCOc1ccc(C#CCO)cc1 ZINC000049617477 523029025 /nfs/dbraw/zinc/02/90/25/523029025.db2.gz YEPJHNMTSTWMID-KRWDZBQOSA-N 1 0 287.403 2.674 10 30 CFEERO CN(Cc1ccc(F)c(C#CC[NH3+])c1)c1ccccc1 ZINC000049608426 523239827 /nfs/dbraw/zinc/23/98/27/523239827.db2.gz ISTPSPQYWSLVDP-UHFFFAOYSA-N 1 0 268.335 2.772 10 30 CFEERO CC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#CCO)C1 ZINC000049613078 523253657 /nfs/dbraw/zinc/25/36/57/523253657.db2.gz AKHCWYSJSWEXHQ-CQSZACIVSA-N 1 0 275.367 2.792 10 30 CFEERO CC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000049615163 523269326 /nfs/dbraw/zinc/26/93/26/523269326.db2.gz YKOUBLILPRZPFO-OAHLLOKOSA-N 1 0 261.340 2.544 10 30 CFEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)c(F)c1 ZINC000192119115 523316263 /nfs/dbraw/zinc/31/62/63/523316263.db2.gz ABKVLCMARHIOPR-JKSUJKDBSA-N 1 0 287.382 2.756 10 30 CFEERO C[N@H+](Cc1ccsc1)Cc1ccc(F)c(C#CCO)c1 ZINC000049618167 523483853 /nfs/dbraw/zinc/48/38/53/523483853.db2.gz ZIOBYNJCPAHLIF-UHFFFAOYSA-N 1 0 289.375 2.863 10 30 CFEERO COc1ccc(C#CC[NH3+])cc1COC1CCCCC1 ZINC000049610320 523512853 /nfs/dbraw/zinc/51/28/53/523512853.db2.gz AOZPAMIKOAUTSU-UHFFFAOYSA-N 1 0 273.376 2.855 10 30 CFEERO COc1ccc(C#CCO)cc1C[N@H+](C)CCC(C)C ZINC000049614901 523517994 /nfs/dbraw/zinc/51/79/94/523517994.db2.gz HNGSUVWBRGDKRD-UHFFFAOYSA-N 1 0 275.392 2.517 10 30 CFEERO CC[C@H](C)C[N@H+](C)Cc1ccc(C#CCCO)cc1 ZINC000049617869 523869163 /nfs/dbraw/zinc/86/91/63/523869163.db2.gz SULNJAZJELZAQI-HNNXBMFYSA-N 1 0 259.393 2.898 10 30 CFEERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#CCO ZINC000049615744 524115768 /nfs/dbraw/zinc/11/57/68/524115768.db2.gz ZMULOCHAGDMTIG-CYBMUJFWSA-N 1 0 261.340 2.544 10 30 CFEERO C[C@@H]1CCC[N@H+](CCOc2cccc(C#CCO)c2)[C@@H]1C ZINC000050566715 524230777 /nfs/dbraw/zinc/23/07/77/524230777.db2.gz PVBLQRXCGIXYBV-HZPDHXFCSA-N 1 0 287.403 2.530 10 30 CFEERO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#CCO)[C@@H]1C ZINC000050566733 524235034 /nfs/dbraw/zinc/23/50/34/524235034.db2.gz GSBCAFSKLWTVEA-ZIAGYGMSSA-N 1 0 275.367 2.790 10 30 CFEERO C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#CCCO)c1 ZINC000049615272 524261603 /nfs/dbraw/zinc/26/16/03/524261603.db2.gz ZIAKXASUFCXVPY-CYBMUJFWSA-N 1 0 261.340 2.544 10 30 CFEERO C[C@H](CN1CCCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000049149433 524319267 /nfs/dbraw/zinc/31/92/67/524319267.db2.gz UBQDXQXHMIQDJW-KGLIPLIRSA-N 1 0 257.381 2.693 10 30 CFEERO Cc1ccc(C[N@@H+](C)Cc2ccccc2C#CCO)o1 ZINC000049618178 524395743 /nfs/dbraw/zinc/39/57/43/524395743.db2.gz ZDSFGNDFKUQEJN-UHFFFAOYSA-N 1 0 269.344 2.564 10 30 CFEERO C[C@H]([NH3+])c1ccccc1OCc1cccnc1C#N ZINC000061656376 524869627 /nfs/dbraw/zinc/86/96/27/524869627.db2.gz ZBQKZRMZEJHVCK-NSHDSACASA-N 1 0 253.305 2.552 10 30 CFEERO C[C@@H](NC(=O)C1CCCCC1)c1ccc(C#CC[NH3+])cc1 ZINC000049586738 525068972 /nfs/dbraw/zinc/06/89/72/525068972.db2.gz HCNLDMWTLIQTBR-CQSZACIVSA-N 1 0 284.403 2.754 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccccc1C#N ZINC000083704261 525080138 /nfs/dbraw/zinc/08/01/38/525080138.db2.gz QQUQCMHZHCIEOK-RHSMWYFYSA-N 1 0 269.392 2.617 10 30 CFEERO Cc1ccccc1C[N@H+](C)Cc1cccc(C#CCO)c1 ZINC000049614469 525128473 /nfs/dbraw/zinc/12/84/73/525128473.db2.gz SYIQSMCRNXOEQQ-UHFFFAOYSA-N 1 0 279.383 2.971 10 30 CFEERO C[C@@H](NC(=O)c1ccc(C#CC[NH3+])cc1)C1CCCCC1 ZINC000052344706 525322284 /nfs/dbraw/zinc/32/22/84/525322284.db2.gz BIVCTCQBEXKEEY-CQSZACIVSA-N 1 0 284.403 2.695 10 30 CFEERO Cc1ccc(OCc2cccc(C#CC[NH3+])c2)cc1 ZINC000049610643 525444470 /nfs/dbraw/zinc/44/44/70/525444470.db2.gz UUWIFQAGHNGLKY-UHFFFAOYSA-N 1 0 251.329 2.884 10 30 CFEERO CSC[C@H](C)C[NH2+]Cc1cccc(OCC#N)c1 ZINC000069434879 525681664 /nfs/dbraw/zinc/68/16/64/525681664.db2.gz MCENVQNHIDGCJS-GFCCVEGCSA-N 1 0 264.394 2.678 10 30 CFEERO Cc1ccc(C#N)cc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050952172 525997982 /nfs/dbraw/zinc/99/79/82/525997982.db2.gz OEOYJNAXJUIZLV-AWEZNQCLSA-N 1 0 271.364 2.728 10 30 CFEERO Cc1ccc(C(=O)N(C)Cc2ccc(C#CC[NH3+])cc2)s1 ZINC000049586622 526060649 /nfs/dbraw/zinc/06/06/49/526060649.db2.gz XZMUSBCFRHWVRT-UHFFFAOYSA-N 1 0 298.411 2.639 10 30 CFEERO Cc1ccc(C(=O)N[C@H](C)c2cccc(C#CC[NH3+])c2)s1 ZINC000049587236 526210591 /nfs/dbraw/zinc/21/05/91/526210591.db2.gz RWLMOYHMRHPLLV-CYBMUJFWSA-N 1 0 298.411 2.858 10 30 CFEERO COc1cccc(OCc2cccc(C#CC[NH3+])c2)c1 ZINC000049610436 526236693 /nfs/dbraw/zinc/23/66/93/526236693.db2.gz DSZMZTWDWQZHRB-UHFFFAOYSA-N 1 0 267.328 2.584 10 30 CFEERO Cc1nn(Cc2ccc(F)cc2C#CC[NH3+])c(C)c1Cl ZINC000050587891 526292267 /nfs/dbraw/zinc/29/22/67/526292267.db2.gz VVWZKGVKSOAUTH-UHFFFAOYSA-N 1 0 291.757 2.651 10 30 CFEERO N#C[C@H]1CCCCC[C@H]1[N@H+]1CCC[C@@H]1CCCO ZINC000052759639 526512601 /nfs/dbraw/zinc/51/26/01/526512601.db2.gz VYJIUKRRJCWPSO-RBSFLKMASA-N 1 0 250.386 2.696 10 30 CFEERO N#Cc1cc(Br)ccc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000335583147 526539723 /nfs/dbraw/zinc/53/97/23/526539723.db2.gz VPAQWJNZCKFHKJ-CABZTGNLSA-N 1 0 294.196 2.860 10 30 CFEERO N#Cc1cc2c(nc1N[C@H]1CCCCC[C@@H]1[NH3+])CCCC2 ZINC000063214334 526579964 /nfs/dbraw/zinc/57/99/64/526579964.db2.gz OKCVBCKTFMGUPS-HOCLYGCPSA-N 1 0 284.407 2.904 10 30 CFEERO N#Cc1ccc(N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Cl ZINC000061847062 526644565 /nfs/dbraw/zinc/64/45/65/526644565.db2.gz JAIPPGVWIJITFZ-LSDHHAIUSA-N 1 0 275.783 2.932 10 30 CFEERO N#Cc1ccc(N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000155834164 526666455 /nfs/dbraw/zinc/66/64/55/526666455.db2.gz BOETXULUDPKPCI-CQSZACIVSA-N 1 0 288.351 2.786 10 30 CFEERO N#Cc1ccc(N[C@@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000062790787 526666601 /nfs/dbraw/zinc/66/66/01/526666601.db2.gz LIICATKPWNLOPV-CQSZACIVSA-N 1 0 261.756 2.718 10 30 CFEERO N#Cc1ccc(OCC2CC[NH2+]CC2)cc1C(F)(F)F ZINC000051869715 526672803 /nfs/dbraw/zinc/67/28/03/526672803.db2.gz NKRWVYPAGWLNDC-UHFFFAOYSA-N 1 0 284.281 2.955 10 30 CFEERO N[NH+]=C(NC1CCCC1)[C@H]1CCCc2ccccc21 ZINC000054669733 526816911 /nfs/dbraw/zinc/81/69/11/526816911.db2.gz FOPRPZGHIOZASK-HNNXBMFYSA-N 1 0 257.381 2.911 10 30 CFEERO [NH3+]CC#Cc1cc(F)ccc1COc1ccc(F)c(F)c1 ZINC000049611080 527148103 /nfs/dbraw/zinc/14/81/03/527148103.db2.gz UVTZMAHCFYWQBZ-UHFFFAOYSA-N 1 0 291.272 2.993 10 30 CFEERO [NH3+]CC#Cc1ccc(COc2ccc(F)c(F)c2)cc1 ZINC000049611077 527149709 /nfs/dbraw/zinc/14/97/09/527149709.db2.gz UNJUUJJZEJLMRU-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO [NH3+]CC#Cc1ccc(OCCOC2CCCCC2)cc1 ZINC000049610316 527151918 /nfs/dbraw/zinc/15/19/18/527151918.db2.gz GZODPGZKSBYXFR-UHFFFAOYSA-N 1 0 273.376 2.725 10 30 CFEERO [NH3+]CC#Cc1csc(COCc2ccccc2F)c1 ZINC000069285281 527156367 /nfs/dbraw/zinc/15/63/67/527156367.db2.gz JUKHJBGLBHMTCB-UHFFFAOYSA-N 1 0 275.348 2.914 10 30 CFEERO OCC#Cc1cc(F)ccc1C[NH+]1CCCCCCC1 ZINC000049617071 527518581 /nfs/dbraw/zinc/51/85/81/527518581.db2.gz JVHOLCGSRXELSY-UHFFFAOYSA-N 1 0 275.367 2.936 10 30 CFEERO OCCC#Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000049616115 527529500 /nfs/dbraw/zinc/52/95/00/527529500.db2.gz LEEBXYPNSPUOSS-UHFFFAOYSA-N 1 0 257.377 2.797 10 30 CFEERO OCCC#Cc1cccc(OCC[NH+]2CCCCCC2)c1 ZINC000049616108 527531823 /nfs/dbraw/zinc/53/18/23/527531823.db2.gz WNLQYJOYUDZJPZ-UHFFFAOYSA-N 1 0 287.403 2.675 10 30 CFEERO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(C#CCO)cs1 ZINC000043698502 570261671 /nfs/dbraw/zinc/26/16/71/570261671.db2.gz XTKMFHVYOLBZLZ-STQMWFEESA-N 1 0 263.406 2.855 10 30 CFEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)/C=C\c1ccccc1C#N ZINC000255396827 617748443 /nfs/dbraw/zinc/74/84/43/617748443.db2.gz QMIHFLPOPAUFAY-DOOKAGJSSA-N 1 0 299.418 2.664 10 30 CFEERO Cc1ccc([C@H](C)[NH2+]CCO[C@H](C)C#N)cc1F ZINC000310704992 618607081 /nfs/dbraw/zinc/60/70/81/618607081.db2.gz HNMGVDYOKFKMLS-NEPJUHHUSA-N 1 0 250.317 2.713 10 30 CFEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000119309170 619129399 /nfs/dbraw/zinc/12/93/99/619129399.db2.gz GDZINFRMSBZSSP-NXEZZACHSA-N 1 0 299.201 2.782 10 30 CFEERO Cc1cc(C)c(C#N)c(NCC2([NH3+])CCCCC2)n1 ZINC000261670052 619201475 /nfs/dbraw/zinc/20/14/75/619201475.db2.gz ZZPXDQGCHKENQJ-UHFFFAOYSA-N 1 0 258.369 2.644 10 30 CFEERO C[NH2+]CCC1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000262038138 619406522 /nfs/dbraw/zinc/40/65/22/619406522.db2.gz BNWBZRMTGYMNKE-UHFFFAOYSA-N 1 0 294.402 2.932 10 30 CFEERO C#Cc1cccc(NC(=O)NC[C@H](C)[NH+](CC)CC)c1 ZINC000043983623 619442266 /nfs/dbraw/zinc/44/22/66/619442266.db2.gz QBVWYXGNXIZRDH-ZDUSSCGKSA-N 1 0 273.380 2.520 10 30 CFEERO CCCCCCCCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000150759853 622744055 /nfs/dbraw/zinc/74/40/55/622744055.db2.gz LADGYCXUTJVTEI-KGLIPLIRSA-N 1 0 254.418 2.981 10 30 CFEERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000061892811 623239966 /nfs/dbraw/zinc/23/99/66/623239966.db2.gz OJZGGIVDMSTAMZ-RDBSUJKOSA-N 1 0 293.411 2.668 10 30 CFEERO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1O ZINC000061891334 623240162 /nfs/dbraw/zinc/24/01/62/623240162.db2.gz RFWHZPAJNOZDLM-DGCLKSJQSA-N 1 0 260.337 2.573 10 30 CFEERO C[NH2+]C[C@H]1CCCCN1c1ccc(C#N)c(Cl)c1 ZINC000063169412 623329768 /nfs/dbraw/zinc/32/97/68/623329768.db2.gz UKQKFPGKMAFPPK-CYBMUJFWSA-N 1 0 263.772 2.790 10 30 CFEERO C#CCCOc1ccc(C[NH2+][C@@H]2CCCN(CC)C2)cc1 ZINC000113326620 635554176 /nfs/dbraw/zinc/55/41/76/635554176.db2.gz TYHRARAZDRDKGH-QGZVFWFLSA-N 1 0 286.419 2.663 10 30 CFEERO CCCCCCCCCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000124341713 641977048 /nfs/dbraw/zinc/97/70/48/641977048.db2.gz MOQNEUINMKSZON-AWEZNQCLSA-N 1 0 254.418 2.995 10 30 CFEERO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC)C2)cc1 ZINC000247216466 650900682 /nfs/dbraw/zinc/90/06/82/650900682.db2.gz XHPKQSFEMJAVPA-NVXWUHKLSA-N 1 0 286.419 2.834 10 30 CFEERO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)cc1 ZINC000247977607 650920615 /nfs/dbraw/zinc/92/06/15/650920615.db2.gz HZSREJRREUIDII-QILLFSRXSA-N 1 0 287.403 2.900 10 30 CFEERO CC(C)([NH3+])CNc1ccc(C(F)(F)F)cc1C#N ZINC000129659792 645312228 /nfs/dbraw/zinc/31/22/28/645312228.db2.gz KJRNRSTYBAPTGM-UHFFFAOYSA-N 1 0 257.259 2.726 10 30 CFEERO C[C@@H]1C[C@H](C)CN(C(=O)C[N+](C)(C)C2CCCC2)C1 ZINC000073712983 717134645 /nfs/dbraw/zinc/13/46/45/717134645.db2.gz HEJXHULCWVADJL-OKILXGFUSA-N 1 0 267.437 2.510 10 30 CFEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N+](C)(C)C1CCCC1 ZINC000073713132 717134715 /nfs/dbraw/zinc/13/47/15/717134715.db2.gz CCJZTWSCPJWMEZ-CQSZACIVSA-N 1 0 267.437 2.819 10 30 CFEERO CN(Cc1ccccc1F)C(=O)C[N+](C)(C)C1CCCC1 ZINC000128733632 717150672 /nfs/dbraw/zinc/15/06/72/717150672.db2.gz PGPASFVASJKIKT-UHFFFAOYSA-N 1 0 293.406 2.803 10 30 CFEERO COc1ccccc1OCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595692375 349704234 /nfs/dbraw/zinc/70/42/34/349704234.db2.gz NULMDOIHFUOARK-KGLIPLIRSA-N 1 0 274.364 2.746 10 30 CFEERO Cc1noc(C)c1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000330159129 282388206 /nfs/dbraw/zinc/38/82/06/282388206.db2.gz QJSGIQYNXAHWGO-NSHDSACASA-N 1 0 294.399 2.882 10 30 CFEERO C#CC[N@@H+](CCC)[C@@H]1CCc2cc(OC)ccc2C1 ZINC000038814939 346340028 /nfs/dbraw/zinc/34/00/28/346340028.db2.gz GTAQIKLSIRXVGG-MRXNPFEDSA-N 1 0 257.377 2.898 10 30 CFEERO C=C[C@@H]([NH2+]C)c1ccc(I)cc1 ZINC000130578552 347872475 /nfs/dbraw/zinc/87/24/75/347872475.db2.gz WBQIPRFUBWWWQS-SNVBAGLBSA-N 1 0 273.117 2.738 10 30 CFEERO C=C(C)[C@@H]([NH3+])c1ccc(I)cc1 ZINC000131228885 347877401 /nfs/dbraw/zinc/87/74/01/347877401.db2.gz UXGWMFLUEWWVIH-SNVBAGLBSA-N 1 0 273.117 2.867 10 30 CFEERO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000172908644 348103945 /nfs/dbraw/zinc/10/39/45/348103945.db2.gz WOTYXAICLFEFFG-IAGOWNOFSA-N 1 0 290.451 2.969 10 30 CFEERO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000086840061 179351604 /nfs/dbraw/zinc/35/16/04/179351604.db2.gz FXBVUCPCVFQIQV-ZDUSSCGKSA-N 1 0 288.351 2.753 10 30 CFEERO O/[N+](=C\c1ccncc1)Cc1ccccc1Br ZINC000225442097 348177626 /nfs/dbraw/zinc/17/76/26/348177626.db2.gz ZVELAWSBYGOHNN-SXGWCWSVSA-N 1 0 292.156 2.865 10 30 CFEERO CC[C@@H]1CN(c2ccc(Cl)cc2C#N)CC[C@H]1[NH3+] ZINC000251569594 348292705 /nfs/dbraw/zinc/29/27/05/348292705.db2.gz BVKBBRLBSKDMRN-ZWNOBZJWSA-N 1 0 263.772 2.775 10 30 CFEERO N#CCC1(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000253089587 348299095 /nfs/dbraw/zinc/29/90/95/348299095.db2.gz GZPFDEDRKKSLNY-RRFJBIMHSA-N 1 0 262.397 2.696 10 30 CFEERO CC(=O)N(C1CCC1)[C@H]1CCC[N@H+](CCCC#N)CC1 ZINC000328654667 348442027 /nfs/dbraw/zinc/44/20/27/348442027.db2.gz XPIJCUXNCSUTTE-INIZCTEOSA-N 1 0 277.412 2.546 10 30 CFEERO C[C@@H]1CC(C=O)C[C@@H](C)[NH+]1CCOc1ccccc1 ZINC000584883069 348726319 /nfs/dbraw/zinc/72/63/19/348726319.db2.gz GEETVWRSCUSPFZ-ZIAGYGMSSA-N 1 0 261.365 2.753 10 30 CFEERO CC[C@@H]([NH3+])[C@H](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000584645043 348700863 /nfs/dbraw/zinc/70/08/63/348700863.db2.gz KDPMCJNEIJLNBA-NOZJJQNGSA-N 1 0 279.771 2.914 10 30 CFEERO C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)s1 ZINC000594428889 349419816 /nfs/dbraw/zinc/41/98/16/349419816.db2.gz PQKSEYCXYPJMNE-ZJUUUORDSA-N 1 0 299.827 2.990 10 30 CFEERO C[C@H]([NH3+])c1nc2ccc(C#N)cc2n1-c1ccccc1 ZINC000091692148 180227892 /nfs/dbraw/zinc/22/78/92/180227892.db2.gz WWZLYSBJNRDGFZ-NSHDSACASA-N 1 0 262.316 2.917 10 30 CFEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000600957335 350636542 /nfs/dbraw/zinc/63/65/42/350636542.db2.gz NRTLUODNSLQCOI-QPUJVOFHSA-N 1 0 269.270 2.739 10 30 CFEERO N#Cc1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063201275 283154917 /nfs/dbraw/zinc/15/49/17/283154917.db2.gz XNARORVHHATAJX-INIZCTEOSA-N 1 0 255.365 2.527 10 30 CFEERO N#Cc1ccc(N[C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000155826415 283181144 /nfs/dbraw/zinc/18/11/44/283181144.db2.gz NYOHVCRMCKERSA-CQSZACIVSA-N 1 0 288.351 2.786 10 30 CFEERO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000179465983 189195997 /nfs/dbraw/zinc/19/59/97/189195997.db2.gz CNDHEILGHOZFHJ-MRXNPFEDSA-N 1 0 298.390 2.680 10 30 CFEERO C[NH2+]C[C@H]1CCCN1c1ccc(C(F)(F)F)cc1C#N ZINC000156661483 283601037 /nfs/dbraw/zinc/60/10/37/283601037.db2.gz UMWZSFIABWIRDY-GFCCVEGCSA-N 1 0 283.297 2.765 10 30 CFEERO C=CCN(CC1CCCCC1)C(=O)[C@@H]([NH3+])CCC ZINC000236794207 260595917 /nfs/dbraw/zinc/59/59/17/260595917.db2.gz REZZLGWFRDDTRL-AWEZNQCLSA-N 1 0 252.402 2.709 10 30 CFEERO C[C@H]1CC(C[NH2+]Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000282044674 540980728 /nfs/dbraw/zinc/98/07/28/540980728.db2.gz AKIDSVCLVPPUDO-QWRGUYRKSA-N 1 0 264.394 2.913 10 30 CFEERO Cc1cc(NC2CC[NH+](C3CC3)CC2)c(C#N)c(C)n1 ZINC000301790426 201200514 /nfs/dbraw/zinc/20/05/14/201200514.db2.gz QLOJAAHDGOEEOS-UHFFFAOYSA-N 1 0 270.380 2.609 10 30 CFEERO C#CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000019875359 372201502 /nfs/dbraw/zinc/20/15/02/372201502.db2.gz AUYGSDROBMEBDW-UHFFFAOYSA-N 1 0 251.329 2.988 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CCCC[C@@H]1C[NH3+] ZINC000044559374 373007470 /nfs/dbraw/zinc/00/74/70/373007470.db2.gz YBXONXFYYSONKJ-GFCCVEGCSA-N 1 0 283.297 2.895 10 30 CFEERO C[NH2+][C@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000053204743 373471999 /nfs/dbraw/zinc/47/19/99/373471999.db2.gz KOILQONPLTYBJF-NSHDSACASA-N 1 0 283.297 2.765 10 30 CFEERO C=CC[N@H+](Cc1cccs1)C[C@@H](O)COC(C)(C)C ZINC000053420103 373477469 /nfs/dbraw/zinc/47/74/69/373477469.db2.gz IGOIARDJBOIEPC-CYBMUJFWSA-N 1 0 283.437 2.912 10 30 CFEERO N#C[C@H]1CCC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054823755 373530314 /nfs/dbraw/zinc/53/03/14/373530314.db2.gz SGNKNIVNFUOYSA-SJLPKXTDSA-N 1 0 283.419 2.933 10 30 CFEERO C[C@@H]([NH3+])CCNc1ccc(C(F)(F)F)cc1C#N ZINC000063171579 373790639 /nfs/dbraw/zinc/79/06/39/373790639.db2.gz FLBWXSMCYILLQL-MRVPVSSYSA-N 1 0 257.259 2.726 10 30 CFEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000070174830 374140986 /nfs/dbraw/zinc/14/09/86/374140986.db2.gz XCBFEBPZHMHTBY-ZYHUDNBSSA-N 1 0 263.772 2.775 10 30 CFEERO C[C@@H](C#N)Oc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000092616064 375131003 /nfs/dbraw/zinc/13/10/03/375131003.db2.gz RFFNVQVXDZRZOF-DOTOQJQBSA-N 1 0 299.418 2.648 10 30 CFEERO C[C@H]1C[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113335592 376010780 /nfs/dbraw/zinc/01/07/80/376010780.db2.gz HZXSXOISPPWGAS-XJKSGUPXSA-N 1 0 280.375 2.962 10 30 CFEERO C[C@@H]1CN(c2ccc(C#N)cc2Br)[C@@H](C)C[NH2+]1 ZINC000127281313 377273552 /nfs/dbraw/zinc/27/35/52/377273552.db2.gz VHVYPXLTDMVOAJ-ZJUUUORDSA-N 1 0 294.196 2.507 10 30 CFEERO C[C@]1(CNc2nc3c(cc2C#N)CCCC3)CCC[NH2+]C1 ZINC000129399515 377423284 /nfs/dbraw/zinc/42/32/84/377423284.db2.gz YMYCRDAFVHWRHH-KRWDZBQOSA-N 1 0 284.407 2.634 10 30 CFEERO N#Cc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)s1 ZINC000129363528 377418173 /nfs/dbraw/zinc/41/81/73/377418173.db2.gz QRPYJKSECWBZKG-DOMZBBRYSA-N 1 0 276.405 2.747 10 30 CFEERO COc1ccc(C[N@@H+]2CCS[C@@H](C)C2)cc1C#N ZINC000135043786 378077925 /nfs/dbraw/zinc/07/79/25/378077925.db2.gz XUGJRYCRERMVOK-NSHDSACASA-N 1 0 262.378 2.504 10 30 CFEERO C#CC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000149351028 378263686 /nfs/dbraw/zinc/26/36/86/378263686.db2.gz UMRPBXLVMYYHDA-QMMMGPOBSA-N 1 0 256.118 2.872 10 30 CFEERO Cc1cc(N2CCC[C@@H](c3cc[nH]n3)C2)c(C#N)c(C)n1 ZINC000160509343 378777740 /nfs/dbraw/zinc/77/77/40/378777740.db2.gz CDGPLSMQNIUDDT-CYBMUJFWSA-N 1 0 281.363 2.677 10 30 CFEERO CC[N@@H+]1CCC[C@H](Nc2nc(C)c(C#N)cc2Cl)C1 ZINC000336812844 380673459 /nfs/dbraw/zinc/67/34/59/380673459.db2.gz BBOVJXNJRHFCDP-LBPRGKRZSA-N 1 0 278.787 2.811 10 30 CFEERO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400446302 380861859 /nfs/dbraw/zinc/86/18/59/380861859.db2.gz PPTUWAFNFOVDGF-NWDGAFQWSA-N 1 0 288.819 2.974 10 30 CFEERO Cc1cc(N[C@H]2CCC[C@H]2CCO)c(C#N)c(C)n1 ZINC000302413502 382247572 /nfs/dbraw/zinc/24/75/72/382247572.db2.gz HIZZOWCKSVZIFD-JSGCOSHPSA-N 1 0 259.353 2.533 10 30 CFEERO N#Cc1cccc(OCCC[N@@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000357623872 382256104 /nfs/dbraw/zinc/25/61/04/382256104.db2.gz UIKQNKIHIOJRQH-ZBFHGGJFSA-N 1 0 256.349 2.811 10 30 CFEERO C[C@@H](CCCC[NH3+])Nc1nc2c(cc1C#N)CCCC2 ZINC000336829300 382725632 /nfs/dbraw/zinc/72/56/32/382725632.db2.gz CIUKDDYNCDSPFE-LBPRGKRZSA-N 1 0 272.396 2.761 10 30 CFEERO N#Cc1c2c(ccc1F)[nH+]c(N)n2Cc1ccccc1 ZINC000575572261 382774095 /nfs/dbraw/zinc/77/40/95/382774095.db2.gz NLGMVFFHVSGQMR-UHFFFAOYSA-N 1 0 266.279 2.508 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C#N)cc1 ZINC000247544775 383182994 /nfs/dbraw/zinc/18/29/94/383182994.db2.gz PLEPYWCEYZCNMU-CVEARBPZSA-N 1 0 298.390 2.649 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261719635 383547704 /nfs/dbraw/zinc/54/77/04/383547704.db2.gz PYDVUZGJVMCDHA-XDTLVQLUSA-N 1 0 295.308 2.751 10 30 CFEERO C=CCCC(C)(C)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000638874659 385007375 /nfs/dbraw/zinc/00/73/75/385007375.db2.gz JHPWAJLDERRUSK-OAHLLOKOSA-N 1 0 252.402 2.627 10 30 CFEERO Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)c(C#N)c(C)n1 ZINC000301810343 393477441 /nfs/dbraw/zinc/47/74/41/393477441.db2.gz ZDBNYMBBQOMEAT-CQSZACIVSA-N 1 0 274.412 2.958 10 30 CFEERO N#Cc1ccc(NC(=[NH2+])NCc2ccccc2)c(F)c1 ZINC000307695335 393513985 /nfs/dbraw/zinc/51/39/85/393513985.db2.gz JHCXNWOLVQDUEI-UHFFFAOYSA-N 1 0 268.295 2.834 10 30 CFEERO C=CCC[C@H](O)C[N@@H+](CCCOC)Cc1cccs1 ZINC000036096598 393522430 /nfs/dbraw/zinc/52/24/30/393522430.db2.gz OOGWOIWMWRYHMK-AWEZNQCLSA-N 1 0 283.437 2.914 10 30 CFEERO CC(C)C[C@H](C[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000094337468 393808080 /nfs/dbraw/zinc/80/80/80/393808080.db2.gz KPTLAQXROFGPGI-SNVBAGLBSA-N 1 0 286.301 2.757 10 30 CFEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1cccc(F)c1C#N ZINC000252661664 393937722 /nfs/dbraw/zinc/93/77/22/393937722.db2.gz NSDRMWMFZZRLPX-STQMWFEESA-N 1 0 273.355 2.760 10 30 CFEERO Cc1ccccc1-c1cc(N2CC[NH+](C)CC2)ncc1C#N ZINC000090568217 134509872 /nfs/dbraw/zinc/50/98/72/134509872.db2.gz HVWMPCSXFINWER-UHFFFAOYSA-N 1 0 292.386 2.681 10 30 CFEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000129829981 394095140 /nfs/dbraw/zinc/09/51/40/394095140.db2.gz FDYVAWNALYDUPU-MFKMUULPSA-N 1 0 278.787 2.747 10 30 CFEERO C[C@@H]1CC(C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@@H](C)O1 ZINC000421374756 394208826 /nfs/dbraw/zinc/20/88/26/394208826.db2.gz DCPYJMIGWXOPPR-VXGBXAGGSA-N 1 0 276.355 2.991 10 30 CFEERO Cc1nc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(Cl)cc1C#N ZINC000292811831 394277494 /nfs/dbraw/zinc/27/74/94/394277494.db2.gz ZDWJDCNYSUHRDV-GXFFZTMASA-N 1 0 290.798 2.588 10 30 CFEERO N#CCOc1ccc(C[NH2+]CCc2ccco2)cc1 ZINC000034992648 171919739 /nfs/dbraw/zinc/91/97/39/171919739.db2.gz ISUOUXVKUWHGCD-UHFFFAOYSA-N 1 0 256.305 2.514 10 30 CFEERO C#CCN1CCC([NH2+][C@H](C)CCCC(C)C)CC1 ZINC000037231804 173050272 /nfs/dbraw/zinc/05/02/72/173050272.db2.gz JDAITFFSCJEPFK-OAHLLOKOSA-N 1 0 250.430 2.888 10 30 CFEERO N#Cc1ccc(NC(=O)C[NH2+]C2CCCC2)cc1Cl ZINC000037386780 173169523 /nfs/dbraw/zinc/16/95/23/173169523.db2.gz MFZDUSIWXMFXIK-UHFFFAOYSA-N 1 0 277.755 2.682 10 30 CFEERO [NH3+]CC#Cc1ccccc1OCCc1ccccc1 ZINC000037547906 173264255 /nfs/dbraw/zinc/26/42/55/173264255.db2.gz LXBYXEKVCQJCLV-UHFFFAOYSA-N 1 0 251.329 2.618 10 30 CFEERO [NH3+]CC#Cc1ccccc1OCc1cccc(F)c1 ZINC000037547905 173264672 /nfs/dbraw/zinc/26/46/72/173264672.db2.gz SVHKEWVUHWUDNH-UHFFFAOYSA-N 1 0 255.292 2.715 10 30 CFEERO C#CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000040226054 174209013 /nfs/dbraw/zinc/20/90/13/174209013.db2.gz CGMMUWJQIQCSFT-GFCCVEGCSA-N 1 0 250.139 2.659 10 30 CFEERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000040502171 174298403 /nfs/dbraw/zinc/29/84/03/174298403.db2.gz XKIVVYRHVQOHDT-BBRMVZONSA-N 1 0 257.381 2.693 10 30 CFEERO CC(C)[C@@H]([NH3+])C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000040852949 174421622 /nfs/dbraw/zinc/42/16/22/174421622.db2.gz QYAGGGHMWVKJRV-TVQRCGJNSA-N 1 0 291.420 2.666 10 30 CFEERO COc1cc(C#N)ccc1O[C@H](C[NH3+])c1ccc(C)cc1 ZINC000042906871 174908621 /nfs/dbraw/zinc/90/86/21/174908621.db2.gz XFPVWLSBJLRNRT-QGZVFWFLSA-N 1 0 282.343 2.954 10 30 CFEERO C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(CCC#N)C1CC1 ZINC000042915616 174915833 /nfs/dbraw/zinc/91/58/33/174915833.db2.gz CPUUVJNYJSALSF-IAQYHMDHSA-N 1 0 261.344 2.592 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CCC#N ZINC000042944650 174920053 /nfs/dbraw/zinc/92/00/53/174920053.db2.gz IKUTTZHBDRDCSG-ZIAGYGMSSA-N 1 0 265.788 2.964 10 30 CFEERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CCC#N ZINC000043020166 174945075 /nfs/dbraw/zinc/94/50/75/174945075.db2.gz LFCOIBANAAOFGI-GXFFZTMASA-N 1 0 296.212 2.683 10 30 CFEERO CC[C@H]([NH3+])[C@@H](c1ccccc1C)N(C)C[C@@H](C)C#N ZINC000043037075 174951996 /nfs/dbraw/zinc/95/19/96/174951996.db2.gz UOOKOAYCTZUMSN-VBNZEHGJSA-N 1 0 259.397 2.865 10 30 CFEERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CCC#N ZINC000043051142 174959022 /nfs/dbraw/zinc/95/90/22/174959022.db2.gz SRNACJQQWXWCPN-ZIAGYGMSSA-N 1 0 265.788 2.964 10 30 CFEERO CC[C@H]([NH3+])[C@@H](c1cccs1)N(C)C[C@@H](C)C#N ZINC000043106309 174972538 /nfs/dbraw/zinc/97/25/38/174972538.db2.gz WPEJBOZTGKOBIK-GVXVVHGQSA-N 1 0 251.399 2.618 10 30 CFEERO C[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)C(C)(C)C ZINC000043297169 174998717 /nfs/dbraw/zinc/99/87/17/174998717.db2.gz HQAVIMXYYAASLC-NOZJJQNGSA-N 1 0 250.317 2.838 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)c1cccnc1 ZINC000043351252 175019673 /nfs/dbraw/zinc/01/96/73/175019673.db2.gz SLFMPLYMICAHDS-GOEBONIOSA-N 1 0 285.322 2.950 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)c1ccncc1 ZINC000043355399 175023232 /nfs/dbraw/zinc/02/32/32/175023232.db2.gz HOVBAHPGIAJTFA-HOTGVXAUSA-N 1 0 267.332 2.811 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1ccc(C#N)cc1OC)C(F)(F)F ZINC000043383403 175031193 /nfs/dbraw/zinc/03/11/93/175031193.db2.gz KAYDNQNNYMGKIH-CABZTGNLSA-N 1 0 288.269 2.614 10 30 CFEERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1C#N)C(F)(F)F ZINC000043384078 175031376 /nfs/dbraw/zinc/03/13/76/175031376.db2.gz UVVOLFJYOBPWEQ-GXSJLCMTSA-N 1 0 258.243 2.605 10 30 CFEERO CC1(C)C[C@H]([NH3+])c2ccc(OCCCC#N)cc2O1 ZINC000043460126 175051304 /nfs/dbraw/zinc/05/13/04/175051304.db2.gz ONNINXUDCUGROM-ZDUSSCGKSA-N 1 0 260.337 2.930 10 30 CFEERO CCOc1cc(C[NH2+]C2CC2)ccc1O[C@H](C)C#N ZINC000043513468 175061781 /nfs/dbraw/zinc/06/17/81/175061781.db2.gz IOVKBTIIKAUYST-LLVKDONJSA-N 1 0 260.337 2.628 10 30 CFEERO COc1cc(C[C@H](C)[NH3+])cc(Cl)c1O[C@H](C)C#N ZINC000043518533 175062064 /nfs/dbraw/zinc/06/20/64/175062064.db2.gz CZFYAIGHGMSTQM-DTWKUNHWSA-N 1 0 268.744 2.529 10 30 CFEERO CC[C@@H](C#N)Oc1c(Cl)cc(C[NH2+]C)cc1OC ZINC000043538674 175063851 /nfs/dbraw/zinc/06/38/51/175063851.db2.gz LOXSYPDZUCACPL-JTQLQIEISA-N 1 0 268.744 2.749 10 30 CFEERO CCC[NH2+]Cc1ccc(O[C@@H](C#N)CC)c([N+](=O)[O-])c1 ZINC000043538729 175063966 /nfs/dbraw/zinc/06/39/66/175063966.db2.gz JDVKZPFEVSUCKL-GFCCVEGCSA-N 1 0 277.324 2.775 10 30 CFEERO CC[C@H](C#N)Oc1ccc(OC)cc1C[NH2+]C(C)C ZINC000043538671 175064091 /nfs/dbraw/zinc/06/40/91/175064091.db2.gz WSPGIGPYZHNLFQ-CYBMUJFWSA-N 1 0 262.353 2.874 10 30 CFEERO CC[C@H](C#N)Oc1c(Br)cccc1CC[NH3+] ZINC000043543667 175064227 /nfs/dbraw/zinc/06/42/27/175064227.db2.gz KYNGVEZMNMHIMU-SNVBAGLBSA-N 1 0 283.169 2.631 10 30 CFEERO CC[C@@H]([NH3+])Cc1ccc(OC)cc1O[C@H](C#N)CC ZINC000043543663 175064292 /nfs/dbraw/zinc/06/42/92/175064292.db2.gz ZXCCQSGULCRKNJ-OLZOCXBDSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@@H](C#N)Oc1c(Cl)cc(C[C@H](C)[NH3+])cc1OC ZINC000043543530 175064314 /nfs/dbraw/zinc/06/43/14/175064314.db2.gz LJMBZWBBBNJYGV-ONGXEEELSA-N 1 0 282.771 2.919 10 30 CFEERO CCCCC[C@H](C)NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000043583084 175070366 /nfs/dbraw/zinc/07/03/66/175070366.db2.gz ZYORXURURJXAFD-ZDUSSCGKSA-N 1 0 290.382 2.835 10 30 CFEERO CCCC[N@H+](Cc1ccc(C#CCO)s1)C1CC1 ZINC000043678168 175089003 /nfs/dbraw/zinc/08/90/03/175089003.db2.gz HMVZXRRINHOXJY-UHFFFAOYSA-N 1 0 263.406 2.856 10 30 CFEERO CCC[NH+](CCC)Cc1sccc1C#CCO ZINC000043678975 175089750 /nfs/dbraw/zinc/08/97/50/175089750.db2.gz DDDIWMZWKFDMJM-UHFFFAOYSA-N 1 0 251.395 2.714 10 30 CFEERO CC[C@@H](C)C[N@H+](C)Cc1ccc(C#CCCO)s1 ZINC000043679553 175090511 /nfs/dbraw/zinc/09/05/11/175090511.db2.gz NZCANVWFSQNOIC-CYBMUJFWSA-N 1 0 265.422 2.960 10 30 CFEERO CC[C@@H](C)[N@H+](CC)Cc1sccc1C#CCO ZINC000043679460 175090527 /nfs/dbraw/zinc/09/05/27/175090527.db2.gz ROXIAICCQJXQLN-GFCCVEGCSA-N 1 0 251.395 2.712 10 30 CFEERO CC[N@@H+](Cc1ccc(C#CCCO)s1)CC(C)C ZINC000043679364 175090634 /nfs/dbraw/zinc/09/06/34/175090634.db2.gz LINIHYNABIKAOA-UHFFFAOYSA-N 1 0 265.422 2.960 10 30 CFEERO CCC(CC)[N@H+](CCOC)Cc1sccc1C#CCO ZINC000043682043 175091010 /nfs/dbraw/zinc/09/10/10/175091010.db2.gz MORHJCKIXATOJB-UHFFFAOYSA-N 1 0 295.448 2.729 10 30 CFEERO [NH3+]CC#Cc1ccsc1COc1ccc([N+](=O)[O-])cc1 ZINC000043685342 175094167 /nfs/dbraw/zinc/09/41/67/175094167.db2.gz LJYQQSWWTVIDNQ-UHFFFAOYSA-N 1 0 288.328 2.546 10 30 CFEERO CN(Cc1cc(C#CC[NH3+])cs1)c1ccccc1 ZINC000043688796 175095974 /nfs/dbraw/zinc/09/59/74/175095974.db2.gz ZKHQDQVKDNBKBZ-UHFFFAOYSA-N 1 0 256.374 2.695 10 30 CFEERO [NH3+]CC#Cc1csc(COc2ccccc2F)c1 ZINC000043689250 175096201 /nfs/dbraw/zinc/09/62/01/175096201.db2.gz RDNLKLAYDCLMLT-UHFFFAOYSA-N 1 0 261.321 2.776 10 30 CFEERO [NH3+]CC#Cc1csc(CN(Cc2ccco2)C2CC2)c1 ZINC000043689125 175096292 /nfs/dbraw/zinc/09/62/92/175096292.db2.gz CWMTYCKWYHQWQF-UHFFFAOYSA-N 1 0 286.400 2.816 10 30 CFEERO C=CCNC(=O)[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000044387932 175170198 /nfs/dbraw/zinc/17/01/98/175170198.db2.gz LYHYYNLGVRJVDL-ZDUSSCGKSA-N 1 0 260.381 2.590 10 30 CFEERO CC1(NC(=O)c2ccc(C#CC[NH3+])cc2F)CCCCC1 ZINC000045047655 175296981 /nfs/dbraw/zinc/29/69/81/175296981.db2.gz YEEFPTYJCCTIJJ-UHFFFAOYSA-N 1 0 288.366 2.589 10 30 CFEERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000045171559 175321120 /nfs/dbraw/zinc/32/11/20/175321120.db2.gz XIUFQJYXIYOXKO-LLVKDONJSA-N 1 0 268.364 2.759 10 30 CFEERO CC[NH+](CC)CCCN1C(=O)c2c(cccc2F)C1C#N ZINC000071678310 176243071 /nfs/dbraw/zinc/24/30/71/176243071.db2.gz XTWXYQJESIPEKB-CQSZACIVSA-N 1 0 289.354 2.578 10 30 CFEERO CC[C@H](CC[NH3+])CCC(=O)Nc1ccccc1C#N ZINC000079206767 177445952 /nfs/dbraw/zinc/44/59/52/177445952.db2.gz DWILDGXNGXAQSC-LBPRGKRZSA-N 1 0 259.353 2.652 10 30 CFEERO C[C@H]1C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113335589 260666457 /nfs/dbraw/zinc/66/64/57/260666457.db2.gz HZXSXOISPPWGAS-BBRMVZONSA-N 1 0 280.375 2.962 10 30 CFEERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000195300069 262249132 /nfs/dbraw/zinc/24/91/32/262249132.db2.gz KUFCHJJGUZYCGP-KRWDZBQOSA-N 1 0 286.423 2.529 10 30 CFEERO C=C(C)C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105918134 262353353 /nfs/dbraw/zinc/35/33/53/262353353.db2.gz NQTYKWWLRNRPNT-AWEZNQCLSA-N 1 0 280.437 2.629 10 30 CFEERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N ZINC000261593475 274237867 /nfs/dbraw/zinc/23/78/67/274237867.db2.gz ZEBNBSDZDBDGDF-HTQZYQBOSA-N 1 0 257.259 2.725 10 30 CFEERO Cc1cc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)c(C#N)cn1 ZINC000399754123 267301592 /nfs/dbraw/zinc/30/15/92/267301592.db2.gz VWDIEDNGQDHZBO-HNNXBMFYSA-N 1 0 294.402 2.616 10 30 CFEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000229602931 274420522 /nfs/dbraw/zinc/42/05/22/274420522.db2.gz MIYCBLWKGWRXPM-WCBMZHEXSA-N 1 0 284.285 2.524 10 30 CFEERO C[C@H]1CCN(c2ccc(Cl)cc2C#N)C[C@@H]1C[NH3+] ZINC000163961450 274563241 /nfs/dbraw/zinc/56/32/41/274563241.db2.gz LOCZRZCNGUUNLI-JQWIXIFHSA-N 1 0 263.772 2.633 10 30 CFEERO C[C@H]1[C@@H]([NH3+])CCN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000261619171 274638502 /nfs/dbraw/zinc/63/85/02/274638502.db2.gz ULNJLIOVRKVSPG-UFBFGSQYSA-N 1 0 269.270 2.503 10 30 CFEERO CC(C)[NH2+][C@@H]1CCOC[C@@H]1Cc1ccc(C#N)cc1 ZINC000095088425 275657168 /nfs/dbraw/zinc/65/71/68/275657168.db2.gz INVMRSXXEQUPHT-JKSUJKDBSA-N 1 0 258.365 2.504 10 30 CFEERO CC(C)[NH2+][C@H]1CCOC[C@H]1Cc1ccccc1C#N ZINC000095088460 275657342 /nfs/dbraw/zinc/65/73/42/275657342.db2.gz SEAWNCROEKBEMK-CVEARBPZSA-N 1 0 258.365 2.504 10 30 CFEERO CC1(C)CCC[NH2+][C@@H]1CNc1c(C#N)nnc2ccccc21 ZINC000262538361 275816409 /nfs/dbraw/zinc/81/64/09/275816409.db2.gz QRBDFHWFZMZZMO-OAHLLOKOSA-N 1 0 295.390 2.692 10 30 CFEERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000132453932 278314248 /nfs/dbraw/zinc/31/42/48/278314248.db2.gz RPKRJTRBWMDHOL-MWLCHTKSSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCC(C)(C)C#N ZINC000093097815 327104499 /nfs/dbraw/zinc/10/44/99/327104499.db2.gz QJDFWZZPVHCEHI-HUUCEWRRSA-N 1 0 263.429 2.875 10 30 CFEERO C=CC[NH+]1CCC(NC(=O)NC2CCC(CC)CC2)CC1 ZINC000171719401 329079353 /nfs/dbraw/zinc/07/93/53/329079353.db2.gz QRQJHNBLAMKRBH-UHFFFAOYSA-N 1 0 293.455 2.905 10 30 CFEERO CCn1cnnc1[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174839549 329163785 /nfs/dbraw/zinc/16/37/85/329163785.db2.gz WVIKHVQGPFAUAX-AWEZNQCLSA-N 1 0 289.427 2.807 10 30 CFEERO C[NH+]=C(NCC1CCSCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261651287 329974402 /nfs/dbraw/zinc/97/44/02/329974402.db2.gz FCVBFKZVPHXAFJ-GJZGRUSLSA-N 1 0 295.496 2.827 10 30 CFEERO C[NH+]=C(NC[C@@H]1CC1(C)C)N(C)Cc1csc(C)n1 ZINC000261682832 329977598 /nfs/dbraw/zinc/97/75/98/329977598.db2.gz HRYZLRHVCRRPGX-NSHDSACASA-N 1 0 280.441 2.505 10 30 CFEERO Cc1sc(CNC(=[NH2+])Nc2ccccn2)nc1C(C)C ZINC000262503247 330018228 /nfs/dbraw/zinc/01/82/28/330018228.db2.gz ARNXGZRAUYBXBG-UHFFFAOYSA-N 1 0 289.408 2.897 10 30 CFEERO [NH2+]=C(NCC1(C(F)(F)F)CCC1)N1CCCCCC1 ZINC000262667192 330025520 /nfs/dbraw/zinc/02/55/20/330025520.db2.gz PHKUQTCKUNSJRA-UHFFFAOYSA-N 1 0 277.334 2.910 10 30 CFEERO COc1ccccc1[C@@]1(C)C[C@@H]1NC(=[NH2+])NC1CCCC1 ZINC000262681223 330026479 /nfs/dbraw/zinc/02/64/79/330026479.db2.gz SSBCFUCKQGBNIG-DOTOQJQBSA-N 1 0 287.407 2.572 10 30 CFEERO COc1ccc(NC(=[NH2+])NC[C@H]2CC23CC3)cc1Cl ZINC000263068483 330041950 /nfs/dbraw/zinc/04/19/50/330041950.db2.gz GKSDYGSBYMHVLO-SECBINFHSA-N 1 0 279.771 2.875 10 30 CFEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1CCC1(C)C ZINC000263132617 330044936 /nfs/dbraw/zinc/04/49/36/330044936.db2.gz HLDCPVHUTCHFNG-CYBMUJFWSA-N 1 0 261.369 2.748 10 30 CFEERO COCc1ccccc1NC(=[NH2+])N[C@H]1CCC1(C)C ZINC000263132620 330045016 /nfs/dbraw/zinc/04/50/16/330045016.db2.gz HLDCPVHUTCHFNG-ZDUSSCGKSA-N 1 0 261.369 2.748 10 30 CFEERO Cc1ccc([C@H](C)NC(=O)[C@H]([NH3+])CCCC#N)c(C)c1 ZINC000424104637 330233889 /nfs/dbraw/zinc/23/38/89/330233889.db2.gz UZAWQCOTKOZSQT-DZGCQCFKSA-N 1 0 273.380 2.502 10 30 CFEERO C[C@@H](Nc1cccc(OCCCC#N)c1)[C@@H]1CC[NH2+]C1 ZINC000400452846 332710746 /nfs/dbraw/zinc/71/07/46/332710746.db2.gz RMZGVENLQKXTKB-ZIAGYGMSSA-N 1 0 273.380 2.779 10 30 CFEERO C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cc1 ZINC000218998776 333139907 /nfs/dbraw/zinc/13/99/07/333139907.db2.gz HUQAARAILUSCNN-RDJZCZTQSA-N 1 0 275.392 2.892 10 30 CFEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC#Cc1cccc(Cl)c1 ZINC000246099037 334232737 /nfs/dbraw/zinc/23/27/37/334232737.db2.gz KJGNSEJVQZQPNQ-PBHICJAKSA-N 1 0 288.822 2.860 10 30 CFEERO CC(C)C[N@H+](C)Cc1ccc(F)c(C#CCCO)c1 ZINC000049617780 519709083 /nfs/dbraw/zinc/70/90/83/519709083.db2.gz ABYMPBOCFKXPTB-UHFFFAOYSA-N 1 0 263.356 2.647 10 30 CFEERO CCC[NH+]1CCN([C@H](CC#N)c2ccccc2)CC1 ZINC000055020001 519859720 /nfs/dbraw/zinc/85/97/20/519859720.db2.gz OTJRCBHBRUARFO-MRXNPFEDSA-N 1 0 257.381 2.669 10 30 CFEERO CCC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C#CCO)c1 ZINC000049613216 520646881 /nfs/dbraw/zinc/64/68/81/520646881.db2.gz ROMGGMGCDBBNLQ-CQSZACIVSA-N 1 0 275.392 2.659 10 30 CFEERO CC[N@H+](CCOc1cccc(C#CCCO)c1)C(C)C ZINC000049617421 521150805 /nfs/dbraw/zinc/15/08/05/521150805.db2.gz XANFDHLMCHSIKB-UHFFFAOYSA-N 1 0 275.392 2.530 10 30 CFEERO CC[C@@H](C)C[N@H+](C)Cc1cccc(C#CCCO)c1 ZINC000049617919 521970423 /nfs/dbraw/zinc/97/04/23/521970423.db2.gz XTMREZJYJPIQSN-OAHLLOKOSA-N 1 0 259.393 2.898 10 30 CFEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CC)C1CCCCC1 ZINC000052339439 518923613 /nfs/dbraw/zinc/92/36/13/518923613.db2.gz BDDIWZDKEXJNHH-JSGCOSHPSA-N 1 0 252.402 2.626 10 30 CFEERO C=CCOc1cc(C[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000050517146 519007264 /nfs/dbraw/zinc/00/72/64/519007264.db2.gz LMFZTBLOWXVGHV-UHFFFAOYSA-N 1 0 250.298 2.658 10 30 CFEERO CC#CCOc1ccc(Br)cc1C[C@H](C)[NH3+] ZINC000051666038 519344075 /nfs/dbraw/zinc/34/40/75/519344075.db2.gz KVXABIZVNWOYQM-JTQLQIEISA-N 1 0 282.181 2.741 10 30 CFEERO CC(C)CSCCOc1cccc(C#CC[NH3+])c1 ZINC000049611459 519769518 /nfs/dbraw/zinc/76/95/18/519769518.db2.gz GKBGGLBPRMTEKW-UHFFFAOYSA-N 1 0 263.406 2.765 10 30 CFEERO CC(C)[C@@H]([NH3+])CCN(C)c1cc(C#N)c2ccccc2n1 ZINC000156802828 519796474 /nfs/dbraw/zinc/79/64/74/519796474.db2.gz IQNQGTCXCVVUJF-HNNXBMFYSA-N 1 0 282.391 2.916 10 30 CFEERO CC(C)c1csc(NC(=O)c2cccc(C#CC[NH3+])c2)n1 ZINC000049239582 519856865 /nfs/dbraw/zinc/85/68/65/519856865.db2.gz SQDJUWKYFWQHBF-UHFFFAOYSA-N 1 0 299.399 2.829 10 30 CFEERO CCCC[N@H+](Cc1ccc(C#CCO)cc1F)C1CC1 ZINC000049613883 520544967 /nfs/dbraw/zinc/54/49/67/520544967.db2.gz LFPIEYPWBQYLHT-UHFFFAOYSA-N 1 0 275.367 2.934 10 30 CFEERO CC[N@@H+](Cc1ccc(C#CCCO)cc1)CC1CC1 ZINC000069239044 521294658 /nfs/dbraw/zinc/29/46/58/521294658.db2.gz WOHWXVVIJGRZQX-UHFFFAOYSA-N 1 0 257.377 2.652 10 30 CFEERO CC[C@@H](C)C[N@H+](C)Cc1ccccc1C#CCCO ZINC000049617863 521971037 /nfs/dbraw/zinc/97/10/37/521971037.db2.gz QRYDQGOHQNAYCD-OAHLLOKOSA-N 1 0 259.393 2.898 10 30 CFEERO CC[C@@H](C)[N@H+](C)CCOc1cccc(C#CCCO)c1 ZINC000049617163 522063619 /nfs/dbraw/zinc/06/36/19/522063619.db2.gz MDIOWZFCUDFOBF-OAHLLOKOSA-N 1 0 275.392 2.530 10 30 CFEERO CC[C@@H](C)[NH+]1CCN([C@@H]2CCCCC[C@@H]2C#N)CC1 ZINC000055066467 522128841 /nfs/dbraw/zinc/12/88/41/522128841.db2.gz YVKWSSDXMYMZJT-BZUAXINKSA-N 1 0 263.429 2.875 10 30 CFEERO CC[C@H]1CCCC[C@H]1NC(=O)c1ccccc1C#CC[NH3+] ZINC000049124764 523058194 /nfs/dbraw/zinc/05/81/94/523058194.db2.gz CAVDVQKHPMCLOH-WMLDXEAASA-N 1 0 284.403 2.695 10 30 CFEERO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#CCO)c1 ZINC000049617507 523179314 /nfs/dbraw/zinc/17/93/14/523179314.db2.gz PJISRZBGMJOENS-MRXNPFEDSA-N 1 0 275.367 2.934 10 30 CFEERO CN(Cc1ccc(C#CC[NH3+])cc1F)c1ccccc1 ZINC000049608423 523205247 /nfs/dbraw/zinc/20/52/47/523205247.db2.gz PVQFLUWEVZQKRD-UHFFFAOYSA-N 1 0 268.335 2.772 10 30 CFEERO C[N@H+](Cc1ccc(F)cc1C#CCO)C1CCCC1 ZINC000049617549 523254338 /nfs/dbraw/zinc/25/43/38/523254338.db2.gz ZDQGNLOTSVLROS-UHFFFAOYSA-N 1 0 261.340 2.544 10 30 CFEERO CN(Cc1cccc(C#CC[NH3+])c1)Cc1ccccc1F ZINC000049609731 523290458 /nfs/dbraw/zinc/29/04/58/523290458.db2.gz AEJHTDBHKWYMHG-UHFFFAOYSA-N 1 0 282.362 2.768 10 30 CFEERO C[N@H+](Cc1cccc(F)c1)Cc1ccccc1C#CCO ZINC000049617080 523311513 /nfs/dbraw/zinc/31/15/13/523311513.db2.gz XOAAGBWQGQAMHC-UHFFFAOYSA-N 1 0 283.346 2.802 10 30 CFEERO C[N@H+](Cc1ccsc1)Cc1ccc(C#CCO)cc1 ZINC000049618156 523485099 /nfs/dbraw/zinc/48/50/99/523485099.db2.gz VPVHUXYUKBZVTR-UHFFFAOYSA-N 1 0 271.385 2.724 10 30 CFEERO CN(c1ccc(C#N)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000062791331 523634029 /nfs/dbraw/zinc/63/40/29/523634029.db2.gz FRGIHWWYLZTOCB-FUNVUKJBSA-N 1 0 275.783 2.931 10 30 CFEERO COCC[N@H+](CC1(C=O)CCCCC1)[C@@H](C)C1CC1 ZINC000051179024 523689011 /nfs/dbraw/zinc/68/90/11/523689011.db2.gz MOFLMQLVSUVIRW-AWEZNQCLSA-N 1 0 267.413 2.883 10 30 CFEERO COCC[NH2+]Cc1cc(Cl)ccc1OCCCC#N ZINC000062731062 523949354 /nfs/dbraw/zinc/94/93/54/523949354.db2.gz DBFGJVIQLPTBPI-UHFFFAOYSA-N 1 0 282.771 2.759 10 30 CFEERO COc1ccc(C[N@H+](C)CCC(C)C)cc1C#CCCO ZINC000049614888 524002460 /nfs/dbraw/zinc/00/24/60/524002460.db2.gz MEOATPFMTWGXBQ-UHFFFAOYSA-N 1 0 289.419 2.907 10 30 CFEERO COc1ccc(COCc2ccccc2)cc1C#CC[NH3+] ZINC000049610345 524117470 /nfs/dbraw/zinc/11/74/70/524117470.db2.gz GGRISGJJQXZBHV-UHFFFAOYSA-N 1 0 281.355 2.722 10 30 CFEERO COc1ccc(COc2cccc(F)c2)cc1C#CC[NH3+] ZINC000049610563 524119663 /nfs/dbraw/zinc/11/96/63/524119663.db2.gz AZSQOUOIBXAZND-UHFFFAOYSA-N 1 0 285.318 2.724 10 30 CFEERO COc1ccc(COc2ccccc2F)cc1C#CC[NH3+] ZINC000049610449 524122034 /nfs/dbraw/zinc/12/20/34/524122034.db2.gz DABPPMICVDOSHD-UHFFFAOYSA-N 1 0 285.318 2.724 10 30 CFEERO C[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#CCO)c2)[C@@H]1C ZINC000050566735 524235453 /nfs/dbraw/zinc/23/54/53/524235453.db2.gz WKRVFUFYXJDHOM-ZIAGYGMSSA-N 1 0 275.367 2.790 10 30 CFEERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1ccc(C#N)cc1Cl ZINC000063196481 525008523 /nfs/dbraw/zinc/00/85/23/525008523.db2.gz BHCYAMGLJGSEFH-MFKMUULPSA-N 1 0 263.772 2.918 10 30 CFEERO Cc1ccccc1C[N@H+](C)Cc1ccc(C#CCO)cc1 ZINC000049614468 525128009 /nfs/dbraw/zinc/12/80/09/525128009.db2.gz KRLWUXVESKOVPS-UHFFFAOYSA-N 1 0 279.383 2.971 10 30 CFEERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C#CCO)C1 ZINC000049616631 525210034 /nfs/dbraw/zinc/21/00/34/525210034.db2.gz SSSHNHYEWODGMD-HUUCEWRRSA-N 1 0 257.377 2.508 10 30 CFEERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C#CCCO)cc2)C1 ZINC000049616611 525210447 /nfs/dbraw/zinc/21/04/47/525210447.db2.gz IYFWVIFWQGKGCF-HZPDHXFCSA-N 1 0 271.404 2.898 10 30 CFEERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000049616608 525383660 /nfs/dbraw/zinc/38/36/60/525383660.db2.gz IYFWVIFWQGKGCF-IYBDPMFKSA-N 1 0 271.404 2.898 10 30 CFEERO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@@H]1CCCO1 ZINC000162617920 525519233 /nfs/dbraw/zinc/51/92/33/525519233.db2.gz CBLXZJNDKUITAJ-YGRLFVJLSA-N 1 0 264.756 2.869 10 30 CFEERO Cc1ccc([C@H](C)NC(=O)c2ccccc2C#CC[NH3+])s1 ZINC000049189288 525913213 /nfs/dbraw/zinc/91/32/13/525913213.db2.gz FHQGGTQITZXONH-ZDUSSCGKSA-N 1 0 298.411 2.858 10 30 CFEERO Cc1ccc(C#N)c(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000051579135 525993437 /nfs/dbraw/zinc/99/34/37/525993437.db2.gz FBJIOOHKWIYYLS-ZDUSSCGKSA-N 1 0 255.365 2.763 10 30 CFEERO Cc1ccc(C#N)cc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000050430438 525998173 /nfs/dbraw/zinc/99/81/73/525998173.db2.gz LPIVCHWXTPFTDP-ZDUSSCGKSA-N 1 0 271.364 2.585 10 30 CFEERO Cc1ccc(C#N)cc1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000050430424 526002421 /nfs/dbraw/zinc/00/24/21/526002421.db2.gz WIDNCXLPIIFLFO-OAHLLOKOSA-N 1 0 265.316 2.505 10 30 CFEERO Cc1ccc(C#N)cc1NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000050430451 526004978 /nfs/dbraw/zinc/00/49/78/526004978.db2.gz PYNVRWAGEIBQFV-IJEWVQPXSA-N 1 0 283.375 2.726 10 30 CFEERO Cc1nn(Cc2sccc2C#CC[NH3+])c(C)c1Cl ZINC000050587895 526300408 /nfs/dbraw/zinc/30/04/08/526300408.db2.gz FQCLCWRHWMRUGU-UHFFFAOYSA-N 1 0 279.796 2.573 10 30 CFEERO N#C[C@@H]1CCCCC[C@@H]1[N@H+]1CCC[C@@H]1CCCO ZINC000052759642 526498472 /nfs/dbraw/zinc/49/84/72/526498472.db2.gz VYJIUKRRJCWPSO-ZNMIVQPWSA-N 1 0 250.386 2.696 10 30 CFEERO N#Cc1cccc(COc2cc(C[NH3+])ccc2[N+](=O)[O-])c1 ZINC000050516223 526710858 /nfs/dbraw/zinc/71/08/58/526710858.db2.gz CITMUKRSTXAFJG-UHFFFAOYSA-N 1 0 283.287 2.504 10 30 CFEERO N#Cc1cnc2ccccc2c1OCC[C@@H]1CCC[NH2+]C1 ZINC000051918386 526777470 /nfs/dbraw/zinc/77/74/70/526777470.db2.gz IOFGYZAJSKTSLR-ZDUSSCGKSA-N 1 0 281.359 2.875 10 30 CFEERO O=CC1(C[N@@H+]2CCC[C@H]2C2CCCC2)CCOCC1 ZINC000052180178 527139380 /nfs/dbraw/zinc/13/93/80/527139380.db2.gz ZAUHJYNUPCATSM-HNNXBMFYSA-N 1 0 265.397 2.637 10 30 CFEERO [NH3+]CC#Cc1cccc(CNC(=O)c2cccc(Cl)c2)c1 ZINC000049586510 527152376 /nfs/dbraw/zinc/15/23/76/527152376.db2.gz SLOZZMGFBNHWDG-UHFFFAOYSA-N 1 0 298.773 2.580 10 30 CFEERO OCC#Cc1ccc(OCC[NH+]2CCCCCCC2)cc1 ZINC000049617059 527519714 /nfs/dbraw/zinc/51/97/14/527519714.db2.gz SJESLLLCUPWHQT-UHFFFAOYSA-N 1 0 287.403 2.675 10 30 CFEERO OCCC#Cc1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000050911922 527531688 /nfs/dbraw/zinc/53/16/88/527531688.db2.gz NMOKFDDMJBSPCO-UHFFFAOYSA-N 1 0 277.367 2.936 10 30 CFEERO CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CCCCNC1=O ZINC000329223952 528231890 /nfs/dbraw/zinc/23/18/90/528231890.db2.gz YVLYRPPFDSRCTP-KBPBESRZSA-N 1 0 295.427 2.964 10 30 CFEERO C[C@H]1CCC[N@H+](Cc2cc(C#CCO)cs2)[C@H]1C ZINC000252119558 574283668 /nfs/dbraw/zinc/28/36/68/574283668.db2.gz JCLLSFMRACNGFA-STQMWFEESA-N 1 0 263.406 2.712 10 30 CFEERO C[C@H](Nc1nc2c(cc1C#N)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000050164304 618082888 /nfs/dbraw/zinc/08/28/88/618082888.db2.gz TZTXADRUZBIVAA-GXTWGEPZSA-N 1 0 284.407 2.632 10 30 CFEERO CCCCCCCC[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177250004 618821354 /nfs/dbraw/zinc/82/13/54/618821354.db2.gz WGVIMIUSFYOTFG-IAGOWNOFSA-N 1 0 282.472 2.999 10 30 CFEERO C#CCC[NH2+]Cc1ccc(Br)c(C)c1 ZINC000085706981 620392261 /nfs/dbraw/zinc/39/22/61/620392261.db2.gz LXAROEPPVXAEDD-UHFFFAOYSA-N 1 0 252.155 2.870 10 30 CFEERO CCN(c1ccc(C(F)(F)F)cc1C#N)[C@@H]1CC[NH2+]C1 ZINC000071314274 625495493 /nfs/dbraw/zinc/49/54/93/625495493.db2.gz FISPTNJJDYSRFL-GFCCVEGCSA-N 1 0 283.297 2.765 10 30 CFEERO C[C@H]([NH3+])[C@@H]1CCCN(c2nc3ccccc3cc2C#N)C1 ZINC000071386198 625510548 /nfs/dbraw/zinc/51/05/48/625510548.db2.gz DGQFIMCXHNTXKI-GXTWGEPZSA-N 1 0 280.375 2.670 10 30 CFEERO CCN(c1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000164084950 622935768 /nfs/dbraw/zinc/93/57/68/622935768.db2.gz NOIGVHZRYASNHN-GFCCVEGCSA-N 1 0 283.297 2.765 10 30 CFEERO CCCCCCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000157986597 623086282 /nfs/dbraw/zinc/08/62/82/623086282.db2.gz XDTFMAXSKYTNTA-OAHLLOKOSA-N 1 0 265.401 2.554 10 30 CFEERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(Br)cc1C#N ZINC000229256353 623193714 /nfs/dbraw/zinc/19/37/14/623193714.db2.gz FZCGDZJHZFSGKF-BXKDBHETSA-N 1 0 294.196 2.873 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N(C)Cc1cccc(Cl)c1 ZINC000073780725 626388319 /nfs/dbraw/zinc/38/83/19/626388319.db2.gz KJZOFMFSIHQQHW-ZWNOBZJWSA-N 1 0 265.788 2.756 10 30 CFEERO C#CCCOc1ccc(C[NH2+][C@H]2CCCN(CC)C2)cc1 ZINC000113326618 635554155 /nfs/dbraw/zinc/55/41/55/635554155.db2.gz TYHRARAZDRDKGH-KRWDZBQOSA-N 1 0 286.419 2.663 10 30 CFEERO CCCCCCCCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000115061906 635964089 /nfs/dbraw/zinc/96/40/89/635964089.db2.gz SWSDDHKCWSWSKK-KBPBESRZSA-N 1 0 254.418 2.981 10 30 CFEERO CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1C[C@H]1C ZINC000246063360 650850592 /nfs/dbraw/zinc/85/05/92/650850592.db2.gz FWVYMVQWZJLEME-VNHYZAJKSA-N 1 0 287.407 2.516 10 30 CFEERO N#Cc1c(F)cccc1N1CCC([NH2+]CC2CC2)CC1 ZINC000133700726 646210990 /nfs/dbraw/zinc/21/09/90/646210990.db2.gz ABKRKQFTAGVSLY-UHFFFAOYSA-N 1 0 273.355 2.666 10 30 CFEERO C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C[NH2+]1 ZINC000034575204 648743332 /nfs/dbraw/zinc/74/33/32/648743332.db2.gz XSUSILNKXHRYEW-ZJUUUORDSA-N 1 0 283.297 2.764 10 30 CFEERO N#Cc1ccc(N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000594693208 349474569 /nfs/dbraw/zinc/47/45/69/349474569.db2.gz LKWSFDLKSCCOLK-INIZCTEOSA-N 1 0 269.392 2.774 10 30 CFEERO N#Cc1ccc(N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000594696652 349475760 /nfs/dbraw/zinc/47/57/60/349475760.db2.gz JIJUGNACIIALGK-INIZCTEOSA-N 1 0 269.392 2.774 10 30 CFEERO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000127701897 187327788 /nfs/dbraw/zinc/32/77/88/187327788.db2.gz VSTLGGDKTSFFFV-SJORKVTESA-N 1 0 296.374 2.542 10 30 CFEERO N#Cc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000127949056 187342869 /nfs/dbraw/zinc/34/28/69/187342869.db2.gz FCNANJVGYKBAPO-IAGOWNOFSA-N 1 0 270.376 2.685 10 30 CFEERO Cc1c(-c2cccc(C#N)c2)ccc2[nH+]c(N)nc(N)c12 ZINC000085389535 179048118 /nfs/dbraw/zinc/04/81/18/179048118.db2.gz KBXRTMDOJGCXSF-UHFFFAOYSA-N 1 0 275.315 2.641 10 30 CFEERO C=CCCCCCN(C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000119612864 347802853 /nfs/dbraw/zinc/80/28/53/347802853.db2.gz GYFJNNPHGVHRFN-HNNXBMFYSA-N 1 0 281.444 2.859 10 30 CFEERO CCCCC[C@H](C#CC[NH+](CC)CC)OC(C)=O ZINC000144338727 347940699 /nfs/dbraw/zinc/94/06/99/347940699.db2.gz WOWBCSYGICCHLZ-OAHLLOKOSA-N 1 0 253.386 2.844 10 30 CFEERO C#CC[C@H]([NH2+]C)c1cc(F)ccc1Br ZINC000168572058 348049171 /nfs/dbraw/zinc/04/91/71/348049171.db2.gz YTFCFSUMMNEMFF-NSHDSACASA-N 1 0 256.118 2.872 10 30 CFEERO Cc1c(F)cc(C#N)cc1N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086818241 179346969 /nfs/dbraw/zinc/34/69/69/179346969.db2.gz FGENPUCXXLFSCH-CYBMUJFWSA-N 1 0 261.344 2.902 10 30 CFEERO C=C[C@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000128721232 187386493 /nfs/dbraw/zinc/38/64/93/187386493.db2.gz FNAJFHSXMCRFBB-ZBFHGGJFSA-N 1 0 272.392 2.509 10 30 CFEERO CC[C@@H]1CN(c2cc(Cl)ccc2C#N)CC[C@H]1[NH3+] ZINC000251832510 348294038 /nfs/dbraw/zinc/29/40/38/348294038.db2.gz QBKSSFRHTWYAPO-ZWNOBZJWSA-N 1 0 263.772 2.775 10 30 CFEERO CC(C)[NH+](Cc1cc(C#CCO)cs1)C(C)C ZINC000725273757 539629776 /nfs/dbraw/zinc/62/97/76/539629776.db2.gz ABXFLEYBGPZLRW-UHFFFAOYSA-N 1 0 251.395 2.711 10 30 CFEERO C[C@@H](C#N)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390870224 348544322 /nfs/dbraw/zinc/54/43/22/348544322.db2.gz RBFXVABWSINLHF-MIGBEJBISA-N 1 0 283.419 2.931 10 30 CFEERO CC[C@H]([NH3+])[C@H](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000584645044 348700822 /nfs/dbraw/zinc/70/08/22/348700822.db2.gz KDPMCJNEIJLNBA-RNCFNFMXSA-N 1 0 279.771 2.914 10 30 CFEERO CCCC[NH+](CCCC)C[C@]1(C=O)CCCOC1 ZINC000104317345 185966748 /nfs/dbraw/zinc/96/67/48/185966748.db2.gz FDUYKEOBCIMLCF-HNNXBMFYSA-N 1 0 255.402 2.884 10 30 CFEERO Cc1ccccc1[C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594425904 349418041 /nfs/dbraw/zinc/41/80/41/349418041.db2.gz MSQRVJILIGEQRW-DZGCQCFKSA-N 1 0 273.380 2.584 10 30 CFEERO CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594428295 349418548 /nfs/dbraw/zinc/41/85/48/349418548.db2.gz MHNZEOROUWCHRT-HUUCEWRRSA-N 1 0 273.380 2.665 10 30 CFEERO C[C@@H]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C[NH2+]1 ZINC000600954750 350636651 /nfs/dbraw/zinc/63/66/51/350636651.db2.gz HMFRYPKPPZMEAA-PSASIEDQSA-N 1 0 284.285 2.524 10 30 CFEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1cc(Cl)ccc1C#N)C2 ZINC000600956740 350636670 /nfs/dbraw/zinc/63/66/70/350636670.db2.gz ZAGZGRBVJYEJMD-GASCZTMLSA-N 1 0 275.783 2.647 10 30 CFEERO N#Cc1ccc(N2CCCCC[C@H]([NH3+])C2)cc1Cl ZINC000600959233 350637043 /nfs/dbraw/zinc/63/70/43/350637043.db2.gz UQFUMNKADKCCLR-LBPRGKRZSA-N 1 0 263.772 2.919 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CC[NH2+]C1 ZINC000133783482 187706723 /nfs/dbraw/zinc/70/67/23/187706723.db2.gz ULZORBXZGGALEA-SECBINFHSA-N 1 0 269.270 2.598 10 30 CFEERO C=CCC(CC=C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000153161897 188069044 /nfs/dbraw/zinc/06/90/44/188069044.db2.gz DORNJJWDSQKSMT-ZFWWWQNUSA-N 1 0 264.413 2.600 10 30 CFEERO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000094337548 283136926 /nfs/dbraw/zinc/13/69/26/283136926.db2.gz SWQVAUMMQMIVKX-PSASIEDQSA-N 1 0 284.285 2.511 10 30 CFEERO N#Cc1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000228551583 283170893 /nfs/dbraw/zinc/17/08/93/283170893.db2.gz RPWGHDMJOJVTEK-NJZAAPMLSA-N 1 0 275.783 2.775 10 30 CFEERO N#Cc1cnc2ccccc2c1N1CCC[C@@H](CC[NH3+])C1 ZINC000070171277 283242086 /nfs/dbraw/zinc/24/20/86/283242086.db2.gz XWCDFRKDVNMWIK-ZDUSSCGKSA-N 1 0 280.375 2.672 10 30 CFEERO C[C@@H]1CC(C[NH2+]Cc2ccc(C#N)s2)C[C@@H](C)O1 ZINC000282044669 540980712 /nfs/dbraw/zinc/98/07/12/540980712.db2.gz AKIDSVCLVPPUDO-GHMZBOCLSA-N 1 0 264.394 2.913 10 30 CFEERO C=C(Cl)CC(=O)[C@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685959348 541473533 /nfs/dbraw/zinc/47/35/33/541473533.db2.gz SHYHIQUPKOGAQD-BXUZGUMPSA-N 1 0 267.756 2.631 10 30 CFEERO C[NH+](C)C[C@H](NC(=O)c1sccc1C#N)c1ccccc1 ZINC000052029278 373430406 /nfs/dbraw/zinc/43/04/06/373430406.db2.gz FNRYAPQZXWRPEW-AWEZNQCLSA-N 1 0 299.399 2.652 10 30 CFEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)[NH2+]C ZINC000054074758 373495759 /nfs/dbraw/zinc/49/57/59/373495759.db2.gz OYSMDKCDEAGSKV-SECBINFHSA-N 1 0 272.801 2.524 10 30 CFEERO C=CCC[C@@H](C[NH+]1CCSCC1)Oc1ccnc(C)n1 ZINC000072431437 374251483 /nfs/dbraw/zinc/25/14/83/374251483.db2.gz XPDPHCVAADTIHM-AWEZNQCLSA-N 1 0 293.436 2.547 10 30 CFEERO C=CCC[C@H](C[N@@H+](C)Cc1cccnc1)Oc1cnccn1 ZINC000072480464 374256305 /nfs/dbraw/zinc/25/63/05/374256305.db2.gz DTZYWFRGBFDUFK-MRXNPFEDSA-N 1 0 298.390 2.717 10 30 CFEERO C=CCC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)C1CC1 ZINC000090224809 375005753 /nfs/dbraw/zinc/00/57/53/375005753.db2.gz WAFGQGHDXNEQAN-KBPBESRZSA-N 1 0 260.385 2.756 10 30 CFEERO N#Cc1ccc(Cl)cc1N1CCC(OCCC[NH3+])CC1 ZINC000094073391 375339838 /nfs/dbraw/zinc/33/98/38/375339838.db2.gz FRIAFQYGDAQHHK-UHFFFAOYSA-N 1 0 293.798 2.546 10 30 CFEERO CC(C)C[C@@H](C[NH3+])Nc1ccc(C#N)c(Cl)c1 ZINC000111830534 375872732 /nfs/dbraw/zinc/87/27/32/375872732.db2.gz SOWSIKFSIDBQIV-LBPRGKRZSA-N 1 0 251.761 2.997 10 30 CFEERO N#Cc1cc(C[NH+]2CCC(Cn3cccn3)CC2)ccc1F ZINC000120136040 376554844 /nfs/dbraw/zinc/55/48/44/376554844.db2.gz FDVWCJRPZHYZTQ-UHFFFAOYSA-N 1 0 298.365 2.806 10 30 CFEERO CCc1nccn1[C@H]1CCCN(c2cccc(C#N)n2)C1 ZINC000122935559 376942402 /nfs/dbraw/zinc/94/24/02/376942402.db2.gz MRDRJLKIHZTZTN-AWEZNQCLSA-N 1 0 281.363 2.554 10 30 CFEERO C=CCOc1cccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000128416624 377334126 /nfs/dbraw/zinc/33/41/26/377334126.db2.gz WFACRMYIZGTTSA-MRXNPFEDSA-N 1 0 297.402 2.974 10 30 CFEERO C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000127323442 377275737 /nfs/dbraw/zinc/27/57/37/377275737.db2.gz ZUSZMNVIWLLPHE-GFCCVEGCSA-N 1 0 288.819 2.976 10 30 CFEERO Cc1cc(NCC[NH+]2CCC(C)CC2)c(C#N)c(C)n1 ZINC000133754809 377955299 /nfs/dbraw/zinc/95/52/99/377955299.db2.gz VSRYSFWPVGWEOB-UHFFFAOYSA-N 1 0 272.396 2.714 10 30 CFEERO C=CCCCN(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000135094771 378081978 /nfs/dbraw/zinc/08/19/78/378081978.db2.gz ZOIWFVXDTYBBQH-INIZCTEOSA-N 1 0 274.408 2.584 10 30 CFEERO CN1C(=S)SC(C)(C)[C@H]1/[N+](O)=C/c1ccccc1 ZINC000149673769 378265222 /nfs/dbraw/zinc/26/52/22/378265222.db2.gz YTGYYFRHHWFFEK-PDICVPPASA-N 1 0 281.426 2.575 10 30 CFEERO C=CCC(CC=C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000151058556 378289869 /nfs/dbraw/zinc/28/98/69/378289869.db2.gz OHZSUHJETAKOTO-HZPDHXFCSA-N 1 0 276.424 2.840 10 30 CFEERO C=CCC(CC=C)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000151172045 378304159 /nfs/dbraw/zinc/30/41/59/378304159.db2.gz AFFAHJLYBLWJMA-OAHLLOKOSA-N 1 0 264.413 2.698 10 30 CFEERO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152495559 378421609 /nfs/dbraw/zinc/42/16/09/378421609.db2.gz HBWDEYHQMVLGFK-KRWDZBQOSA-N 1 0 279.343 2.607 10 30 CFEERO Cc1cc(OCc2ccccc2)ccc1C#CC[NH3+] ZINC000157384347 378654502 /nfs/dbraw/zinc/65/45/02/378654502.db2.gz BMCLTOGZCLOTCX-UHFFFAOYSA-N 1 0 251.329 2.884 10 30 CFEERO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160372483 378767237 /nfs/dbraw/zinc/76/72/37/378767237.db2.gz BFLJRWJAKRIVBR-MRXNPFEDSA-N 1 0 278.440 2.991 10 30 CFEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(F)ccc1C#N ZINC000160934672 378812175 /nfs/dbraw/zinc/81/21/75/378812175.db2.gz UCJSWMKLFOBCBP-INIZCTEOSA-N 1 0 275.371 2.613 10 30 CFEERO Cc1cc(C#N)ccc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000163012774 378949310 /nfs/dbraw/zinc/94/93/10/378949310.db2.gz NEFNMMJUPGXWCB-OAHLLOKOSA-N 1 0 287.407 2.573 10 30 CFEERO C[NH2+][C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000164075401 379004023 /nfs/dbraw/zinc/00/40/23/379004023.db2.gz UOVQNOOZFBZTIQ-LLVKDONJSA-N 1 0 283.297 2.765 10 30 CFEERO N#CCc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000334419602 379266464 /nfs/dbraw/zinc/26/64/64/379266464.db2.gz QCIXSMHOWJHNTB-IRXDYDNUSA-N 1 0 270.376 2.896 10 30 CFEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cn2ccccc2c1C#N ZINC000175353137 380050076 /nfs/dbraw/zinc/05/00/76/380050076.db2.gz UYVMYCYQRVWEMX-MRXNPFEDSA-N 1 0 296.418 2.727 10 30 CFEERO C[C@@H]([NH2+]CCCSCC#N)c1ccc2c(c1)OCCO2 ZINC000181757421 380885099 /nfs/dbraw/zinc/88/50/99/380885099.db2.gz DBKOKUKGUBMSBQ-GFCCVEGCSA-N 1 0 292.404 2.755 10 30 CFEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)cc1C#N ZINC000187039291 382082822 /nfs/dbraw/zinc/08/28/22/382082822.db2.gz XSGOQECZFXMTRB-MLGOLLRUSA-N 1 0 289.810 2.880 10 30 CFEERO N#Cc1cc(N[C@H](CC[NH3+])C(F)F)nc2ccccc12 ZINC000383317840 382543414 /nfs/dbraw/zinc/54/34/14/382543414.db2.gz REOSYASAXWQXCS-GFCCVEGCSA-N 1 0 276.290 2.501 10 30 CFEERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(C(F)(F)F)cc1C#N ZINC000389716760 382616093 /nfs/dbraw/zinc/61/60/93/382616093.db2.gz AIMFYGSYPILKOB-TVQRCGJNSA-N 1 0 283.297 2.987 10 30 CFEERO N#Cc1cccnc1N[C@@H](CCC[NH3+])c1ccccc1 ZINC000336834273 382727944 /nfs/dbraw/zinc/72/79/44/382727944.db2.gz HREIRGVQMZVNSX-HNNXBMFYSA-N 1 0 266.348 2.845 10 30 CFEERO FC(F)(F)C(F)(C1CC[NH2+]CC1)C(F)(F)F ZINC000575433892 382770906 /nfs/dbraw/zinc/77/09/06/382770906.db2.gz UFSALRMVNSZTOL-UHFFFAOYSA-N 1 0 253.161 2.819 10 30 CFEERO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246072800 383060781 /nfs/dbraw/zinc/06/07/81/383060781.db2.gz DORNJJWDSQKSMT-DZGCQCFKSA-N 1 0 264.413 2.600 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC#Cc1ccc(F)cc1 ZINC000246138916 383063502 /nfs/dbraw/zinc/06/35/02/383063502.db2.gz RWOBIOFHPMQQOF-MSOLQXFVSA-N 1 0 286.394 2.736 10 30 CFEERO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000248282387 383222172 /nfs/dbraw/zinc/22/21/72/383222172.db2.gz VSTLGGDKTSFFFV-IRXDYDNUSA-N 1 0 296.374 2.542 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)s1 ZINC000248415788 383238705 /nfs/dbraw/zinc/23/87/05/383238705.db2.gz OPCJFBFSTKJJEX-OLZOCXBDSA-N 1 0 275.421 2.678 10 30 CFEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)c(F)c1 ZINC000248801421 383291355 /nfs/dbraw/zinc/29/13/55/383291355.db2.gz ABKVLCMARHIOPR-CVEARBPZSA-N 1 0 287.382 2.756 10 30 CFEERO C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251524605 383388899 /nfs/dbraw/zinc/38/88/99/383388899.db2.gz ABXFKFVSDVPLHY-NOZJJQNGSA-N 1 0 283.297 2.751 10 30 CFEERO C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C[C@H]1C[NH3+] ZINC000253185362 383446910 /nfs/dbraw/zinc/44/69/10/383446910.db2.gz IDQWYYIRCWKDFJ-ZYHUDNBSSA-N 1 0 263.772 2.633 10 30 CFEERO Cc1nc(N[C@H]2CCCC[C@@H]2C[NH3+])c(Cl)cc1C#N ZINC000261593346 383523599 /nfs/dbraw/zinc/52/35/99/383523599.db2.gz NACBAKBGKYIPHJ-MFKMUULPSA-N 1 0 278.787 2.845 10 30 CFEERO Cc1nc(N[C@@H]2CCCC[C@@H]2C[NH3+])c(Cl)cc1C#N ZINC000261593347 383524236 /nfs/dbraw/zinc/52/42/36/383524236.db2.gz NACBAKBGKYIPHJ-ZWNOBZJWSA-N 1 0 278.787 2.845 10 30 CFEERO Cc1nc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c(Cl)cc1C#N ZINC000261670004 383540159 /nfs/dbraw/zinc/54/01/59/383540159.db2.gz ZZAPRTHWPNJAER-MWLCHTKSSA-N 1 0 278.787 2.715 10 30 CFEERO N#Cc1cc(NCC2([NH3+])CCCCC2)ccc1[N+](=O)[O-] ZINC000261841240 383568823 /nfs/dbraw/zinc/56/88/23/383568823.db2.gz VSUFYYXAEVSLCT-UHFFFAOYSA-N 1 0 274.324 2.540 10 30 CFEERO CCn1cnnc1C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192011383 130349902 /nfs/dbraw/zinc/34/99/02/130349902.db2.gz NVVNNRVZHJYUJF-UHFFFAOYSA-N 1 0 294.402 2.529 10 30 CFEERO C(#Cc1ccccc1)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000192034293 130355974 /nfs/dbraw/zinc/35/59/74/130355974.db2.gz VNGHTZLQOFMVRN-SFHVURJKSA-N 1 0 291.398 2.867 10 30 CFEERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000192058393 130360852 /nfs/dbraw/zinc/36/08/52/130360852.db2.gz OFPLHXXAMQACSY-GOSISDBHSA-N 1 0 279.387 2.708 10 30 CFEERO C[C@H]1CN(c2cccc(Cl)c2C#N)C[C@H]1[NH+](C)C ZINC000251932050 131132831 /nfs/dbraw/zinc/13/28/31/131132831.db2.gz YVAABUHRFYTQEI-IINYFYTJSA-N 1 0 263.772 2.598 10 30 CFEERO CC1(C)CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000034441417 393517601 /nfs/dbraw/zinc/51/76/01/393517601.db2.gz RHOXYGUNILAFPB-UHFFFAOYSA-N 1 0 283.297 2.765 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1N1CCC(C[NH3+])CC1 ZINC000044514646 393565175 /nfs/dbraw/zinc/56/51/75/393565175.db2.gz REBDLBCZRYNZII-UHFFFAOYSA-N 1 0 283.297 2.752 10 30 CFEERO CCn1c(C)nnc1CN(Cc1ccc(C#N)cc1)C(C)C ZINC000195118279 393731907 /nfs/dbraw/zinc/73/19/07/393731907.db2.gz VEUNMWVUCUWMFC-UHFFFAOYSA-N 1 0 297.406 2.889 10 30 CFEERO Cn1nccc1C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000092810627 393792137 /nfs/dbraw/zinc/79/21/37/393792137.db2.gz GYMJENLKBIOZKM-UHFFFAOYSA-N 1 0 274.412 2.929 10 30 CFEERO CN(C)C(=[NH+]c1cccc(C(F)(F)F)c1)N(C)C ZINC000584656887 397586271 /nfs/dbraw/zinc/58/62/71/397586271.db2.gz FNYZNOSUKAHJHI-UHFFFAOYSA-N 1 0 259.275 2.816 10 30 CFEERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000037018707 172881427 /nfs/dbraw/zinc/88/14/27/172881427.db2.gz KYNYLOZQNBOAEP-PRHODGIISA-N 1 0 265.744 2.524 10 30 CFEERO C#CCCOc1ccc(Br)cc1C[C@H](C)[NH3+] ZINC000037725110 173643908 /nfs/dbraw/zinc/64/39/08/173643908.db2.gz XMWBZDLQCLNZOR-JTQLQIEISA-N 1 0 282.181 2.741 10 30 CFEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000662844000 414619396 /nfs/dbraw/zinc/61/93/96/414619396.db2.gz VVLKBVDTVVAVDD-XSCHDIRWSA-N 1 0 264.413 2.755 10 30 CFEERO CCN(Cc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748253 174393420 /nfs/dbraw/zinc/39/34/20/174393420.db2.gz VIRIPTQOCQNHGT-SJPCQFCGSA-N 1 0 269.392 2.663 10 30 CFEERO COc1cc(C#N)ccc1O[C@H](c1ccco1)[C@H](C)[NH3+] ZINC000043336661 175012713 /nfs/dbraw/zinc/01/27/13/175012713.db2.gz NDSILCOOVDKSSR-BONVTDFDSA-N 1 0 272.304 2.627 10 30 CFEERO CC[C@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)c1cccnc1 ZINC000043349724 175019147 /nfs/dbraw/zinc/01/91/47/175019147.db2.gz XOEUKZGUPPIMHX-JKSUJKDBSA-N 1 0 267.332 2.811 10 30 CFEERO C[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)c1cccnc1 ZINC000043351250 175019927 /nfs/dbraw/zinc/01/99/27/175019927.db2.gz GQRNKORVIBXEBQ-MEBBXXQBSA-N 1 0 271.295 2.560 10 30 CFEERO Cc1ccc([C@H](Oc2ccccc2C#N)[C@H](C)[NH3+])o1 ZINC000043366280 175027068 /nfs/dbraw/zinc/02/70/68/175027068.db2.gz LPLBXSGRJZWDER-XHDPSFHLSA-N 1 0 256.305 2.927 10 30 CFEERO [NH3+]CC#Cc1cccc(OCc2cc(F)ccc2F)c1 ZINC000043459910 175050481 /nfs/dbraw/zinc/05/04/81/175050481.db2.gz IFBGDQYJHKTONR-UHFFFAOYSA-N 1 0 273.282 2.854 10 30 CFEERO CCCOc1ccc(C[C@H](C)[NH3+])c(O[C@@H](C)C#N)c1 ZINC000043518472 175061957 /nfs/dbraw/zinc/06/19/57/175061957.db2.gz MQYSMIBFEZVRPS-RYUDHWBXSA-N 1 0 262.353 2.656 10 30 CFEERO CC[C@@H](C#N)Oc1ccc(C[C@H](C)[NH3+])cc1Cl ZINC000043543690 175064351 /nfs/dbraw/zinc/06/43/51/175064351.db2.gz QXNAXRSLUYSYBO-ONGXEEELSA-N 1 0 252.745 2.911 10 30 CFEERO [NH3+]CC#Cc1ccc(C(=O)N2CCCCCCC2)cc1F ZINC000043582872 175069896 /nfs/dbraw/zinc/06/98/96/175069896.db2.gz MOHVJAGCVUQWRJ-UHFFFAOYSA-N 1 0 288.366 2.542 10 30 CFEERO N#Cc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000043588541 175072705 /nfs/dbraw/zinc/07/27/05/175072705.db2.gz KUBCENMWYXZCKD-LLVKDONJSA-N 1 0 291.782 2.930 10 30 CFEERO CCc1ccc(C(=O)Nc2ccc(C#CC[NH3+])cc2)s1 ZINC000043640332 175084433 /nfs/dbraw/zinc/08/44/33/175084433.db2.gz FJVSAGABNNITIS-UHFFFAOYSA-N 1 0 284.384 2.873 10 30 CFEERO C[C@@H]1C[C@@H](C)C[NH+](Cc2sccc2C#CCCO)C1 ZINC000043679197 175089507 /nfs/dbraw/zinc/08/95/07/175089507.db2.gz XWXRWJMNPVWPAS-ZIAGYGMSSA-N 1 0 277.433 2.960 10 30 CFEERO C[N@H+](Cc1ccc(C#CCO)s1)Cc1ccccc1 ZINC000043679003 175089896 /nfs/dbraw/zinc/08/98/96/175089896.db2.gz TUOJXGCQPDSPKW-UHFFFAOYSA-N 1 0 271.385 2.724 10 30 CFEERO CC[N@H+](Cc1ccc(C#CCCO)s1)C(C)C ZINC000043679417 175090451 /nfs/dbraw/zinc/09/04/51/175090451.db2.gz OHQVWILRKQSZRY-UHFFFAOYSA-N 1 0 251.395 2.712 10 30 CFEERO CC(C)C[N@H+](Cc1sccc1C#CCO)C1CC1 ZINC000043681968 175091063 /nfs/dbraw/zinc/09/10/63/175091063.db2.gz VEPKSQGOZAYGKK-UHFFFAOYSA-N 1 0 263.406 2.712 10 30 CFEERO CC(C)N(Cc1ccc(C#CC[NH3+])s1)CC(F)(F)F ZINC000043684269 175093190 /nfs/dbraw/zinc/09/31/90/175093190.db2.gz CWCDIGNWOZKYIN-UHFFFAOYSA-N 1 0 290.354 2.831 10 30 CFEERO N#Cc1ccc(OCc2cc(C#CC[NH3+])cs2)cc1 ZINC000043689260 175096238 /nfs/dbraw/zinc/09/62/38/175096238.db2.gz LZTQOKRDCJHPQA-UHFFFAOYSA-N 1 0 268.341 2.509 10 30 CFEERO N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CCC[NH2+]C1 ZINC000044503188 175186201 /nfs/dbraw/zinc/18/62/01/175186201.db2.gz OFJRDCAOFYRZNO-SNVBAGLBSA-N 1 0 283.297 2.989 10 30 CFEERO C#CCN1CCC([NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000044729915 175239681 /nfs/dbraw/zinc/23/96/81/175239681.db2.gz DHGLKWRHFWGKGC-CYBMUJFWSA-N 1 0 260.381 2.645 10 30 CFEERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(C#N)c(Cl)c1 ZINC000071190222 176066589 /nfs/dbraw/zinc/06/65/89/176066589.db2.gz XBONNBAQDMJCGK-LLVKDONJSA-N 1 0 263.772 2.600 10 30 CFEERO C=C(C)CN(CC)C(=O)CC[C@H](CC[NH3+])C(C)C ZINC000079254554 177459578 /nfs/dbraw/zinc/45/95/78/177459578.db2.gz KGXFDDZUFPXHOT-CQSZACIVSA-N 1 0 254.418 2.812 10 30 CFEERO Cc1nc(C2CC2)oc1C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000329580151 227616590 /nfs/dbraw/zinc/61/65/90/227616590.db2.gz PPHTZFPKBKBKQM-VXGBXAGGSA-N 1 0 277.368 2.648 10 30 CFEERO CCc1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2C(F)F)cc1 ZINC000263136812 262797437 /nfs/dbraw/zinc/79/74/37/262797437.db2.gz IIXUDUVYIXZNEC-QWRGUYRKSA-N 1 0 253.296 2.629 10 30 CFEERO Cn1cc([C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)cn1 ZINC000120682564 263287700 /nfs/dbraw/zinc/28/77/00/263287700.db2.gz NRJDUWCUZOXWIE-OAHLLOKOSA-N 1 0 299.805 2.915 10 30 CFEERO C[C@@H]1C[C@H]1NC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160676779 264254517 /nfs/dbraw/zinc/25/45/17/264254517.db2.gz JAZDDSCWYWINNU-VXNVDRBHSA-N 1 0 273.258 2.720 10 30 CFEERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000132468088 278314171 /nfs/dbraw/zinc/31/41/71/278314171.db2.gz DYNUNEOIZQZFMO-NXEZZACHSA-N 1 0 283.297 2.751 10 30 CFEERO C=C(Cl)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151104521 327210184 /nfs/dbraw/zinc/21/01/84/327210184.db2.gz CMRMIDDWNQNYNZ-GFCCVEGCSA-N 1 0 251.761 2.568 10 30 CFEERO C=C(Cl)CNC(=[NH+]CC)N(C)Cc1csc(C)n1 ZINC000261635067 329973776 /nfs/dbraw/zinc/97/37/76/329973776.db2.gz CULBEJWVCHZUPO-UHFFFAOYSA-N 1 0 286.832 2.601 10 30 CFEERO CC[NH+]=C(NCCc1nc(C)c(C)s1)N[C@@H]1CC1(C)C ZINC000261783841 329983479 /nfs/dbraw/zinc/98/34/79/329983479.db2.gz PPGNKUFBZRLOQZ-GFCCVEGCSA-N 1 0 294.468 2.656 10 30 CFEERO [NH2+]=C(NCCc1c[nH]c2ncccc12)NC1CCCCCC1 ZINC000262026014 329998520 /nfs/dbraw/zinc/99/85/20/329998520.db2.gz ZKLFYEMOVWQQLB-UHFFFAOYSA-N 1 0 299.422 2.733 10 30 CFEERO CC[NH+]=C(NCCc1cccs1)N[C@@H]1CC1(C)C ZINC000262273459 330003393 /nfs/dbraw/zinc/00/33/93/330003393.db2.gz VFNZEJFEWBFRRX-GFCCVEGCSA-N 1 0 265.426 2.644 10 30 CFEERO CC(C)c1nnc(CNC(=[NH2+])Nc2ccccc2)s1 ZINC000262330574 330006256 /nfs/dbraw/zinc/00/62/56/330006256.db2.gz AWRMXXVRSSGJNM-UHFFFAOYSA-N 1 0 275.381 2.588 10 30 CFEERO CC[NH+]=C(NCc1ccsc1)N[C@@H]1CC1(C)C ZINC000262691010 330027654 /nfs/dbraw/zinc/02/76/54/330027654.db2.gz DYWVIMZSLPIYMA-LLVKDONJSA-N 1 0 251.399 2.602 10 30 CFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H](c2ccccc2C)C1 ZINC000262465879 330015187 /nfs/dbraw/zinc/01/51/87/330015187.db2.gz NPBFONNOOAVOFC-OFQRWUPVSA-N 1 0 271.408 2.768 10 30 CFEERO C[NH+]=C(N[C@@H]1CC1(C)C)N(C)Cc1cccc(OC)c1 ZINC000262530423 330019757 /nfs/dbraw/zinc/01/97/57/330019757.db2.gz IBICOPDHVPJRTL-CQSZACIVSA-N 1 0 275.396 2.501 10 30 CFEERO CC(C)CNC(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262534219 330019943 /nfs/dbraw/zinc/01/99/43/330019943.db2.gz OWZPJDKCXBMPTC-CABZTGNLSA-N 1 0 283.778 2.895 10 30 CFEERO C[C@@H]1CCCN(C(=[NH2+])NCC2(C(F)(F)F)CCC2)C1 ZINC000262639634 330023899 /nfs/dbraw/zinc/02/38/99/330023899.db2.gz HNCCJUMTYIKJDO-SNVBAGLBSA-N 1 0 277.334 2.766 10 30 CFEERO C[NH+]=C(NCCc1ccc2ccccc2n1)NCC1CCC1 ZINC000262704699 330028198 /nfs/dbraw/zinc/02/81/98/330028198.db2.gz JECWGRSDLUWSSY-UHFFFAOYSA-N 1 0 296.418 2.742 10 30 CFEERO C=CCNC(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)=[NH+]C ZINC000262858162 330035606 /nfs/dbraw/zinc/03/56/06/330035606.db2.gz YNYVXWYZMYPYCT-QWRGUYRKSA-N 1 0 277.334 2.706 10 30 CFEERO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H]1CC12CC2 ZINC000263098838 330043532 /nfs/dbraw/zinc/04/35/32/330043532.db2.gz JTTOVUFBRZSCID-LBPRGKRZSA-N 1 0 297.324 2.910 10 30 CFEERO COCc1ccccc1NC(=[NH2+])NCc1ccc(C)c(C)n1 ZINC000263181422 330047683 /nfs/dbraw/zinc/04/76/83/330047683.db2.gz UGOWRAGMXRXAEZ-UHFFFAOYSA-N 1 0 298.390 2.772 10 30 CFEERO C#CCOc1ccc(C[NH2+]Cc2ccco2)cc1OC ZINC000045945900 330349994 /nfs/dbraw/zinc/34/99/94/330349994.db2.gz CTRNRWSQSNHKLX-UHFFFAOYSA-N 1 0 271.316 2.590 10 30 CFEERO C=CCCCCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000193336203 333248444 /nfs/dbraw/zinc/24/84/44/333248444.db2.gz MGXBJYLUYRKRAT-HZPDHXFCSA-N 1 0 268.445 2.510 10 30 CFEERO C=CCCC[C@H](C)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245872805 334222459 /nfs/dbraw/zinc/22/24/59/334222459.db2.gz SBSKLKSDAKOSQJ-QLFBSQMISA-N 1 0 281.444 2.759 10 30 CFEERO C=CCCCCC[N@@H+]1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000248732913 334315077 /nfs/dbraw/zinc/31/50/77/334315077.db2.gz MGXBJYLUYRKRAT-HOTGVXAUSA-N 1 0 268.445 2.510 10 30 CFEERO